flow_filelinking.yaml                                                                               0000644 0000000 0000000 00000010411 14572074155 013771  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   - parameter: input_spectra
  target: input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML
- parameter: input_libraries
  target: input_libraries/MMV_POSITIVE.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf
- parameter: input_libraries
  target: input_libraries/BMDMS-NP.mgf
- parameter: input_libraries
  target: input_libraries/LEAFBOT.mgf
- parameter: input_libraries
  target: input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf
- parameter: input_libraries
  target: input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/RESPECT.mgf
- parameter: input_libraries
  target: input_libraries/MIADB.mgf
- parameter: input_libraries
  target: input_libraries/NEO-MSMS.mgf
- parameter: input_libraries
  target: input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf
- parameter: input_libraries
  target: input_libraries/CASMI.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf
- parameter: input_libraries
  target: input_libraries/PSU-MSMLS.mgf
- parameter: input_libraries
  target: input_libraries/IQAMDB.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf
- parameter: input_libraries
  target: input_libraries/XANTHONES-DB.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/HMDB.mgf
- parameter: input_libraries
  target: input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf
- parameter: input_libraries
  target: input_libraries/MMV_NEGATIVE.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf
- parameter: input_libraries
  target: input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/MASSBANK.mgf
- parameter: input_libraries
  target: input_libraries/BILELIB19.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-IOBA-NHC.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-MSMLS.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-EMBL-MCF.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/MONA.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/PNNL-LIPIDS-POSITIVE.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf
- parameter: input_libraries
  target: input_libraries/UM-NPDC.mgf
- parameter: input_libraries
  target: input_libraries/LDB_POSITIVE.mgf
- parameter: input_libraries
  target: input_libraries/MASSBANKEU.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-COLLECTIONS-MISC.mgf
- parameter: input_libraries
  target: input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIST14-MATCHES.mgf
- parameter: input_libraries
  target: input_libraries/PNNL-LIPIDS-NEGATIVE.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-FAULKNERLEGACY.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf
- parameter: input_libraries
  target: input_libraries/BERKELEY-LAB.mgf
- parameter: input_libraries
  target: input_libraries/SUMNER.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf
- parameter: input_libraries
  target: input_libraries/LDB_NEGATIVE.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf
- parameter: input_libraries
  target: input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf
- parameter: input_libraries
  target: input_libraries/GNPS-SCIEX-LIBRARY.mgf
                                                                                                                                                                                                                                                       input_libraries/                                                                                    0000755 0000000 0000000 00000000000 14572074155 012761  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf                                                        0000777 0000000 0000000 00000000000 14572074155 034463  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgf                  ustar   root                            root                                                                                                                                                                                                                   input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf                                                         0000777 0000000 0000000 00000000000 14572074155 034207  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgf                   ustar   root                            root                                                                                                                                                                                                                   input_libraries/CASMI.mgf                                                                           0000777 0000000 0000000 00000000000 14572074155 027253  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgf                                     ustar   root                            root                                                                                                                                                                                                                   ././@LongLink                                                                                       0000644 0000000 0000000 00000000152 00000000000 011600  K                                                                                                    ustar   root                            root                                                                                                                                                                                                                   /data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf                                                                                                                                                                                                                                                                                                                                                                                                                       input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf                                 0000777 0000000 0000000 00000000000 14572074155 042734  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar   root                            root                                                                                                                                                                                                                   input_libraries/PNNL-LIPIDS-NEGATIVE.mgf                                                            0000777 0000000 0000000 00000000000 14572074155 033445  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgf                      ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-FAULKNERLEGACY.mgf                                                             0000777 0000000 0000000 00000000000 14572074155 033265  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgf                       ustar   root                            root                                                                                                                                                                                                                   input_libraries/UM-NPDC.mgf                                                                         0000777 0000000 0000000 00000000000 14572074155 027671  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgf                                   ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-NIST14-MATCHES.mgf                                                             0000777 0000000 0000000 00000000000 14572074155 033105  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgf                       ustar   root                            root                                                                                                                                                                                                                   input_libraries/HMDB.mgf                                                                            0000777 0000000 0000000 00000000000 14572074155 027007  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgf                                      ustar   root                            root                                                                                                                                                                                                                   input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf                                                          0000777 0000000 0000000 00000000000 14572074155 034035  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgf                    ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-COLLECTIONS-MISC.mgf                                                           0000777 0000000 0000000 00000000000 14572074155 033713  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgf                     ustar   root                            root                                                                                                                                                                                                                   input_libraries/IQAMDB.mgf                                                                          0000777 0000000 0000000 00000000000 14572074155 027455  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgf                                    ustar   root                            root                                                                                                                                                                                                                   input_libraries/BERKELEY-LAB.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031157  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgf                              ustar   root                            root                                                                                                                                                                                                                   input_libraries/LDB_NEGATIVE.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031331  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgf                              ustar   root                            root                                                                                                                                                                                                                   ././@LongLink                                                                                       0000644 0000000 0000000 00000000152 00000000000 011600  K                                                                                                    ustar   root                            root                                                                                                                                                                                                                   /data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf                                                                                                                                                                                                                                                                                                                                                                                                                       input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf                                 0000777 0000000 0000000 00000000000 14572074155 043034  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-LIBRARY.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031305  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgf                              ustar   root                            root                                                                                                                                                                                                                   input_libraries/PNNL-LIPIDS-POSITIVE.mgf                                                            0000777 0000000 0000000 00000000000 14572074155 033545  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgf                      ustar   root                            root                                                                                                                                                                                                                   input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf                                                          0000777 0000000 0000000 00000000000 14572074155 033755  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgf                    ustar   root                            root                                                                                                                                                                                                                   input_libraries/MASSBANKEU.mgf                                                                      0000777 0000000 0000000 00000000000 14572074155 030645  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgf                                ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf                                                      0000777 0000000 0000000 00000000000 14572074155 034767  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgf                ustar   root                            root                                                                                                                                                                                                                   input_libraries/LDB_POSITIVE.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031431  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgf                              ustar   root                            root                                                                                                                                                                                                                   input_libraries/MIADB.mgf                                                                           0000777 0000000 0000000 00000000000 14572074155 027213  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgf                                     ustar   root                            root                                                                                                                                                                                                                   input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf                                            0000777 0000000 0000000 00000000000 14572074155 040151  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf      ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-IOBA-NHC.mgf                                                                   0000777 0000000 0000000 00000000000 14572074155 031335  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgf                             ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf                                                        0000777 0000000 0000000 00000000000 14572074155 034403  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgf                  ustar   root                            root                                                                                                                                                                                                                   ././@LongLink                                                                                       0000644 0000000 0000000 00000000150 00000000000 011576  K                                                                                                    ustar   root                            root                                                                                                                                                                                                                   /data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf                                                                                                                                                                                                                                                                                                                                                                                                                         input_libraries/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf                                   0000777 0000000 0000000 00000000000 14572074155 042145  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf                                                    0000777 0000000 0000000 00000000000 14572074155 035555  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgf              ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-EMBL-MCF.mgf                                                                   0000777 0000000 0000000 00000000000 14572074155 031341  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgf                             ustar   root                            root                                                                                                                                                                                                                   input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf                                                         0000777 0000000 0000000 00000000000 14572074155 034267  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgf                   ustar   root                            root                                                                                                                                                                                                                   input_libraries/BMDMS-NP.mgf                                                                        0000777 0000000 0000000 00000000000 14572074155 030115  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgf                                  ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf                                            0000777 0000000 0000000 00000000000 14572074155 040215  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf      ustar   root                            root                                                                                                                                                                                                                   input_libraries/XANTHONES-DB.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031247  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgf                              ustar   root                            root                                                                                                                                                                                                                   input_libraries/BILELIB19.mgf                                                                       0000777 0000000 0000000 00000000000 14572074155 030213  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgf                                 ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-MSMLS.mgf                                                                      0000777 0000000 0000000 00000000000 14572074155 030663  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgf                                ustar   root                            root                                                                                                                                                                                                                   input_libraries/SUMNER.mgf                                                                          0000777 0000000 0000000 00000000000 14572074155 027605  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgf                                    ustar   root                            root                                                                                                                                                                                                                   input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf                                                  0000777 0000000 0000000 00000000000 14572074155 035631  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf            ustar   root                            root                                                                                                                                                                                                                   input_libraries/MMV_NEGATIVE.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031425  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgf                              ustar   root                            root                                                                                                                                                                                                                   input_libraries/LEAFBOT.mgf                                                                         0000777 0000000 0000000 00000000000 14572074155 027713  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgf                                   ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf                                                    0000777 0000000 0000000 00000000000 14572074155 035553  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgf              ustar   root                            root                                                                                                                                                                                                                   input_libraries/RESPECT.mgf                                                                         0000777 0000000 0000000 00000000000 14572074155 027775  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgf                                   ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf                                                     0000777 0000000 0000000 00000000000 14572074155 035213  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgf               ustar   root                            root                                                                                                                                                                                                                   input_libraries/PSU-MSMLS.mgf                                                                       0000777 0000000 0000000 00000000000 14572074155 030463  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgf                                 ustar   root                            root                                                                                                                                                                                                                   input_libraries/NEO-MSMS.mgf                                                                        0000777 0000000 0000000 00000000000 14572074155 030157  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgf                                  ustar   root                            root                                                                                                                                                                                                                   input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf                                                  0000777 0000000 0000000 00000000000 14572074155 035523  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf            ustar   root                            root                                                                                                                                                                                                                   input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf                                                 0000777 0000000 0000000 00000000000 14572074155 037035  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf           ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf                                                 0000777 0000000 0000000 00000000000 14572074155 036763  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf           ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf                                                      0000777 0000000 0000000 00000000000 14572074155 034765  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgf                ustar   root                            root                                                                                                                                                                                                                   input_libraries/MMV_POSITIVE.mgf                                                                    0000777 0000000 0000000 00000000000 14572074155 031525  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgf                              ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf                                                         0000777 0000000 0000000 00000000000 14572074155 034565  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgf                   ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-SCIEX-LIBRARY.mgf                                                              0000777 0000000 0000000 00000000000 14572074155 033027  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgf                        ustar   root                            root                                                                                                                                                                                                                   input_libraries/MASSBANK.mgf                                                                        0000777 0000000 0000000 00000000000 14572074155 030161  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgf                                  ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf                                            0000777 0000000 0000000 00000000000 14572074155 040115  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf      ustar   root                            root                                                                                                                                                                                                                   input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf                                                0000777 0000000 0000000 00000000000 14572074155 036551  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf          ustar   root                            root                                                                                                                                                                                                                   input_libraries/MONA.mgf                                                                            0000777 0000000 0000000 00000000000 14572074155 027047  2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgf                                      ustar   root                            root                                                                                                                                                                                                                   input_spectra/                                                                                      0000755 0000000 0000000 00000000000 14572074155 012446  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   ././@LongLink                                                                                       0000644 0000000 0000000 00000000147 00000000000 011604  K                                                                                                    ustar   root                            root                                                                                                                                                                                                                   /data/nf_data/useruploads/CGeibel/Producer and Control sheets spotter/Prod4_s_erythr_EE_YMG_1week.mzML                                                                                                                                                                                                                                                                                                                                                                                                                          input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML                                                      0000777 0000000 0000000 00000000000 14572074155 043064  2/data/nf_data/useruploads/CGeibel/Producer and Control sheets spotter/Prod4_s_erythr_EE_YMG_1week.mzustar   root                            root                                                                                                                                                                                                                   job_dag.html                                                                                        0000644 0000000 0000000 00000022113 14572074607 012042  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
    
        Nextflow Cytoscape.js with Dagre 
        Nextflow Cytoscape.js with Dagre 
        
    
                                                                                                                                                                                                                                                                                                                                                                                                                                                     job_parameters.yaml                                                                                 0000644 0000000 0000000 00000002316 14572074155 013451  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   OMETAFLOW_SERVER: http://ometaflow-launchserver:4000
OMETALIBRARY_SERVER: http://ometalibrary-web:5000/library
OMETAMASST_SERVER: http://ometamasst-web:5000/masst
OMETATASK: 0df811f274154242a7b349ac5e8d4b91
OMETAUSER: CGeibel
create_time: 2024-03-06 06:07:21 PST-0800
description: Prod_4
fragment_tolerance: '0.02'
input_libraries: /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/input_libraries
input_spectra: /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/input_spectra
library_analog_search: '0'
library_min_cosine: '0.7'
library_min_matched_peaks: '6'
library_topk: '1'
massql_filter: None
metadata_filename: NO_FILE
metadata_per_file_grouping: 'No'
min_cluster_size: '2'
min_peak_intensity: '0.0'
networking_max_shift: '1999'
networking_min_cosine: '0.7'
networking_min_matched_peaks: '6'
outdir: /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91
pm_tolerance: '0.02'
precursor_filter: 'yes'
redu_metadata_integration: 'No'
task: 0df811f274154242a7b349ac5e8d4b91
topology: classic
topology_cliquemincosine: '0.7'
topology_maxcomponent: '100'
topology_topk: '10'
usi: ''
window_filter: 'yes'
workflow_version: SERVER:0.1.2;WORKFLOW:0.5.8
workflowname: classical_networking_workflow
                                                                                                                                                                                                                                                                                                                  job_report.html                                                                                     0000644 0000000 0000000 00013640137 14572074607 012642  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  [insane_austin] Nextflow Workflow Report 
  
  
    
       
    
       
    
   
  
    
      Nextflow workflow report 
      [insane_austin]  
              Workflow execution completed successfully!
          
      
      
        Run times 
        
          06-Mar-2024 14:07:24  - 06-Mar-2024 14:12:03 
          (4m 39s )
         
        
          
              122 succeeded   
              0 cached   
              0 ignored   
              0 failed   
           
         
        Nextflow command 
        nextflow run /app/workflows_user/classical_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_parameters.yaml -w /data/nf_data/server/nf_work/0df811f274154242a7b349ac5e8d4b91 -with-report /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_report.html -with-timeline /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/0df811f274154242a7b349ac5e8d4b91' -c /app/launchserver/nextflow.config 
      
        CPU-Hours 
        0.2 Launch directory 
        /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91 Work directory 
        /data/nf_data/server/nf_work/0df811f274154242a7b349ac5e8d4b91 Project directory 
        /app/workflows_user/classical_networking_workflow Script name 
          nf_workflow.nf Script ID 
          90dd3383abd7c79cdea2a452cda7ddb6Workflow session 
        e2f3e93c-f286-4bc1-abbc-a7387d5d36d4Workflow profile 
        standard 
        
        Nextflow version 
        version 21.10.0, build 5640 (11-11-2021 18:27 UTC) 
       
     
   
  
    Resource Usage 
    These plots give an overview of the distribution of resource usage for each process.
    CPU 
    
    
    Memory 
    
    
    
    
    
    
    
    
   
  
    
      Tasks 
      This table shows information about each task in the workflow. Use the search box on the right
        to filter rows for specific values. Clicking headers will sort the table by that value and
        scrolling side to side will reveal more columns.
      
     
    
    
      (tasks table omitted because the dataset is too big)
    
   
  
  
                                                                                                                                                                                                                                                                                                                                                                                                                                 job_timeline.html                                                                                   0000644 0000000 0000000 00001063521 14572074607 013126  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  Processes execution timeline 
  
    Launch time:       
  
  
 
                                                                                                                                                                               metadata_filename/                                                                                  0000755 0000000 0000000 00000000000 14572074155 013206  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nextflow_stdout.log                                                                                 0000644 0000000 0000000 00000173670 14572074607 013561  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   N E X T F L O W  ~  version 21.10.0
Launching `/app/workflows_user/classical_networking_workflow/nf_workflow.nf` [insane_austin] - revision: 90dd3383ab
[-        ] process > prepInputFiles -
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executor >  local (5)
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executor >  local (23)
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executor >  local (39)
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[-        ] process > filesummary               -
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[-        ] process > splitNetworkComponents    -
executor >  local (56)
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[-        ] process > splitNetworkComponents    -
executor >  local (56)
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[2c/36edda] process > createMetadataFile (1)    [100%] 1 of 1 ✔
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[-        ] process > splitNetworkComponents    -
executor >  local (56)
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[-        ] process > splitNetworkComponents    -
executor >  local (57)
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executor >  local (58)
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[c3/db2237] process > summaryLibrary (43)       [ 72%] 39 of 54
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executor >  local (58)
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executor >  local (58)
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executor >  local (58)
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executor >  local (58)
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executor >  local (58)
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executor >  local (58)
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executor >  local (58)
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[dd/01aba6] process > summaryLibrary (54)       [100%] 54 of 54 ✔
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[-        ] process > splitNetworkComponents    -
executor >  local (66)
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[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
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executor >  local (91)
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[-        ] process > splitNetworkComponents       -
executor >  local (114)
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[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
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[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
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[-        ] process > splitNetworkComponents       -
executor >  local (114)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
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[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
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executor >  local (115)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
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[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
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[dc/1d33c0] process > calculatePairs (1)           [  0%] 0 of 1
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executor >  local (115)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
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[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[2e/7ed697] process > librarySearchData (15)       [  0%] 0 of 54
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[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [  0%] 0 of 1
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[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
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[-        ] process > enrichClusterSummary         -
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[-        ] process > splitNetworkComponents       -
executor >  local (115)
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[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[1a/22d27f] process > librarySearchData (32)       [  7%] 4 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [  0%] 0 of 1
[-        ] process > filterNetwork                -
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (115)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[74/7c1a16] process > librarySearchData (36)       [ 20%] 11 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [  0%] 0 of 1
[-        ] process > filterNetwork                -
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (116)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[e9/7a235d] process > librarySearchData (52)       [ 42%] 23 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [  0%] 0 of 1
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (116)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[77/6c5a14] process > librarySearchData (45)       [ 46%] 25 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [  0%] 0 of 1
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (116)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[ce/cb8717] process > librarySearchData (7)        [ 53%] 29 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [  0%] 0 of 1
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (116)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[0e/077fdb] process > librarySearchData (27)       [ 55%] 30 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [  0%] 0 of 1
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (116)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[93/f53062] process > librarySearchData (29)       [ 57%] 31 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [  0%] 0 of 1
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (116)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[99/9c4804] process > librarySearchData (25)       [ 59%] 32 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [  0%] 0 of 1
[-        ] process > enrichNetworkEdges           -
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[99/9c4804] process > librarySearchData (25)       [ 59%] 32 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [  0%] 0 of 1
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[5c/a72096] process > librarySearchData (49)       [ 64%] 35 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [  0%] 0 of 1
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[94/827ec2] process > librarySearchData (44)       [ 66%] 36 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [  0%] 0 of 1
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[ac/d6d676] process > librarySearchData (39)       [ 68%] 37 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [  0%] 0 of 1
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[00/a87a49] process > librarySearchData (13)       [ 70%] 38 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [  0%] 0 of 1
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[84/bd209a] process > librarySearchData (22)       [ 72%] 39 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[e6/0de62c] process > librarySearchData (31)       [ 74%] 40 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[10/57de51] process > librarySearchData (14)       [ 75%] 41 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[60/23cd17] process > librarySearchData (21)       [ 77%] 42 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[e4/7cba26] process > librarySearchData (20)       [ 79%] 43 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[d4/a2d1dc] process > librarySearchData (47)       [ 81%] 44 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[38/90d688] process > librarySearchData (9)        [ 83%] 45 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[39/29e209] process > librarySearchData (51)       [ 85%] 46 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[eb/033142] process > librarySearchData (30)       [ 87%] 47 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[af/6a6e44] process > librarySearchData (17)       [ 88%] 48 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[78/cd1ff5] process > librarySearchData (33)       [ 90%] 49 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[d7/502442] process > librarySearchData (46)       [ 92%] 50 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[e8/173a72] process > librarySearchData (26)       [ 94%] 51 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[2e/7ed697] process > librarySearchData (15)       [ 96%] 52 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[6d/a05ea8] process > librarySearchData (16)       [ 98%] 53 of 54
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (117)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)       [100%] 54 of 54 ✔
[-        ] process > librarymergeResults          -
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (118)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)       [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults          [  0%] 0 of 1
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (118)
[4e/32d68b] process > prepInputFiles (1)           [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)              [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)       [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults          [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)          [100%] 54 of 54 ✔
[-        ] process > librarygetGNPSAnnotations    -
[51/c2d78c] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)           [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)            [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)       [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)       [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)       [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary         -
[-        ] process > createNetworkGraphML         -
[-        ] process > splitNetworkComponents       -
executor >  local (119)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [  0%] 0 of 1
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[-        ] process > enrichClusterSummary          -
[-        ] process > createNetworkGraphML          -
[-        ] process > splitNetworkComponents        -
executor >  local (120)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [  0%] 0 of 1
[-        ] process > createNetworkGraphML          -
[-        ] process > splitNetworkComponents        -
executor >  local (120)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [  0%] 0 of 1
[-        ] process > createNetworkGraphML          -
[-        ] process > splitNetworkComponents        -
executor >  local (121)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [100%] 1 of 1 ✔
[67/e9a2dd] process > createNetworkGraphML (1)      [  0%] 0 of 1
[-        ] process > splitNetworkComponents        -
executor >  local (121)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [100%] 1 of 1 ✔
[67/e9a2dd] process > createNetworkGraphML (1)      [  0%] 0 of 1
[-        ] process > splitNetworkComponents        -
executor >  local (122)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [100%] 1 of 1 ✔
[67/e9a2dd] process > createNetworkGraphML (1)      [100%] 1 of 1 ✔
[97/04c0aa] process > splitNetworkComponents (1)    [  0%] 0 of 1
executor >  local (122)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [100%] 1 of 1 ✔
[67/e9a2dd] process > createNetworkGraphML (1)      [100%] 1 of 1 ✔
[97/04c0aa] process > splitNetworkComponents (1)    [100%] 1 of 1 ✔
executor >  local (122)
[4e/32d68b] process > prepInputFiles (1)            [100%] 1 of 1 ✔
[02/2e05c0] process > filesummary (1)               [100%] 1 of 1 ✔
[ca/6f0a9e] process > mscluster (1)                 [100%] 1 of 1 ✔
[2d/82309b] process > librarySearchData (54)        [100%] 54 of 54 ✔
[85/5eac54] process > librarymergeResults           [100%] 1 of 1 ✔
[dd/01aba6] process > summaryLibrary (54)           [100%] 54 of 54 ✔
[17/fa1996] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[51/c2d78c] process > networkingGNPSPrepParams (1)  [100%] 1 of 1 ✔
[dc/1d33c0] process > calculatePairs (1)            [100%] 1 of 1 ✔
[7c/5d3e25] process > filterNetwork (1)             [100%] 1 of 1 ✔
[4d/beb433] process > enrichNetworkEdges (1)        [100%] 1 of 1 ✔
[2c/36edda] process > createMetadataFile (1)        [100%] 1 of 1 ✔
[b3/189370] process > calculateGroupings (1)        [100%] 1 of 1 ✔
[b5/cb40cc] process > enrichClusterSummary (1)      [100%] 1 of 1 ✔
[67/e9a2dd] process > createNetworkGraphML (1)      [100%] 1 of 1 ✔
[97/04c0aa] process > splitNetworkComponents (1)    [100%] 1 of 1 ✔
Completed at: 06-Mar-2024 14:12:04
Duration    : 4m 40s
CPU hours   : 0.2
Succeeded   : 122
                                                                        nf_cmd.sh                                                                                           0000644 0000000 0000000 00000001163 14572074155 011351  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nextflow run /app/workflows_user/classical_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_parameters.yaml -w /data/nf_data/server/nf_work/0df811f274154242a7b349ac5e8d4b91 -with-report /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_report.html -with-timeline /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_dag.html -with-weblog http://localhost:4000/nf_weblog/0df811f274154242a7b349ac5e8d4b91 -c /app/launchserver/nextflow.config                                                                                                                                                                                                                                                                                                                                                                                                             nf_output/                                                                                          0000755 0000000 0000000 00000000000 14572074602 011606  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/library/                                                                                  0000755 0000000 0000000 00000000000 14572074602 013252  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/library/merged_results_with_gnps.tsv                                                      0000644 0000000 0000000 00000056270 14572074602 021130  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   SpectrumID	#Scan#	SpectrumFile	LibraryName	MQScore	TIC_Query	RT_Query	MZErrorPPM	SharedPeaks	MassDiff	SpecMZ	SpecCharge	FileScanUniqueID	NumberHits	Compound_Name	Ion_Source	Instrument	Compound_Source	PI	Data_Collector	Adduct	Precursor_MZ	ExactMass	Charge	CAS_Number	Pubmed_ID	Smiles	INCHI	INCHI_AUX	Library_Class	IonMode	Organism	LibMZ	UpdateWorkflowName	LibraryQualityString	tags	molecular_formula	InChIKey	InChIKey-Planar	superclass	class	subclass	npclassifier_superclass	npclassifier_class	npclassifier_pathway
CCMSLIB00010103132	227	specs_ms.mgf	BERKELEY-LAB.mgf	0.979457	1982.01	0	0.0	6	0.0	252.109	1	temp/specs_ms.mgf227	1	2'-deoxyadenosine CollisionEnergy:102040	LC-ESI	Orbitrap	Commercial	Trent Northen	JGI	M+H	252.109	0.0	1	N/A	N/A	Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	"""InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1"""	N/A	3	Positive	BERKELEY-LAB	252.109	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C10H13N5O3	OLXZPDWKRNYJJZ-RRKCRQDMSA-N	OLXZPDWKRNYJJZ	Nucleosides, nucleotides, and analogues	Purine nucleosides	Purine 2'-deoxyribonucleosides	Nucleosides	Purine nucleos(t)ides	Carbohydrates
CCMSLIB00003139914	647	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.977828	1987.02	0	2.9682	11	0.00100708	339.289	1	temp/specs_ms.mgf647	1	Spectral Match to Monoelaidin from NIST14	ESI	qTof	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H-H2O	339.29	356.293	1	2716532	N/A	CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+	N/A	3	Positive	GNPS-NIST14-MATCHES	339.29	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C21H40O4	RZRNAYUHWVFMIP-MDZDMXLPSA-N	RZRNAYUHWVFMIP	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	Glycerolipids	Monoacylglycerols	Fatty acids
CCMSLIB00003136587	1795	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.976271	11964.7	0	0.0	8	0.0	732.553	1	temp/specs_ms.mgf1795	1	Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	732.553	0.0	1	95896563	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	732.553	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003135444	1863	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.972342	53975.5	0	3.8021	6	0.00299072	786.6	1	temp/specs_ms.mgf1863	1	Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Pieter Dorrestein	Data deposited by daniel	M+H	786.597	785.594	1	27098244	N/A	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1	N/A	3	Positive	GNPS-NIST14-MATCHES	786.597	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	FORFDCPQKJHEBF-VPUSDGANSA-N	FORFDCPQKJHEBF	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	N/A	N/A	N/A
CCMSLIB00003137100	246	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.971838	1992.1	0	0.0	10	0.0	256.263	1	temp/specs_ms.mgf246	1	Spectral Match to Palmitamide from NIST14	ESI	qTof	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	256.263	255.256	1	629549	N/A	CCCCCCCCCCCCCCCC(=O)N	InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)	N/A	3	Positive	GNPS-NIST14-MATCHES	256.263	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C16H33NO	HSEMFIZWXHQJAE-UHFFFAOYSA-N	HSEMFIZWXHQJAE	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	Fatty amides	Primary amides	Fatty acids
CCMSLIB00003140150	1831	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.971015	54983.6	0	3.9426	6	0.00299072	758.57	1	temp/specs_ms.mgf1831	1	Spectral Match to 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine from NIST14	ESI	Q-TOF	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	758.567	0.0	1	130614061	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	758.567	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003137838	1813	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.970896	6944.59	0	8.01186	7	0.00598145	746.568	1	temp/specs_ms.mgf1813	1	Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	746.574	0.0	1	95403342	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	746.574	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003134571	1844	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.967694	42902.5	0	3.87105	7	0.00299072	772.583	1	temp/specs_ms.mgf1844	1	Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	772.586	771.614	1	799268636	N/A	CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1	N/A	3	Positive	GNPS-NIST14-MATCHES	772.586	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	DSWOVBIRJNAJAF-NVJOKYTBSA-N	DSWOVBIRJNAJAF	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	N/A	N/A	N/A
CCMSLIB00003134771	1814	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.963442	17901.9	0	25.4249	6	0.0189819	746.607	1	temp/specs_ms.mgf1814	1	Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	746.588	745.599	1	95403342	N/A	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1	N/A	3	Positive	GNPS-NIST14-MATCHES	746.588	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	SIEDNCDNGMIKST-IYEJTHTFSA-N	SIEDNCDNGMIKST	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	N/A	N/A	N/A
CCMSLIB00003136108	1797	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.963007	30840.2	0	1.32944	7	0.000976562	734.569	1	temp/specs_ms.mgf1797	1	Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	734.568	0.0	1	20664022	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	734.568	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003138207	1887	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.959301	42883.3	0	0.0	10	0.0	810.6	1	temp/specs_ms.mgf1887	1	Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Kevin Bush	Data deposited by fevargas	M+H	810.6	0.0	1	35418598	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	810.6	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003138526	1313	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.949017	2000.0	0	9.58129	7	0.00500488	522.355	1	temp/specs_ms.mgf1313	1	Spectral Match to 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	522.36	0.0	1	19420565	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	522.36	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003138952	1861	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.948579	32982.2	0	2.57378	9	0.00201416	782.57	1	temp/specs_ms.mgf1861	1	Spectral Match to 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+Na	782.568	759.578	1	26853316	N/A	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1	N/A	3	Positive	GNPS-NIST14-MATCHES	782.568	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	WTJKGGKOPKCXLL-VYOBOKEXSA-N	WTJKGGKOPKCXLL	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines	N/A	N/A	N/A
CCMSLIB00003137749	194	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.930114	2936.84	0	0.0	6	0.0	245.129	1	temp/specs_ms.mgf194	1	Spectral Match to Phe-Pro from NIST14	ESI	Q-TOF	Isolated	Data from Pieter Dorrestein	Data deposited by lfnothias	M+H-H2O	245.129	0.0	1	N/A	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	245.129	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003138155	1192	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.929561	1987.37	0	6.20069	8	0.00299072	482.324	1	temp/specs_ms.mgf1192	1	Spectral Match to 1-Pentadecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Piel	Data deposited by eriche	M+H	482.321	0.0	1	108273898	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	482.321	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003139498	389	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.925303	2804.86	0	17.4969	7	0.00497437	284.295	1	temp/specs_ms.mgf389	1	Spectral Match to Octadecanamide from NIST14	ESI	QqQ	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	284.3	0.0	1	124265	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	284.3	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003136526	243	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.915859	1828.78	0	0.0	9	0.0	255.232	1	temp/specs_ms.mgf243	1	Spectral Match to cis-9-Hexadecenoic acid from NIST14	ESI	qTof	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	255.232	254.225	1	373499	N/A	CCCCCC/C=C\CCCCCCCC(=O)O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-	N/A	3	Positive	GNPS-NIST14-MATCHES	255.232	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C16H30O2	SECPZKHBENQXJG-FPLPWBNLSA-N	SECPZKHBENQXJG	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Fatty Acids and Conjugates	Unsaturated fatty acids	Fatty acids
CCMSLIB00011427902	786	specs_ms.mgf	LEAFBOT.mgf	0.908153	12763.2	0	2.71377	6	0.00100708	371.101	1	temp/specs_ms.mgf786	1	CAMPTOTHECIN	ESI	Orbitrap	Commercial	Cech	Vicky Anderson	M+Na	371.1	348.111	1	2114454	N/A	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	"""InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3"""	N/A	1	Positive	LEAFBOT	371.1	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C20H16N2O4	VSJKWCGYPAHWDS-UHFFFAOYSA-N	VSJKWCGYPAHWDS	N/A	N/A	N/A	Tryptophan alkaloids	Pyrroloquinoline alkaloids	Alkaloids
CCMSLIB00000207364	1820	specs_ms.mgf	MASSBANK.mgf	0.907132	2982.25	0	1.30472	6	0.000976562	748.485	1	temp/specs_ms.mgf1820	1	Massbank:EA019109 Clarithromycin|6-O-Methylerythromycin|(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-	ESI	LC-ESI-ITFT	Isolated	Putative Massbank Match	Massbank	[M+H]+	748.484	0.0	1	81103-11-9	N/A	CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1	N/A	3	Positive	MASSBANK	748.484	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C38H69NO13	AGOYDEPGAOXOCK-AVDMLEEESA-N	AGOYDEPGAOXOCK	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Macrolides	Erythromycins	Polyketides
CCMSLIB00010085793	1888	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.898718	10947.9	0	2.47861	6	0.00201416	812.615	1	temp/specs_ms.mgf1888	1	PC(18:0/20:3); [M+H]+ C46H87N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	812.617	0.0	1	N/A	N/A	N/A	N/A	N/A	1	Positive	PNNL-LIPIDS-POSITIVE	812.617	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003139075	1319	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.896324	6722.38	0	7.56586	8	0.00396729	524.371	1	temp/specs_ms.mgf1319	1	Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	524.367	0.0	1	19420576	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	524.367	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00010084506	1835	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.889384	1998.16	0	7.92352	7	0.00604248	762.595	1	temp/specs_ms.mgf1835	1	PC(16:0/18:0); [M+H]+ C42H85N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	762.601	0.0	1	N/A	N/A	N/A	N/A	N/A	1	Positive	PNNL-LIPIDS-POSITIVE	762.601	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00010094563	1912	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.884351	46888.8	0	0.0	7	0.0	834.601	1	temp/specs_ms.mgf1912	1	PC(18:0/22:6); [M+H]+ C48H85N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	834.601	0.0	1	N/A	N/A	N/A	N/A	N/A	1	Positive	PNNL-LIPIDS-POSITIVE	834.601	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00006117162	1796	specs_ms.mgf	BIRMINGHAM-UHPLC-MS-POS.mgf	0.88187	6895.62	0	1.32962	7	0.000976562	734.468	1	temp/specs_ms.mgf1796	1	(-)-Erythromycin - 40.0 eV	ESI	Orbitrap	Isolated	PI	Data Collector	M+H	734.469	0.0	1		N/A	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1	N/A	1	Positive	BIRMINGHAM-UHPLC-MS-POS	734.469	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C37H67NO13	ULGZDMOVFRHVEP-RWJQBGPGSA-N	ULGZDMOVFRHVEP	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Macrolides	Erythromycins	Polyketides
CCMSLIB00010090977	1878	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.879997	42940.9	0	2.51576	6	0.00201416	800.615	1	temp/specs_ms.mgf1878	1	PC(18:2/19:0); [M+H]+ C45H87N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	800.617	0.0	1	N/A	N/A	N/A	N/A	N/A	1	Positive	PNNL-LIPIDS-POSITIVE	800.617	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00010064819	1875	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.878044	23930.0	0	0.0	6	0.0	796.586	1	temp/specs_ms.mgf1875	1	PC(17:0/20:4); [M+H]+ C45H83N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	796.586	0.0	1	N/A	N/A	N/A	N/A	N/A	1	Positive	PNNL-LIPIDS-POSITIVE	796.586	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003137023	355	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.866895	1782.05	0	0.0	7	0.0	277.216	1	temp/specs_ms.mgf355	1	Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H-H2O	277.216	0.0	1	54739309	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	277.216	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00006581635	182	specs_ms.mgf	GNPS-SCIEX-LIBRARY.mgf	0.86015	5591.72	0	0.0	6	0.0	243.232	1	temp/specs_ms.mgf182	1	pentadecanoic acid	LC-ESI	qTof	Commercial	Michael Witting	Michael Witting	[M+H]+	243.232	242.225	1	N/A	N/A	CCCCCCCCCCCCCCC(O)=O	"""InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)"""	WQEPLUUGTLDZJY-UHFFFAOYSA-N	1	Positive	GNPS-SCIEX-LIBRARY	243.232	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C15H30O2	WQEPLUUGTLDZJY-UHFFFAOYSA-N	WQEPLUUGTLDZJY	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Fatty Acids and Conjugates	Branched fatty acids|Unsaturated fatty acids	Fatty acids
CCMSLIB00005739084	43	specs_ms.mgf	MASSBANK.mgf	0.852844	10358.7	0	9.46701	6	0.0019989	211.142	1	temp/specs_ms.mgf43	1	Massbank:PR311142 Cyclo(leucylprolyl)	ESI	qTof	Isolated	Massbank	Massbank	M+H	211.144	0.0	1	N/A	N/A	O=C1NC(C(=O)N2CCCC12)CC(C)C	1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)	N/A	3	Positive	MASSBANK	211.144	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C11H18N2O2	SZJNCZMRZAUNQT-UHFFFAOYSA-N	SZJNCZMRZAUNQT	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	Small peptides	Dipeptides	Amino acids and Peptides
CCMSLIB00000842040	51	specs_ms.mgf	MASSBANKEU.mgf	0.852799	12967.9	0	0.0	7	0.0	214.09	1	temp/specs_ms.mgf51	1	MassbankEU:SM878901 N-Butylbenzenesulfonamide	ESI	LC-ESI-QFT	Isolated	Massbank EU	Massbank	[M+H]+	214.09	0.0	1	3622-84-2	N/A	CCCCNS(=O)(=O)C1=CC=CC=C1	1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3	N/A	3	Positive	MASSBANKEU	214.09	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C10H15NO2S	IPRJXAGUEGOFGG-UHFFFAOYSA-N	IPRJXAGUEGOFGG	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	Ornithine alkaloids	Polyamines	Alkaloids
CCMSLIB00003137289	1776	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.849976	9941.94	0	1.36304	13	0.000976562	716.458	1	temp/specs_ms.mgf1776	1	Spectral Match to Erythromycin from NIST14	ESI	HCD	Isolated	Data from System Wide MS course 	Data deposited by daniel	M+H-H2O	716.459	0.0	1	114078	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	716.459	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003137784	1439	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.844297	1956.06	0	1.73287	11	0.000976562	563.551	1	temp/specs_ms.mgf1439	1	Spectral Match to 9-Octadecenamide, (Z)- from NIST14	ESI	QqQ	Isolated	Data from Pieter Dorrestein	Data deposited by daniel	2M+H	563.552	0.0	1	301020	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	563.552	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003134511	643	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.828902	1896.89	0	2.97652	6	0.00100708	338.342	1	temp/specs_ms.mgf643	1	Spectral Match to 13-Docosenamide, (Z)- from NIST14	ESI	QQQ	Isolated	Data from Piel	Data deposited by eriche	M+H	338.341	337.335	1	112845	N/A	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N	InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-	N/A	3	Positive	GNPS-NIST14-MATCHES	338.341	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C22H43NO	UAUDZVJPLUQNMU-KTKRTIGZSA-N	UAUDZVJPLUQNMU	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	Fatty amides	Primary amides	Fatty acids
CCMSLIB00003139895	284	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.815455	4790.69	0	0.0	8	0.0	265.252	1	temp/specs_ms.mgf284	1	Spectral Match to 9-Octadecenamide, (Z)- from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H-NH3	265.252	0.0	1	301020	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	265.252	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003137194	25	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.812919	3187.69	0	0.0	6	0.0	205.195	1	temp/specs_ms.mgf25	1	Spectral Match to cis-7,10,13,16-Docosatetraenoic acid from NIST14	ESI	IT/ion trap	Isolated	Data from Katrina Waters;Yoshihiro Kawaoka;Richard Smith;Thomas Metz;Ralph Baric	Data deposited by alchemistmatt	205.2	205.195	0.0	1	28874580	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	205.195	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003134517	376	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.79133	8380.0	0	0.0	7	0.0	282.279	1	temp/specs_ms.mgf376	1	Spectral Match to 9-Octadecenamide, (Z)- from NIST14	ESI	QQQ	Isolated	Data from Piel	Data deposited by eriche	M+H	282.279	281.272	1	301020	N/A	CCCCCCCC/C=C\CCCCCCCC(=O)N	InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-	N/A	3	Positive	GNPS-NIST14-MATCHES	282.279	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C18H35NO	FATBGEAMYMYZAF-KTKRTIGZSA-N	FATBGEAMYMYZAF	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	Fatty amides	Primary amides	Fatty acids
CCMSLIB00005436264	1357	specs_ms.mgf	GNPS-LIBRARY.mgf	0.763425	12262.4	0	1.93522	6	0.0010376	536.166	1	temp/specs_ms.mgf1357	1	Contaminants septum vial Thermo C4000-53 and C4000-54 serie	LC-ESI	Orbitrap	Crude	Dorrestein	lfnothias	M+H	536.165	0.0	0	 	 	 	 	 	3	Positive	GNPS-LIBRARY	536.165	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00005725033	17	specs_ms.mgf	GNPS-LIBRARY.mgf	0.757302	2444.21	0	0.0	6	0.0	203.179	1	temp/specs_ms.mgf17	1	1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-ol	ESI	Orbitrap	Isolated	Wolfender	Luis Quiros-Guerrero	M-H2O+H	203.179	220.183	1	N/A	N/A	CC(C)C(CCC(C1CC2)=C)=CC1C2(C)O	InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3	N/A	1	Positive	GNPS-LIBRARY	203.179	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C15H24O	BUPJOLXWQXEJSQ-UHFFFAOYSA-N	BUPJOLXWQXEJSQ	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	Sesquiterpenoids	Guaiane sesquiterpenoids	Terpenoids
CCMSLIB00010088655	1839	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.747798	26119.1	0	6.51208	9	0.00500488	768.549	1	temp/specs_ms.mgf1839	1	PE(18:0/20:4); [M+H]+ C43H79N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	768.554	0.0	1	N/A	N/A	N/A	N/A	N/A	1	Positive	PNNL-LIPIDS-POSITIVE	768.554	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00003134769	1265	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.726763	9721.71	0	0.0	9	0.0	510.356	1	temp/specs_ms.mgf1265	1	Spectral Match to 1-Heptadecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	510.356	0.0	1	50930239	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	510.356	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CCMSLIB00005722215	364	specs_ms.mgf	GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf	0.724453	2579.91	0	3.60659	7	0.00100708	279.232	1	temp/specs_ms.mgf364	1	NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]	LC-ESI	Orbitrap	Commercial	Pieter Dorrestein	lfnothias/robinschmid	[M-2H2O+H]+	279.233	314.246	1	N/A	N/A	CCCCCCCCC1OC1C(O)CCCCCCC(O)=O	InChI=1S/C18H34O4/c1-2-3-4-5-6-10-13-16-18(22-16)15(19)12-9-7-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21)	N/A	3	Positive	GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE	279.233	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C18H34O4	GQEOLYBERRZZCE-UHFFFAOYSA-N	GQEOLYBERRZZCE	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	Octadecanoids	Other Octadecanoids	Fatty acids
CCMSLIB00003135408	1830	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.709311	1967.28	0	0.0	7	0.0	756.553	1	temp/specs_ms.mgf1830	1	Spectral Match to 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Chris Turck	Data deposited by fevargas	M+Na	756.553	0.0	1	63898	N/A	N/A	N/A	N/A	3	Positive	GNPS-NIST14-MATCHES	756.553	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
                                                                                                                                                                                                                                                                                                                                        nf_output/networking/                                                                               0000755 0000000 0000000 00000000000 14572074606 014001  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/networking/pairs_with_components.tsv                                                      0000644 0000000 0000000 00000026343 14572074204 021157  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   CLUSTERID1	CLUSTERID2	ComponentIndex	Cosine	DeltaMZ
491	675	1	0.9032	-44.027
491	947	1	0.8076	-114.032
328	480	1	0.8588	-28.031
480	995	1	0.768	-130.027
557	740	1	0.7068	-44.015
557	947	1	0.8123	-100.016
557	995	1	0.8493	-114.032
557	1111	1	0.7973	-144.043
724	947	1	0.7416	297.193
328	995	1	0.8186	-158.058
995	1771	1	0.7537	-283.172
947	1111	1	0.8612	-44.027
995	1111	1	0.8507	-30.011
947	1376	1	0.8551	-124.198
1376	1454	1	0.8826	-28.031
947	995	1	0.8373	-14.016
947	1454	1	0.7944	-152.229
740	947	1	0.7205	-56.001
2130	2143	2	0.97	-62.024
2133	2143	2	0.9744	-37.019
2136	2143	2	0.9695	-23.997
2143	2152	2	0.9774	-38.008
2143	2153	2	0.9791	-40.021
2143	2154	2	0.9769	-42.036
2143	2156	2	0.9806	-66.038
2143	2158	2	0.9733	-90.038
2130	2144	2	0.98	-66.05
2136	2144	2	0.9743	-28.023
2140	2144	2	0.9748	-16.037
2141	2144	2	0.9841	-14.02
2144	2145	2	0.9795	-9.981
2144	2146	2	0.9806	-11.994
2144	2150	2	0.9783	-24.001
2144	2153	2	0.984	-35.995
2144	2154	2	0.9823	-38.01
2144	2156	2	0.9853	-62.012
2136	2150	2	0.9599	-52.024
2150	2156	2	0.9698	-38.011
2130	2156	2	0.9698	-128.062
2141	2156	2	0.9869	-76.032
2145	2156	2	0.9863	-52.031
2146	2156	2	0.9836	-50.018
2152	2156	2	0.9876	-28.03
2153	2156	2	0.987	-26.017
2154	2156	2	0.9903	-24.002
2156	2158	2	0.9866	-24.0
2140	2154	2	0.9748	-54.047
2141	2154	2	0.9959	-52.03
2145	2154	2	0.9905	-28.029
2146	2154	2	0.9919	-26.016
2152	2154	2	0.9763	-4.028
2153	2154	2	0.991	-2.015
2154	2158	2	0.9849	-48.002
2130	2132	2	0.9657	-24.002
2130	2136	2	0.9709	-38.027
2130	2140	2	0.9666	-50.013
2130	2141	2	0.9801	-52.03
2130	2152	2	0.9793	-100.032
2132	2133	2	0.9594	-1.003
2133	2140	2	0.9772	-25.008
2133	2141	2	0.9805	-27.025
2133	2146	2	0.9812	-53.039
2132	2152	2	0.9758	-76.03
2140	2152	2	0.9739	-50.019
2141	2152	2	0.9836	-48.002
2145	2152	2	0.9923	-24.001
2152	2153	2	0.9832	-2.013
2152	2158	2	0.9822	-52.03
2145	2158	2	0.9823	-76.031
2146	2158	2	0.9717	-74.018
2153	2158	2	0.9771	-50.017
2155	2158	2	0.9727	-26.019
2140	2141	2	0.9899	-2.017
2141	2145	2	0.9924	-24.001
2141	2146	2	0.9918	-26.014
2141	2153	2	0.9878	-50.015
2132	2145	2	0.9786	-52.029
2140	2145	2	0.9841	-26.018
2145	2146	2	0.9865	-2.013
2145	2153	2	0.9906	-26.014
2140	2153	2	0.9818	-52.032
2146	2153	2	0.9886	-24.001
2140	2146	2	0.9855	-28.031
1909	2072	3	0.8775	1440.411
2072	2073	3	0.8649	-1.001
2072	2074	3	0.7616	-1.997
1909	2073	3	0.7882	1439.41
2073	2074	3	0.8067	-0.996
1192	1313	4	0.9404	-40.031
1260	1313	4	0.9518	-14.015
1313	1319	4	0.9062	-2.016
1313	1371	4	0.8277	-16.033
2049	2113	4	0.7631	-300.243
2109	2113	4	0.9227	-23.997
1260	2049	4	0.8651	-483.333
1371	2049	4	0.7864	-453.285
2049	2109	4	0.8262	-276.246
1192	1260	4	0.9354	-26.016
1227	1265	4	0.934	-14.016
1265	1319	4	0.8738	-14.015
1265	1371	4	0.8205	-28.032
1319	1370	4	0.8765	-13.979
1723	1839	4	0.7446	-76.027
1839	1869	4	0.7165	-24.004
1191	1227	4	0.7127	-14.016
1227	1319	4	0.8107	-28.031
1227	1371	4	0.7654	-42.048
1227	1723	4	0.7408	-196.182
1138	1191	4	0.7054	-14.015
1319	1371	4	0.855	-14.017
1260	1319	4	0.891	-16.031
2108	2109	4	0.965	-14.016
2109	2112	4	0.9631	-14.015
2108	2112	4	0.9654	-28.031
1753	1948	5	0.9926	-159.056
1795	1948	5	0.9881	-130.078
1813	1948	5	0.9892	-116.063
1814	1948	5	0.9892	-116.024
1831	1948	5	0.9858	-104.061
1844	1948	5	0.993	-90.048
1861	1948	5	0.9863	-80.061
1878	1948	5	0.9913	-62.016
1912	1948	5	0.986	-28.03
1753	1782	5	0.9885	-17.017
1782	1904	5	0.9751	-104.031
1795	1887	5	0.9922	-78.047
1813	1887	5	0.9874	-64.032
1814	1887	5	0.9882	-63.993
1831	1887	5	0.9898	-52.03
1844	1887	5	0.9907	-38.017
1861	1887	5	0.9924	-28.03
1863	1887	5	0.9954	-24.0
1878	1887	5	0.9912	-9.985
1887	1888	5	0.9918	-2.015
1887	1912	5	0.9928	-24.001
1795	1863	5	0.9925	-54.047
1813	1863	5	0.9862	-40.032
1831	1863	5	0.9903	-28.03
1861	1863	5	0.9888	-4.03
1863	1878	5	0.9863	-14.015
1863	1888	5	0.996	-26.015
1863	1912	5	0.9889	-48.001
1753	1861	5	0.9885	-78.995
1795	1861	5	0.9941	-50.017
1813	1861	5	0.986	-36.002
1831	1861	5	0.998	-24.0
1844	1861	5	0.9899	-9.987
1861	1912	5	0.9972	-52.031
1753	1912	5	0.9877	-131.026
1795	1912	5	0.9914	-102.048
1813	1912	5	0.9858	-88.033
1831	1912	5	0.9943	-76.031
1795	1813	5	0.9893	-14.015
1813	1814	5	0.9863	-0.039
1813	1831	5	0.9872	-12.002
1813	1878	5	0.9876	-54.047
1878	1915	5	0.9865	-38.016
1888	1915	5	0.9837	-26.016
1875	1904	5	0.9827	-28.037
1753	1814	5	0.9913	-43.032
1753	1831	5	0.9885	-54.995
1753	1844	5	0.996	-69.008
1753	1878	5	0.9925	-97.04
1753	1897	5	0.9885	-117.008
1797	1814	5	0.9872	-12.038
1797	1844	5	0.9892	-38.014
1797	1878	5	0.9863	-66.046
1795	1831	5	0.9952	-26.017
1831	1844	5	0.9902	-14.013
1814	1897	5	0.9881	-73.976
1844	1897	5	0.9918	-48.0
1878	1897	5	0.991	-19.968
1795	1844	5	0.9914	-40.03
1814	1844	5	0.9964	-25.976
1844	1878	5	0.9976	-28.032
1795	1814	5	0.9881	-14.054
1795	1878	5	0.9889	-68.062
1814	1878	5	0.9954	-54.008
196	204	6	0.8948	-2.016
204	442	6	0.7247	-47.001
786	1046	7	0.8416	-74.019
959	1012	8	0.7167	-15.995
865	965	8	0.7373	-32.026
965	1012	8	0.7283	-14.015
965	1026	8	0.7404	-18.011
799	865	8	0.7736	-15.996
656	729	8	0.767	-15.995
729	799	8	0.7132	-15.994
656	739	8	0.7864	-18.011
858	1158	8	0.8697	-84.021
799	858	8	0.7549	-14.016
264	268	9	0.8174	-0.112
763	840	10	0.7408	-18.011
840	902	10	0.7021	-17.026
1374	1776	11	0.8097	-176.104
1430	1776	11	0.8133	-158.094
1742	1776	11	0.9271	-18.01
1776	1781	11	0.8022	-3.997
1776	1790	11	0.912	-14.016
1776	1796	11	0.9434	-18.01
1776	1806	11	0.9426	-25.998
1776	1819	11	0.8806	-31.99
1776	1820	11	0.9513	-32.027
1776	1833	11	0.8709	-44.007
1374	1477	11	0.8907	-36.02
1430	1477	11	0.9092	-18.01
1477	1819	11	0.887	-172.074
1714	1751	11	0.8097	-18.011
1751	1781	11	0.7051	-18.012
1751	1796	11	0.7765	-32.025
1751	1806	11	0.76	-40.013
1751	1811	11	0.8422	-44.008
1751	1820	11	0.7978	-46.042
1374	1430	11	0.9374	-18.01
1374	1742	11	0.7629	-158.094
1374	1781	11	0.833	-180.101
1374	1790	11	0.7452	-190.12
1374	1819	11	0.9042	-208.094
1381	1430	11	0.9202	-14.015
1742	1833	11	0.8085	-62.017
1781	1833	11	0.7171	-40.01
1790	1833	11	0.7937	-29.991
1796	1833	11	0.9414	-25.997
1806	1833	11	0.8595	-18.009
1820	1833	11	0.884	-11.98
1430	1790	11	0.7544	-172.11
1742	1790	11	0.9049	-32.026
1781	1790	11	0.8073	-10.019
1790	1796	11	0.8578	-3.994
1790	1806	11	0.888	-11.982
1790	1819	11	0.8097	-17.974
1790	1820	11	0.9013	-18.011
1430	1819	11	0.8997	-190.084
1742	1819	11	0.8333	-50.0
1781	1819	11	0.8572	-27.993
1796	1819	11	0.8488	-13.98
1806	1819	11	0.8183	-5.992
1819	1820	11	0.8923	-0.037
1430	1742	11	0.7686	-140.084
1742	1781	11	0.8115	-22.007
1742	1796	11	0.8802	-36.02
1742	1806	11	0.8953	-44.008
1742	1820	11	0.9114	-50.037
1781	1806	11	0.7448	-22.001
1796	1806	11	0.9346	-7.988
1806	1811	11	0.8289	-3.995
1806	1820	11	0.9301	-6.029
1781	1796	11	0.7788	-14.013
1781	1820	11	0.8437	-28.03
1796	1811	11	0.8303	-11.983
1796	1820	11	0.9396	-14.017
1811	1820	11	0.8142	-2.034
571	618	12	0.9864	-14.016
618	696	12	0.9549	-17.026
618	809	12	0.9299	-44.026
618	823	12	0.7356	-47.038
618	882	12	0.8431	-61.053
618	1022	12	0.7258	-105.079
882	1616	12	0.735	-250.141
978	1616	12	0.746	-220.13
1424	1616	12	0.8513	-88.052
1506	1616	12	0.7909	-60.022
571	696	12	0.9519	-31.042
696	809	12	0.8727	-27.0
696	823	12	0.7169	-30.012
696	882	12	0.9314	-44.027
696	1022	12	0.8302	-88.053
882	1424	12	0.7756	-162.089
978	1424	12	0.796	-132.078
1022	1424	12	0.8272	-118.063
1424	1506	12	0.879	-28.03
809	978	12	0.701	-47.038
823	978	12	0.8541	-44.026
882	978	12	0.7363	-30.011
978	1022	12	0.8522	-14.015
978	1506	12	0.743	-160.108
571	882	12	0.8428	-75.069
809	882	12	0.934	-17.027
823	882	12	0.8981	-14.015
882	1022	12	0.886	-44.026
882	1506	12	0.7469	-190.119
571	809	12	0.9055	-58.042
809	823	12	0.8389	-3.012
809	1022	12	0.7579	-61.053
571	1022	12	0.7324	-119.095
823	1022	12	0.7441	-58.041
1022	1506	12	0.8379	-146.093
1407	1484	13	0.789	-28.031
1448	1484	13	0.8994	-14.015
1361	1407	13	0.7702	-15.995
1361	1702	13	0.7777	-146.022
1361	1736	13	0.7043	-160.037
1361	2026	13	0.7524	-422.185
1407	1448	13	0.8216	-14.016
1448	1487	13	0.8097	-15.995
1448	1736	13	0.7969	-130.026
1407	1736	13	0.7852	-144.042
1702	1736	13	0.7251	-14.015
1407	1487	13	0.7819	-30.011
1453	1487	13	0.7532	-14.016
1068	1702	13	0.7124	-231.028
1300	1702	13	0.7262	-162.053
1407	1702	13	0.7169	-130.027
1394	1407	13	0.779	-3.994
1068	1907	13	0.7014	-377.127
1907	2026	13	0.7008	-130.064
1068	2026	13	0.7255	-507.191
1407	1417	13	0.7121	-2.016
1407	1453	13	0.8308	-15.995
1407	2026	13	0.7018	-406.19
1417	1453	13	0.7114	-13.979
783	851	14	0.7269	-15.995
1525	1559	15	0.7185	-14.016
1559	1586	15	0.7017	-14.015
924	968	16	0.7249	-14.016
238	376	17	0.8716	-28.031
243	376	17	0.7135	-27.047
299	376	17	0.8367	-14.015
376	437	17	0.8014	-11.005
376	527	17	0.869	-28.031
376	647	17	0.7096	-57.01
376	833	17	0.7043	-99.02
376	898	17	0.765	-117.031
238	437	17	0.7414	-39.036
284	437	17	0.8429	-28.032
299	437	17	0.7788	-25.02
437	511	17	0.8049	-15.01
437	527	17	0.7236	-17.026
437	647	17	0.8381	-46.005
437	833	17	0.8445	-88.015
437	898	17	0.7387	-106.026
238	243	17	0.8263	-0.984
243	303	17	0.7601	-14.015
243	527	17	0.7823	-55.078
238	647	17	0.7248	-85.041
284	647	17	0.939	-74.037
511	647	17	0.7091	-30.995
647	833	17	0.8562	-42.01
647	898	17	0.7503	-60.021
238	284	17	0.747	-11.004
284	299	17	0.7047	-3.012
284	833	17	0.8204	-116.047
284	898	17	0.7233	-134.058
299	511	17	0.703	-40.03
511	833	17	0.724	-73.005
833	898	17	0.7696	-18.011
299	643	17	0.8246	-70.078
898	1439	17	0.7338	-164.241
238	299	17	0.8397	-14.016
299	527	17	0.7338	-42.046
299	898	17	0.7472	-131.046
238	527	17	0.9552	-56.062
238	898	17	0.7285	-145.062
527	898	17	0.7021	-89.0
772	849	18	0.7172	-18.011
689	849	18	0.7322	-36.022
849	909	18	0.7683	-17.026
1836	1890	19	0.8993	-52.035
1835	1836	19	0.9332	-1.003
1835	1865	19	0.9863	-27.021
1836	1865	19	0.931	-26.018
1634	1668	20	0.8409	-14.018
918	962	22	0.908	-28.032
962	1001	22	0.7678	-23.998
962	1004	22	0.7958	-26.014
962	1043	22	0.7728	-47.998
918	955	22	0.9038	-24.0
955	1001	22	0.8636	-28.03
955	1254	22	0.719	330.128
920	1254	22	0.7027	308.128
1001	1004	22	0.7872	-2.016
1004	1043	22	0.7762	-21.984
1001	1254	22	0.7518	358.158
1181	1254	22	0.9729	-28.032
1001	1043	22	0.8246	-24.0
1001	1181	22	0.7351	386.19
46	53	23	0.755	-2.016
46	119	23	0.8364	-18.011
237	364	23	0.7661	-25.021
237	450	23	0.8354	-42.047
237	588	23	0.7517	-70.078
53	367	23	0.8564	-66.083
275	367	23	0.7223	-17.026
359	367	23	0.7981	-2.015
367	450	23	0.7718	-15.995
367	588	23	0.7998	-44.026
275	359	23	0.8267	-15.011
275	588	23	0.8383	-61.052
359	450	23	0.7798	-18.01
364	450	23	0.703	-17.026
450	588	23	0.8208	-28.031
2	359	23	0.7227	-78.084
359	588	23	0.8162	-46.041
1830	1858	24	0.7764	-23.999
1856	1858	24	0.8216	0.0
1858	1934	24	0.7294	-76.029
1830	1856	24	0.8234	-23.999
1830	1934	24	0.8155	-100.028
1856	1934	24	0.8641	-76.029
872	876	25	0.7192	-1.004
872	973	25	0.824	-32.027
973	1021	25	0.8228	-14.015
75	135	26	0.8567	-14.016
1601	1631	30	0.71	-14.016
1919	1920	31	0.785	-1.006
1919	1927	31	0.7712	-17.032
1898	1927	31	0.9326	-58.04
1920	1927	31	0.7729	-16.026
985	1206	32	0.8637	-59.037
598	720	33	0.7237	-27.996
1840	2148	35	0.7524	-41.055
1899	2148	35	0.8657	62.159
2148	2149	35	0.9471	-1.011
1899	2149	35	0.878	61.148
1339	1387	36	0.8399	-14.016
1744	1981	38	0.7657	307.235
1679	1716	39	0.8132	-14.016
671	801	40	0.8185	-30.011
748	1013	43	0.7101	-74.036
1242	1337	44	0.7941	-30.01
1337	1386	44	0.8861	-14.016
650	651	45	0.8706	-0.036
246	389	46	0.9289	-28.032
1609	1640	47	0.8114	-15.995
1234	1275	51	0.8143	-14.016
1234	1295	51	0.7594	-18.01
1630	1632	52	0.7082	-0.993
541	593	53	0.9556	-14.016
                                                                                                                                                                                                                                                                                             nf_output/networking/clustersummary_with_groups.tsv                                                 0000644 0000000 0000000 00000062656 14572074201 022276  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   cluster index	number of spectra	parent mass	precursor charge	precursor mass	sum(precursor intensity)	RTMean
1	2	200.098	1	200.098	1342610.0	6.17945
2	2	200.164	1	200.164	886442.0	7.812875
8	2	202.086	1	202.086	1611100.0	5.422058333333333
9	2	202.086	1	202.086	1283770.0	3.477733333333333
17	3	203.179	1	203.179	2886840.0	5.818833333333333
22	2	205.097	1	205.097	1658320.0	2.98495
25	4	205.195	1	205.195	12510900.0	9.63645
27	4	206.081	1	206.081	3559210.0	2.7198
29	3	207.032	1	207.032	1561760.0	15.663394444444444
30	2	207.073	1	207.073	2539180.0	4.891824999999999
31	11	207.159	1	207.159	8632600.0	4.361145454545454
36	3	208.944	1	208.944	1539620.0	0.8184238333333332
42	7	211.087	1	211.087	115252000.0	6.8555738095238095
43	11	211.142	1	211.142	133008000.0	4.210752878787879
44	2	211.133	1	211.133	5312600.0	6.14375
46	2	212.164	1	212.164	7222910.0	7.708258333333333
51	13	214.09	1	214.09	8437770.0	13.45238205128205
53	2	214.18	1	214.18	3946690.0	8.08445
61	52	217.108	1	217.108	62461000.0	6.713375592948718
62	4	217.957	1	217.957	9354610.0	3.284095833333333
67	2	219.138	1	219.138	1727400.0	8.767425
69	2	220.097	1	220.097	1681590.0	3.369458333333333
71	2	220.097	1	220.097	2083090.0	1.9428758333333331
75	3	221.117	1	221.117	10605100.0	7.009144444444444
79	2	223.052	1	223.052	3286340.0	3.985975
80	9	223.064	1	223.064	17793600.0	6.972271666666667
81	4	223.064	1	223.064	4593520.0	9.1660875
83	2	223.064	1	223.064	1990410.0	5.890133333333333
90	2	223.064	1	223.064	2552280.0	1.6584266666666667
93	2	223.988	1	223.988	1724750.0	9.069891666666669
94	2	225.102	1	225.102	10278200.0	5.6492
100	2	227.07	1	227.07	6659370.0	6.167941666666667
103	2	227.081	1	227.081	7866320.0	6.617275
109	2	228.232	1	228.232	3336180.0	9.945775
119	2	230.175	1	230.175	4294080.0	7.788625
123	2	232.097	1	232.097	1922340.0	5.226641666666667
126	2	233.117	1	233.117	7503180.0	6.121425
134	3	235.087	1	235.087	4421170.0	4.5533
135	4	235.133	1	235.133	15399800.0	5.952454166666667
136	5	235.169	1	235.169	2573390.0	15.113433333333331
142	19	236.939	1	236.939	14397500.0	5.181060815789474
156	8	239.089	1	239.089	6866710.0	2.3927458333333336
157	2	239.089	1	239.089	1907830.0	4.255208333333333
164	3	239.15	1	239.15	1348030.0	15.080705555555555
182	6	243.232	1	243.232	2910070.0	14.857669444444443
192	3	245.096	1	245.096	4452420.0	1.9558
194	3	245.129	1	245.129	5592910.0	4.256505555555555
196	4	245.226	1	245.226	2975100.0	9.878954166666666
204	2	247.242	1	247.242	3954170.0	11.387425
220	3	251.12	1	251.12	2931880.0	4.963938888888889
222	3	251.164	1	251.164	3411430.0	6.466788888888889
223	2	251.185	1	251.185	1066980.0	4.067441666666667
224	2	251.237	1	251.237	1570880.0	9.144391666666667
227	2	252.109	1	252.109	2376110.0	1.6770908333333332
234	2	253.998	1	253.998	1525280.0	3.946075
237	2	254.211	1	254.211	2123230.0	8.446116666666667
238	2	254.248	1	254.248	11620200.0	10.35455
239	2	255.076	1	255.076	5808550.0	6.9615833333333335
243	2	255.232	1	255.232	2770010.0	8.659133333333333
244	8	256.06	1	256.06	9812500.0	6.120114583333334
246	2	256.263	1	256.263	9457310.0	11.188016666666666
252	5	257.248	1	257.248	2111200.0	14.930273333333332
254	3	258.076	1	258.076	2421500.0	6.249522222222223
264	4	261.012	1	261.012	3355040.0	3.070945833333333
268	4	261.124	1	261.124	7471900.0	3.1453208333333333
275	8	263.237	1	263.237	11165700.0	9.6259125
281	3	265.097	1	265.097	9102750.0	4.152044444444445
284	5	265.252	1	265.252	13748500.0	10.887893333333334
291	5	267.113	1	267.113	11241000.0	3.790483333333333
297	2	268.097	1	268.097	4749380.0	5.385383333333333
299	2	268.264	1	268.264	1659170.0	10.915475
303	2	269.247	1	269.247	3376610.0	9.465616666666666
305	9	270.076	1	270.076	24563700.0	6.888527777777778
309	2	270.279	1	270.279	1385980.0	11.057825
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1525	4	595.257	1	595.257	7478640.0	8.594054166666666
1531	2	596.249	1	596.249	6871590.0	7.082208333333333
1535	2	597.28	1	597.28	3739060.0	6.568875
1537	21	600.104	1	600.104	19245600.0	10.093830952380952
1559	2	609.273	1	609.273	3167420.0	8.836591666666667
1566	2	614.484	1	614.484	1084540.0	10.587425
1573	3	618.115	1	618.115	1483410.0	9.103311111111111
1575	2	618.115	1	618.115	879215.0	9.000041666666666
1586	2	623.288	1	623.288	1035250.0	9.325491666666666
1592	2	629.25	1	629.25	1228920.0	5.058891666666667
1593	5	1891.49	3	631.163	4564120.0	13.470203333333334
1594	2	1892.49	3	631.495	947165.0	12.249858333333334
1601	2	636.281	1	636.281	2268130.0	6.072591666666666
1605	3	636.557	1	636.557	1493160.0	11.513361111111111
1609	2	639.423	1	639.423	16254700.0	8.858374999999999
1616	2	644.494	1	644.494	744910.0	9.964266666666669
1630	4	1948.56	3	650.185	13779900.0	13.738829166666669
1631	2	650.297	1	650.297	4107890.0	6.525433333333334
1632	3	1949.55	3	650.516	6400080.0	12.608905555555555
1634	2	652.275	1	652.275	2371090.0	5.825308333333333
1640	2	655.418	1	655.418	3377270.0	8.078816666666667
1642	2	657.245	1	657.245	2010850.0	5.399091666666667
1653	7	660.614	1	660.614	6531530.0	13.391880952380951
1662	3	1993.56	3	665.185	5858690.0	13.280388888888888
1668	2	666.293	1	666.293	3520770.0	6.334866666666667
1669	2	666.604	1	666.604	843479.0	11.954716666666666
1675	3	2005.6	3	669.199	3290270.0	13.87656111111111
1679	2	672.417	1	672.417	9369740.0	8.272158333333334
1682	2	673.416	1	673.416	4220660.0	7.129808333333333
1691	3	2038.59	3	680.195	3010450.0	13.75805
1702	2	682.25	1	682.25	44061300.0	5.973208333333333
1713	2	684.269	1	684.269	4144990.0	6.227808333333334
1714	2	684.432	1	684.432	1218340.0	5.257825
1716	2	686.433	1	686.433	6996520.0	8.72325
1723	7	692.522	1	692.522	2487150.0	10.459776190476193
1734	3	694.286	1	694.286	6408110.0	7.103327777777778
1736	2	696.265	1	696.265	4764110.0	6.344849999999999
1737	2	696.266	1	696.266	828267.0	5.414508333333334
1742	3	698.448	1	698.448	2100720.0	5.544427777777777
1744	8	2093.65	3	698.549	15821600.0	13.286791666666666
1751	6	702.443	1	702.443	9554700.0	5.226233333333333
1753	29	703.575	1	703.575	73203200.0	8.583022413793103
1757	5	705.593	1	705.593	4694910.0	12.56235
1760	2	706.54	1	706.54	849144.0	10.603066666666669
1770	2	713.27	1	713.27	4022480.0	6.6742
1771	5	713.416	1	713.416	3592590.0	7.840593333333333
1772	3	2138.68	3	713.559	3065890.0	13.647333333333334
1773	2	2138.68	3	713.56	1845530.0	13.204683333333334
1776	10	716.458	1	716.458	967104000.0	5.458508333333333
1778	2	717.52	1	717.52	3330270.0	9.573816666666668
1779	4	719.574	1	719.574	5320640.0	11.577358333333333
1781	2	720.455	1	720.455	1539770.0	4.354491666666666
1782	18	720.592	1	720.592	23295100.0	10.777441666666668
1783	2	721.589	1	721.589	3450340.0	11.106616666666667
1790	2	730.474	1	730.474	2760700.0	5.5075666666666665
1792	2	732.453	1	732.453	10278900.0	5.726566666666667
1795	12	732.553	1	732.553	69553700.0	10.182244444444445
1796	7	734.468	1	734.468	199096000.0	5.002328571428572
1797	31	734.569	1	734.569	108116000.0	10.447755913978494
1801	3	738.44	1	738.44	5184300.0	5.303611111111111
1803	4	739.504	1	739.504	1882660.0	13.857695833333333
1806	6	742.456	1	742.456	16898700.0	6.185113888888889
1807	2	742.544	1	742.544	848955.0	12.532291666666666
1809	2	745.319	1	745.319	3342360.0	6.356566666666667
1811	2	746.451	1	746.451	1522340.0	4.866091666666667
1813	7	746.568	1	746.568	8548800.0	9.70117619047619
1814	18	746.607	1	746.607	18402700.0	10.975703703703704
1815	2	2239.74	3	747.248	1390070.0	13.340825
1817	4	2240.76	3	747.585	3061230.0	13.513575
1819	2	748.448	1	748.448	25662300.0	4.538625
1820	3	748.485	1	748.485	5281160.0	5.132650000000001
1821	2	748.58	1	748.58	2719740.0	10.635308333333334
1830	2	756.553	1	756.553	1531620.0	12.53465
1831	55	758.57	1	758.57	3877040000.0	9.268809090909093
1833	3	760.465	1	760.465	190893000.0	5.236483333333333
1835	2	762.595	1	762.595	35663600.0	10.923658333333332
1836	2	763.598	1	763.598	8924840.0	12.4003
1839	28	768.549	1	768.549	51940500.0	9.591193452380953
1840	5	1538.1	2	769.55	6025980.0	12.645043333333334
1844	43	772.583	1	772.583	102837000.0	10.115231395348838
1852	2	777.281	1	777.281	2905410.0	10.4425
1856	15	780.552	1	780.552	184412000.0	12.52808
1858	2	780.552	1	780.552	3737350.0	13.697483333333334
1861	33	782.57	1	782.57	619233000.0	7.392126262626263
1863	54	786.6	1	786.6	2061520000.0	9.330505864197532
1865	3	789.616	1	789.616	70661000.0	11.843022222222222
1869	12	792.553	1	792.553	9971670.0	7.146593055555556
1871	2	794.602	1	794.602	1294350.0	11.595225
1874	2	796.52	1	796.52	2900540.0	12.910991666666668
1875	24	796.586	1	796.586	52237300.0	11.192198611111111
1878	43	800.615	1	800.615	116097000.0	10.342756201550388
1885	7	808.585	1	808.585	13519000.0	5.991038095238095
1887	43	810.6	1	810.6	1232600000.0	10.219394186046513
1888	11	812.615	1	812.615	42766100.0	6.386169696969697
1890	2	815.633	1	815.633	3086400.0	13.121391666666668
1897	13	820.583	1	820.583	25971500.0	10.315010256410256
1898	13	1640.32	2	820.66	57524700.0	12.973870512820511
1899	3	1641.31	2	821.157	8037100.0	11.863033333333334
1904	20	824.623	1	824.623	23121100.0	11.226635833333331
1907	3	828.349	1	828.349	69502700.0	7.801155555555556
1909	8	2494.71	3	832.236	24482300.0	13.33019375
1911	3	833.537	1	833.537	3480500.0	4.980677777777777
1912	47	834.601	1	834.601	631428000.0	9.151875177304964
1915	30	838.631	1	838.631	73180200.0	10.662172777777778
1919	3	1681.33	2	841.164	3666280.0	12.829922222222224
1920	9	1682.33	2	841.667	10933400.0	13.114818518518518
1924	4	842.668	1	842.668	2627680.0	11.654458333333332
1926	3	848.619	1	848.619	1365530.0	10.466033333333334
1927	11	1698.36	2	849.68	31834700.0	12.917974242424242
1928	3	1699.36	2	850.179	3183310.0	11.598394444444445
1933	3	856.38	1	856.38	341021000.0	9.167811111111112
1934	20	856.581	1	856.581	20129300.0	11.125676666666669
1948	20	862.631	1	862.631	28075400.0	10.528169166666666
1949	2	863.315	1	863.315	3936680.0	8.111766666666666
1961	2	1742.39	2	871.693	3170400.0	12.702583333333331
1964	2	1742.39	2	871.693	3708770.0	13.390416666666669
1976	3	888.371	1	888.371	14773600.0	8.310516666666667
1978	2	1786.41	2	893.704	4862640.0	11.677591666666665
1981	11	1786.41	2	893.706	73544300.0	13.18304393939394
1986	2	903.489	1	903.489	673131.0	8.889725
1992	2	1830.44	2	915.719	4246410.0	13.064958333333331
2018	2	1888.48	2	944.741	1580390.0	13.351516666666669
2026	2	958.413	1	958.413	6663610.0	7.81335
2033	4	1930.53	2	965.764	17683200.0	13.575841666666664
2049	2	991.673	1	991.673	4064750.0	8.616216666666666
2051	2	1988.57	2	994.783	1265410.0	12.856033333333333
2068	2	2076.63	2	1038.81	2211760.0	13.817833333333333
2072	7	1054.3	1	1054.3	26724400.0	12.33902619047619
2073	10	1055.3	1	1055.3	81394100.0	12.926605
2074	2	1056.3	1	1056.3	2612350.0	11.62355
2075	4	2119.58	2	1060.29	4790570.0	13.414066666666669
2079	3	1070.85	1	1070.85	1766160.0	11.747955555555556
2107	2	1239.89	1	1239.89	2984280.0	8.723158333333334
2108	2	1253.9	1	1253.9	2495410.0	8.644758333333332
2109	3	1267.92	1	1267.92	5162630.0	9.071422222222225
2112	3	1281.93	1	1281.93	5202040.0	9.202016666666664
2113	2	1291.92	1	1291.92	2204240.0	9.182316666666669
2120	2	1431.91	1	1431.91	5705660.0	5.484775
2130	8	1492.13	1	1492.13	9100380.0	11.311558333333334
2132	24	1516.13	1	1516.13	137264000.0	10.831427083333333
2133	3	1517.14	1	1517.14	43273900.0	11.405755555555556
2136	4	1530.16	1	1530.16	3753830.0	10.8072625
2139	2	1540.13	1	1540.13	3391640.0	8.769291666666668
2140	5	1542.14	1	1542.14	18381600.0	8.91874
2141	27	1544.16	1	1544.16	243788000.0	11.066324074074076
2142	2	3107.28	2	1554.14	2175640.0	11.919925
2143	6	1554.16	1	1554.16	6834080.0	10.873138888888889
2144	11	1558.18	1	1558.18	14413300.0	10.884784848484848
2145	22	1568.16	1	1568.16	139558000.0	10.613124242424242
2146	14	1570.18	1	1570.18	119072000.0	11.82900476190476
2147	2	1578.16	1	1578.16	2123210.0	10.964325
2148	2	1579.16	1	1579.16	2729510.0	10.893791666666669
2149	2	1580.17	1	1580.17	2331690.0	10.852666666666668
2150	4	1582.18	1	1582.18	4628780.0	10.511304166666667
2152	11	1592.16	1	1592.16	34438900.0	9.983245454545454
2153	17	1594.18	1	1594.18	68233800.0	10.85468725490196
2154	11	1596.19	1	1596.19	61697900.0	11.415601515151517
2155	3	1618.17	1	1618.17	5199470.0	9.318816666666663
2156	18	1620.19	1	1620.19	54655500.0	10.85593888888889
2158	7	1644.19	1	1644.19	10284200.0	10.235385714285714
2159	2	1645.2	1	1645.2	3563180.0	11.032408333333333
                                                                                  nf_output/networking/network.graphml                                                                0000644 0000000 0000000 00000553203 14572074605 017055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      1596.19 
      11.42 
      11.42 
      0 
      2 
     
    
      1580.17 
      10.85 
      10.85 
      0 
      35 
     
    
      746.568 
      9.7 
      9.7 
      0 
      5 
      Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      1542.14 
      8.92 
      8.92 
      0 
      2 
     
    
      538.35 
      9.46 
      9.46 
      0 
      4 
     
    
      367.248 
      7.15 
      7.15 
      0 
      18 
     
    
      424.364 
      10.27 
      10.27 
      0 
      12 
     
    
      1558.18 
      10.88 
      10.88 
      0 
      2 
     
    
      374.138 
      6.9 
      6.9 
      0 
      8 
     
    
      732.553 
      10.18 
      10.18 
      0 
      5 
      Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      666.293 
      6.33 
      6.33 
      0 
      20 
     
    
      1592.16 
      9.98 
      9.98 
      0 
      2 
     
    
      1267.92 
      9.07 
      9.07 
      0 
      4 
     
    
      340.393 
      10.61 
      10.61 
      0 
      45 
     
    
      423.191 
      8.97 
      8.97 
      0 
      16 
     
    
      772.583 
      10.12 
      10.12 
      0 
      5 
      Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      840.521 
      6.67 
      6.67 
      0 
      22 
     
    
      438.191 
      8.28 
      8.28 
      0 
      25 
     
    
      536.228 
      7.46 
      7.46 
      0 
      13 
     
    
      698.448 
      5.54 
      5.54 
      0 
      11 
     
    
      756.553 
      12.53 
      12.53 
      0 
      24 
      Spectral Match to 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      544.349 
      5.22 
      5.22 
      0 
      11 
     
    
      746.607 
      10.98 
      10.98 
      0 
      5 
      Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      1570.18 
      11.83 
      11.83 
      0 
      2 
     
    
      652.275 
      5.83 
      5.83 
      0 
      20 
     
    
      460.255 
      3.03 
      3.03 
      0 
      1 
     
    
      546.249 
      8.16 
      8.16 
      0 
      44 
     
    
      482.324 
      8.79 
      8.79 
      0 
      4 
     
    
      682.25 
      5.97 
      5.97 
      0 
      13 
     
    
      445.12 
      14.72 
      14.72 
      0 
      7 
     
    
      451.222 
      7.79 
      7.79 
      0 
      13 
     
    
      256.263 
      11.19 
      11.19 
      0 
      46 
      Spectral Match to Palmitamide from NIST14 
      CCCCCCCCCCCCCCCC(=O)N 
      InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      595.257 
      8.59 
      8.59 
      0 
      15 
     
    
      383.243 
      7.3 
      7.3 
      0 
      10 
     
    
      558.364 
      5.1 
      5.1 
      0 
      11 
     
    
      254.211 
      8.45 
      8.45 
      0 
      23 
     
    
      644.494 
      9.96 
      9.96 
      0 
      12 
     
    
      230.175 
      7.79 
      7.79 
      0 
      23 
     
    
      487.095 
      7.14 
      7.14 
      0 
      32 
     
    
      400.269 
      8.19 
      8.19 
      0 
      10 
     
    
      1530.16 
      10.81 
      10.81 
      0 
      2 
     
    
      792.553 
      7.15 
      7.15 
      0 
      4 
     
    
      436.175 
      8.04 
      8.04 
      0 
      8 
     
    
      265.252 
      10.89 
      10.89 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      340.357 
      9.6 
      9.6 
      0 
      45 
     
    
      279.232 
      9.02 
      9.02 
      0 
      23 
      NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585] 
      CCCCCCCCC1OC1C(O)CCCCCCC(O)=O 
      InChI=1S/C18H34O4/c1-2-3-4-5-6-10-13-16-18(22-16)15(19)12-9-7-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21) 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Lineolic acids and derivatives 
      Octadecanoids 
      Other Octadecanoids 
      Fatty acids 
     
    
      609.273 
      8.84 
      8.84 
      0 
      15 
     
    
      393.153 
      6.33 
      6.33 
      0 
      25 
     
    
      836.489 
      7.4 
      7.4 
      0 
      22 
     
    
      1538.1 
      12.65 
      12.65 
      0 
      35 
     
    
      838.631 
      10.66 
      10.66 
      0 
      5 
     
    
      703.575 
      8.58 
      8.58 
      0 
      5 
     
    
      294.243 
      8.19 
      8.19 
      0 
      6 
     
    
      263.237 
      9.63 
      9.63 
      0 
      23 
     
    
      532.338 
      8.85 
      8.85 
      0 
      36 
     
    
      200.164 
      7.81 
      7.81 
      0 
      23 
     
    
      440.171 
      6.14 
      6.14 
      0 
      8 
     
    
      1698.36 
      12.92 
      12.92 
      0 
      31 
     
    
      814.489 
      10.15 
      10.15 
      0 
      22 
     
    
      302.196 
      1.9 
      1.9 
      0 
      1 
     
    
      748.485 
      5.13 
      5.13 
      0 
      11 
      Massbank:EA019109 Clarithromycin|6-O-Methylerythromycin|(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl- 
      CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC 
      1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1 
      Organic oxygen compounds 
      Organooxygen compounds 
      Carbohydrates and carbohydrate conjugates 
      Macrolides 
      Erythromycins 
      Polyketides 
     
    
      282.279 
      11.68 
      11.68 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      CCCCCCCC/C=C\\CCCCCCCC(=O)N 
      InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      1054.3 
      12.34 
      12.34 
      0 
      3 
     
    
      696.265 
      6.34 
      6.34 
      0 
      13 
     
    
      991.673 
      8.62 
      8.62 
      0 
      4 
     
    
      1948.56 
      13.74 
      13.74 
      0 
      52 
     
    
      742.456 
      6.19 
      6.19 
      0 
      11 
     
    
      472.175 
      8.62 
      8.62 
      0 
      8 
     
    
      734.569 
      10.45 
      10.45 
      0 
      5 
      Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      245.226 
      9.88 
      9.88 
      0 
      6 
     
    
      390.134 
      6.41 
      6.41 
      0 
      8 
     
    
      1554.16 
      10.87 
      10.87 
      0 
      2 
     
    
      1641.31 
      11.86 
      11.86 
      0 
      35 
     
    
      496.34 
      9.18 
      9.18 
      0 
      4 
     
    
      520.197 
      6.5 
      6.5 
      0 
      13 
     
    
      538.388 
      10.08 
      10.08 
      0 
      4 
     
    
      402.285 
      7.46 
      7.46 
      0 
      18 
     
    
      1579.16 
      10.89 
      10.89 
      0 
      35 
     
    
      254.248 
      10.35 
      10.35 
      0 
      17 
     
    
      856.581 
      11.13 
      11.13 
      0 
      24 
     
    
      815.633 
      13.12 
      13.12 
      0 
      19 
     
    
      424.176 
      6.99 
      6.99 
      0 
      25 
     
    
      810.6 
      10.22 
      10.22 
      0 
      5 
      Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      563.551 
      11.4 
      11.4 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      356.067 
      3.94 
      3.94 
      0 
      33 
     
    
      1516.13 
      10.83 
      10.83 
      0 
      2 
     
    
      339.289 
      10.92 
      10.92 
      0 
      17 
      Spectral Match to Monoelaidin from NIST14 
      CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O 
      InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+ 
      Lipids and lipid-like molecules 
      Glycerolipids 
      Monoradylglycerols 
      Glycerolipids 
      Monoacylglycerols 
      Fatty acids 
     
    
      584.472 
      11.28 
      11.28 
      0 
      12 
     
    
      686.433 
      8.72 
      8.72 
      0 
      39 
     
    
      212.164 
      7.71 
      7.71 
      0 
      23 
     
    
      280.263 
      9.5 
      9.5 
      0 
      23 
     
    
      468.309 
      8.05 
      8.05 
      0 
      4 
     
    
      221.117 
      7.01 
      7.01 
      0 
      26 
     
    
      834.601 
      9.15 
      9.15 
      0 
      5 
      PC(18:0/22:6); [M+H]+ C48H85N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      293.284 
      12.41 
      12.41 
      0 
      17 
     
    
      278.248 
      8.88 
      8.88 
      0 
      23 
     
    
      1056.3 
      11.62 
      11.62 
      0 
      3 
     
    
      796.586 
      11.19 
      11.19 
      0 
      5 
      PC(17:0/20:4); [M+H]+ C45H83N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      576.374 
      4.24 
      4.24 
      0 
      11 
     
    
      422.16 
      7.13 
      7.13 
      0 
      8 
     
    
      636.281 
      6.07 
      6.07 
      0 
      30 
     
    
      420.18 
      11.35 
      11.35 
      0 
      8 
     
    
      730.474 
      5.51 
      5.51 
      0 
      11 
     
    
      1568.16 
      10.61 
      10.61 
      0 
      2 
     
    
      692.522 
      10.46 
      10.46 
      0 
      4 
     
    
      319.284 
      10.14 
      10.14 
      0 
      12 
     
    
      812.489 
      7.12 
      7.12 
      0 
      22 
     
    
      436.175 
      6.96 
      6.96 
      0 
      43 
     
    
      522.355 
      8.57 
      8.57 
      0 
      4 
      Spectral Match to 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      554.239 
      7.19 
      7.19 
      0 
      13 
     
    
      346.223 
      1.96 
      1.96 
      0 
      1 
     
    
      430.244 
      3.26 
      3.26 
      0 
      1 
     
    
      333.3 
      10.49 
      10.49 
      0 
      12 
     
    
      1291.92 
      9.18 
      9.18 
      0 
      4 
     
    
      824.623 
      11.23 
      11.23 
      0 
      5 
     
    
      338.342 
      13.64 
      13.64 
      0 
      17 
      Spectral Match to 13-Docosenamide, (Z)- from NIST14 
      CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N 
      InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      1517.14 
      11.41 
      11.41 
      0 
      2 
     
    
      300.217 
      2.46 
      2.46 
      0 
      1 
     
    
      1544.16 
      11.07 
      11.07 
      0 
      2 
     
    
      365.232 
      6.8 
      6.8 
      0 
      10 
     
    
      958.413 
      7.81 
      7.81 
      0 
      13 
     
    
      623.288 
      9.33 
      9.33 
      0 
      15 
     
    
      349.237 
      7.04 
      7.04 
      0 
      18 
     
    
      312.362 
      11.16 
      11.16 
      0 
      53 
     
    
      235.133 
      5.95 
      5.95 
      0 
      26 
     
    
      1786.41 
      13.18 
      13.18 
      0 
      38 
     
    
      763.598 
      12.4 
      12.4 
      0 
      19 
     
    
      1618.17 
      9.32 
      9.32 
      0 
      2 
     
    
      760.465 
      5.24 
      5.24 
      0 
      11 
     
    
      1253.9 
      8.64 
      8.64 
      0 
      4 
     
    
      748.448 
      4.54 
      4.54 
      0 
      11 
     
    
      1582.18 
      10.51 
      10.51 
      0 
      2 
     
    
      316.212 
      2.25 
      2.25 
      0 
      1 
     
    
      371.101 
      14.11 
      14.11 
      0 
      7 
      CAMPTOTHECIN 
      CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O 
      "InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3" 
      nan 
      nan 
      nan 
      Tryptophan alkaloids 
      Pyrroloquinoline alkaloids 
      Alkaloids 
     
    
      358.144 
      7.59 
      7.59 
      0 
      8 
     
    
      762.595 
      10.92 
      10.92 
      0 
      19 
      PC(16:0/18:0); [M+H]+ C42H85N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      506.361 
      8.35 
      8.35 
      0 
      22 
     
    
      812.615 
      6.39 
      6.39 
      0 
      5 
      PC(18:0/20:3); [M+H]+ C46H87N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      639.423 
      8.86 
      8.86 
      0 
      47 
     
    
      385.259 
      6.62 
      6.62 
      0 
      18 
     
    
      416.228 
      2.59 
      2.59 
      0 
      1 
     
    
      1594.18 
      10.85 
      10.85 
      0 
      2 
     
    
      650.297 
      6.53 
      6.53 
      0 
      30 
     
    
      820.583 
      10.32 
      10.32 
      0 
      5 
     
    
      272.186 
      2.79 
      2.79 
      0 
      1 
     
    
      780.552 
      13.7 
      13.7 
      0 
      24 
     
    
      580.254 
      7.84 
      7.84 
      0 
      13 
     
    
      377.326 
      10.53 
      10.53 
      0 
      12 
     
    
      438.379 
      10.67 
      10.67 
      0 
      12 
     
    
      394.353 
      10.53 
      10.53 
      0 
      12 
     
    
      388.154 
      9.57 
      9.57 
      0 
      8 
     
    
      720.592 
      10.78 
      10.78 
      0 
      5 
     
    
      409.175 
      7.68 
      7.68 
      0 
      16 
     
    
      1281.93 
      9.2 
      9.2 
      0 
      4 
     
    
      296.258 
      8.21 
      8.21 
      0 
      23 
     
    
      310.31 
      12.47 
      12.47 
      0 
      17 
     
    
      786.6 
      9.33 
      9.33 
      0 
      5 
      Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC 
      InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      360.227 
      2.14 
      2.14 
      0 
      1 
     
    
      655.418 
      8.08 
      8.08 
      0 
      47 
     
    
      568.457 
      9.19 
      9.19 
      0 
      1 
     
    
      261.012 
      3.07 
      3.07 
      0 
      9 
     
    
      510.356 
      9.49 
      9.49 
      0 
      4 
      Spectral Match to 1-Heptadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      1640.32 
      12.97 
      12.97 
      0 
      31 
     
    
      362.139 
      6.77 
      6.77 
      0 
      43 
     
    
      800.615 
      10.34 
      10.34 
      0 
      5 
      PC(18:2/19:0); [M+H]+ C45H87N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      716.458 
      5.46 
      5.46 
      0 
      11 
      Spectral Match to Erythromycin from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      370.144 
      7.16 
      7.16 
      0 
      14 
     
    
      342.149 
      8.05 
      8.05 
      0 
      8 
     
    
      255.232 
      8.66 
      8.66 
      0 
      17 
      Spectral Match to cis-9-Hexadecenoic acid from NIST14 
      CCCCCC/C=C\\CCCCCCCC(=O)O 
      InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty acids and conjugates 
      Fatty Acids and Conjugates 
      Unsaturated fatty acids 
      Fatty acids 
     
    
      376.154 
      8.66 
      8.66 
      0 
      40 
     
    
      381.299 
      11.1 
      11.1 
      0 
      17 
     
    
      866.535 
      7.46 
      7.46 
      0 
      22 
     
    
      1949.55 
      12.61 
      12.61 
      0 
      52 
     
    
      746.451 
      4.87 
      4.87 
      0 
      11 
     
    
      350.326 
      10.58 
      10.58 
      0 
      12 
     
    
      1681.33 
      12.83 
      12.83 
      0 
      31 
     
    
      713.416 
      7.84 
      7.84 
      0 
      1 
     
    
      546.354 
      9.29 
      9.29 
      0 
      36 
     
    
      518.493 
      12.73 
      12.73 
      0 
      51 
     
    
      324.289 
      9.94 
      9.94 
      0 
      23 
     
    
      428.058 
      6.61 
      6.61 
      0 
      32 
     
    
      392.149 
      6.4 
      6.4 
      0 
      25 
     
    
      780.552 
      12.53 
      12.53 
      0 
      24 
     
    
      346.143 
      8.57 
      8.57 
      0 
      40 
     
    
      326.378 
      11.4 
      11.4 
      0 
      53 
     
    
      1492.13 
      11.31 
      11.31 
      0 
      2 
     
    
      684.432 
      5.26 
      5.26 
      0 
      11 
     
    
      582.234 
      6.71 
      6.71 
      0 
      13 
     
    
      782.57 
      7.39 
      7.39 
      0 
      5 
      Spectral Match to 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      328.071 
      3.91 
      3.91 
      0 
      33 
     
    
      478.329 
      7.82 
      7.82 
      0 
      22 
     
    
      380.338 
      10.35 
      10.35 
      0 
      12 
     
    
      862.631 
      10.53 
      10.53 
      0 
      5 
     
    
      720.455 
      4.35 
      4.35 
      0 
      11 
     
    
      758.57 
      9.27 
      9.27 
      0 
      5 
      Spectral Match to 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      386.139 
      7.98 
      7.98 
      0 
      14 
     
    
      768.549 
      9.59 
      9.59 
      0 
      4 
      PE(18:0/20:4); [M+H]+ C43H79N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      540.354 
      5.15 
      5.15 
      0 
      11 
     
    
      1644.19 
      10.24 
      10.24 
      0 
      2 
     
    
      789.616 
      11.84 
      11.84 
      0 
      19 
     
    
      1055.3 
      12.93 
      12.93 
      0 
      3 
     
    
      399.31 
      10.51 
      10.51 
      0 
      17 
     
    
      568.218 
      6.03 
      6.03 
      0 
      13 
     
    
      672.417 
      8.27 
      8.27 
      0 
      39 
     
    
      548.229 
      7.25 
      7.25 
      0 
      13 
     
    
      482.324 
      7.78 
      7.78 
      0 
      4 
      Spectral Match to 1-Pentadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      308.294 
      10.58 
      10.58 
      0 
      17 
     
    
      540.426 
      8.46 
      8.46 
      0 
      1 
     
    
      864.519 
      7.4 
      7.4 
      0 
      22 
     
    
      500.483 
      12.64 
      12.64 
      0 
      51 
     
    
      2093.65 
      13.29 
      13.29 
      0 
      38 
     
    
      702.443 
      5.23 
      5.23 
      0 
      11 
     
    
      269.247 
      9.47 
      9.47 
      0 
      17 
     
    
      556.442 
      10.08 
      10.08 
      0 
      12 
     
    
      268.264 
      10.92 
      10.92 
      0 
      17 
     
    
      508.34 
      8.2 
      8.2 
      0 
      4 
     
    
      284.295 
      12.29 
      12.29 
      0 
      46 
      Spectral Match to Octadecanamide from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      514.499 
      14.02 
      14.02 
      0 
      51 
     
    
      713.421 
      8.95 
      8.95 
      0 
      1 
     
    
      360.16 
      7.52 
      7.52 
      0 
      8 
     
    
      566.239 
      7.34 
      7.34 
      0 
      13 
     
    
      1682.33 
      13.11 
      13.11 
      0 
      31 
     
    
      828.349 
      7.8 
      7.8 
      0 
      13 
     
    
      532.233 
      7.62 
      7.62 
      0 
      44 
     
    
      214.18 
      8.08 
      8.08 
      0 
      23 
     
    
      734.468 
      5.0 
      5.0 
      0 
      11 
      (-)-Erythromycin - 40.0 eV 
      CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O 
      InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 
      Organic oxygen compounds 
      Organooxygen compounds 
      Carbohydrates and carbohydrate conjugates 
      Macrolides 
      Erythromycins 
      Polyketides 
     
    
      261.124 
      3.15 
      3.15 
      0 
      9 
     
    
      524.371 
      9.69 
      9.69 
      0 
      4 
      Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      247.242 
      11.39 
      11.39 
      0 
      6 
     
    
      502.223 
      7.34 
      7.34 
      0 
      44 
     
    
      2494.71 
      13.33 
      13.33 
      0 
      3 
     
    
      1620.19 
      10.86 
      10.86 
      0 
      2 
     
    
      888.519 
      6.62 
      6.62 
      0 
      22 
     
    
      552.223 
      6.69 
      6.69 
      0 
      13 
     
    
      -42.036 
      -42 
      0.9769 
      0 
      2154 
      2143 
      2 
     
    
      -38.01 
      -38 
      0.9823 
      0 
      2154 
      2144 
      2 
     
    
      -24.002 
      -24 
      0.9903 
      0 
      2154 
      2156 
      2 
     
    
      -54.047 
      -54 
      0.9748 
      0 
      2154 
      2140 
      2 
     
    
      -52.03 
      -52 
      0.9959 
      0 
      2154 
      2141 
      2 
     
    
      -28.029 
      -28 
      0.9905 
      0 
      2154 
      2145 
      2 
     
    
      -26.016 
      -26 
      0.9919 
      0 
      2154 
      2146 
      2 
     
    
      -4.028 
      -4 
      0.9763 
      0 
      2154 
      2152 
      2 
     
    
      -2.015 
      -2 
      0.991 
      0 
      2154 
      2153 
      2 
     
    
      -48.002 
      -48 
      0.9849 
      0 
      2154 
      2158 
      2 
     
    
      -1.011 
      -1 
      0.9471 
      0 
      2149 
      2148 
      35 
     
    
      61.148 
      61 
      0.878 
      0 
      2149 
      1899 
      35 
     
    
      -116.063 
      -116 
      0.9892 
      0 
      1813 
      1948 
      5 
     
    
      -64.032 
      -64 
      0.9874 
      0 
      1813 
      1887 
      5 
     
    
      -40.032 
      -40 
      0.9862 
      0 
      1813 
      1863 
      5 
     
    
      -36.002 
      -36 
      0.986 
      0 
      1813 
      1861 
      5 
     
    
      -88.033 
      -88 
      0.9858 
      0 
      1813 
      1912 
      5 
     
    
      -14.015 
      -14 
      0.9893 
      0 
      1813 
      1795 
      5 
     
    
      -0.039 
      0 
      0.9863 
      0 
      1813 
      1814 
      5 
     
    
      -12.002 
      -12 
      0.9872 
      0 
      1813 
      1831 
      5 
     
    
      -54.047 
      -54 
      0.9876 
      0 
      1813 
      1878 
      5 
     
    
      -16.037 
      -16 
      0.9748 
      0 
      2140 
      2144 
      2 
     
    
      -50.013 
      -50 
      0.9666 
      0 
      2140 
      2130 
      2 
     
    
      -25.008 
      -25 
      0.9772 
      0 
      2140 
      2133 
      2 
     
    
      -50.019 
      -50 
      0.9739 
      0 
      2140 
      2152 
      2 
     
    
      -2.017 
      -2 
      0.9899 
      0 
      2140 
      2141 
      2 
     
    
      -26.018 
      -26 
      0.9841 
      0 
      2140 
      2145 
      2 
     
    
      -52.032 
      -52 
      0.9818 
      0 
      2140 
      2153 
      2 
     
    
      -28.031 
      -28 
      0.9855 
      0 
      2140 
      2146 
      2 
     
    
      -13.979 
      -13 
      0.8765 
      0 
      1370 
      1319 
      4 
     
    
      -18.011 
      -18 
      0.7172 
      0 
      772 
      849 
      18 
     
    
      -220.13 
      -220 
      0.746 
      0 
      978 
      1616 
      12 
     
    
      -132.078 
      -132 
      0.796 
      0 
      978 
      1424 
      12 
     
    
      -47.038 
      -47 
      0.701 
      0 
      978 
      809 
      12 
     
    
      -44.026 
      -44 
      0.8541 
      0 
      978 
      823 
      12 
     
    
      -30.011 
      -30 
      0.7363 
      0 
      978 
      882 
      12 
     
    
      -14.015 
      -14 
      0.8522 
      0 
      978 
      1022 
      12 
     
    
      -160.108 
      -160 
      0.743 
      0 
      978 
      1506 
      12 
     
    
      -66.05 
      -66 
      0.98 
      0 
      2144 
      2130 
      2 
     
    
      -28.023 
      -28 
      0.9743 
      0 
      2144 
      2136 
      2 
     
    
      -14.02 
      -14 
      0.9841 
      0 
      2144 
      2141 
      2 
     
    
      -9.981 
      -9 
      0.9795 
      0 
      2144 
      2145 
      2 
     
    
      -11.994 
      -11 
      0.9806 
      0 
      2144 
      2146 
      2 
     
    
      -24.001 
      -24 
      0.9783 
      0 
      2144 
      2150 
      2 
     
    
      -35.995 
      -35 
      0.984 
      0 
      2144 
      2153 
      2 
     
    
      -62.012 
      -62 
      0.9853 
      0 
      2144 
      2156 
      2 
     
    
      -15.996 
      -15 
      0.7736 
      0 
      799 
      865 
      8 
     
    
      -15.994 
      -15 
      0.7132 
      0 
      799 
      729 
      8 
     
    
      -14.016 
      -14 
      0.7549 
      0 
      799 
      858 
      8 
     
    
      -130.078 
      -130 
      0.9881 
      0 
      1795 
      1948 
      5 
     
    
      -78.047 
      -78 
      0.9922 
      0 
      1795 
      1887 
      5 
     
    
      -54.047 
      -54 
      0.9925 
      0 
      1795 
      1863 
      5 
     
    
      -50.017 
      -50 
      0.9941 
      0 
      1795 
      1861 
      5 
     
    
      -102.048 
      -102 
      0.9914 
      0 
      1795 
      1912 
      5 
     
    
      -26.017 
      -26 
      0.9952 
      0 
      1795 
      1831 
      5 
     
    
      -40.03 
      -40 
      0.9914 
      0 
      1795 
      1844 
      5 
     
    
      -14.054 
      -14 
      0.9881 
      0 
      1795 
      1814 
      5 
     
    
      -68.062 
      -68 
      0.9889 
      0 
      1795 
      1878 
      5 
     
    
      -14.018 
      -14 
      0.8409 
      0 
      1668 
      1634 
      20 
     
    
      -38.008 
      -38 
      0.9774 
      0 
      2152 
      2143 
      2 
     
    
      -28.03 
      -28 
      0.9876 
      0 
      2152 
      2156 
      2 
     
    
      -100.032 
      -100 
      0.9793 
      0 
      2152 
      2130 
      2 
     
    
      -76.03 
      -76 
      0.9758 
      0 
      2152 
      2132 
      2 
     
    
      -48.002 
      -48 
      0.9836 
      0 
      2152 
      2141 
      2 
     
    
      -24.001 
      -24 
      0.9923 
      0 
      2152 
      2145 
      2 
     
    
      -2.013 
      -2 
      0.9832 
      0 
      2152 
      2153 
      2 
     
    
      -52.03 
      -52 
      0.9822 
      0 
      2152 
      2158 
      2 
     
    
      -23.997 
      -23 
      0.9227 
      0 
      2109 
      2113 
      4 
     
    
      -276.246 
      -276 
      0.8262 
      0 
      2109 
      2049 
      4 
     
    
      -14.016 
      -14 
      0.965 
      0 
      2109 
      2108 
      4 
     
    
      -14.015 
      -14 
      0.9631 
      0 
      2109 
      2112 
      4 
     
    
      -0.036 
      0 
      0.8706 
      0 
      651 
      650 
      45 
     
    
      -14.016 
      -14 
      0.7249 
      0 
      968 
      924 
      16 
     
    
      -90.048 
      -90 
      0.993 
      0 
      1844 
      1948 
      5 
     
    
      -38.017 
      -38 
      0.9907 
      0 
      1844 
      1887 
      5 
     
    
      -9.987 
      -9 
      0.9899 
      0 
      1844 
      1861 
      5 
     
    
      -69.008 
      -69 
      0.996 
      0 
      1844 
      1753 
      5 
     
    
      -38.014 
      -38 
      0.9892 
      0 
      1844 
      1797 
      5 
     
    
      -14.013 
      -14 
      0.9902 
      0 
      1844 
      1831 
      5 
     
    
      -48.0 
      -48 
      0.9918 
      0 
      1844 
      1897 
      5 
     
    
      -25.976 
      -25 
      0.9964 
      0 
      1844 
      1814 
      5 
     
    
      -28.032 
      -28 
      0.9976 
      0 
      1844 
      1878 
      5 
     
    
      -28.032 
      -28 
      0.908 
      0 
      962 
      918 
      22 
     
    
      -23.998 
      -23 
      0.7678 
      0 
      962 
      1001 
      22 
     
    
      -26.014 
      -26 
      0.7958 
      0 
      962 
      1004 
      22 
     
    
      -47.998 
      -47 
      0.7728 
      0 
      962 
      1043 
      22 
     
    
      -14.015 
      -14 
      0.8228 
      0 
      1021 
      973 
      25 
     
    
      -15.995 
      -15 
      0.7702 
      0 
      1361 
      1407 
      13 
     
    
      -146.022 
      -146 
      0.7777 
      0 
      1361 
      1702 
      13 
     
    
      -160.037 
      -160 
      0.7043 
      0 
      1361 
      1736 
      13 
     
    
      -422.185 
      -422 
      0.7524 
      0 
      1361 
      2026 
      13 
     
    
      -18.01 
      -18 
      0.9271 
      0 
      1742 
      1776 
      11 
     
    
      -158.094 
      -158 
      0.7629 
      0 
      1742 
      1374 
      11 
     
    
      -62.017 
      -62 
      0.8085 
      0 
      1742 
      1833 
      11 
     
    
      -32.026 
      -32 
      0.9049 
      0 
      1742 
      1790 
      11 
     
    
      -50.0 
      -50 
      0.8333 
      0 
      1742 
      1819 
      11 
     
    
      -140.084 
      -140 
      0.7686 
      0 
      1742 
      1430 
      11 
     
    
      -22.007 
      -22 
      0.8115 
      0 
      1742 
      1781 
      11 
     
    
      -36.02 
      -36 
      0.8802 
      0 
      1742 
      1796 
      11 
     
    
      -44.008 
      -44 
      0.8953 
      0 
      1742 
      1806 
      11 
     
    
      -50.037 
      -50 
      0.9114 
      0 
      1742 
      1820 
      11 
     
    
      -23.999 
      -23 
      0.7764 
      0 
      1830 
      1858 
      24 
     
    
      -23.999 
      -23 
      0.8234 
      0 
      1830 
      1856 
      24 
     
    
      -100.028 
      -100 
      0.8155 
      0 
      1830 
      1934 
      24 
     
    
      -14.015 
      -14 
      0.9202 
      0 
      1381 
      1430 
      11 
     
    
      -116.024 
      -116 
      0.9892 
      0 
      1814 
      1948 
      5 
     
    
      -63.993 
      -63 
      0.9882 
      0 
      1814 
      1887 
      5 
     
    
      -43.032 
      -43 
      0.9913 
      0 
      1814 
      1753 
      5 
     
    
      -12.038 
      -12 
      0.9872 
      0 
      1814 
      1797 
      5 
     
    
      -73.976 
      -73 
      0.9881 
      0 
      1814 
      1897 
      5 
     
    
      -54.008 
      -54 
      0.9954 
      0 
      1814 
      1878 
      5 
     
    
      -50.018 
      -50 
      0.9836 
      0 
      2146 
      2156 
      2 
     
    
      -53.039 
      -53 
      0.9812 
      0 
      2146 
      2133 
      2 
     
    
      -74.018 
      -74 
      0.9717 
      0 
      2146 
      2158 
      2 
     
    
      -26.014 
      -26 
      0.9918 
      0 
      2146 
      2141 
      2 
     
    
      -2.013 
      -2 
      0.9865 
      0 
      2146 
      2145 
      2 
     
    
      -24.001 
      -24 
      0.9886 
      0 
      2146 
      2153 
      2 
     
    
      -144.043 
      -144 
      0.7973 
      0 
      1111 
      557 
      1 
     
    
      -44.027 
      -44 
      0.8612 
      0 
      1111 
      947 
      1 
     
    
      -30.011 
      -30 
      0.8507 
      0 
      1111 
      995 
      1 
     
    
      -14.016 
      -14 
      0.8861 
      0 
      1386 
      1337 
      44 
     
    
      -14.016 
      -14 
      0.7127 
      0 
      1191 
      1227 
      4 
     
    
      -14.015 
      -14 
      0.7054 
      0 
      1191 
      1138 
      4 
     
    
      -14.015 
      -14 
      0.7251 
      0 
      1702 
      1736 
      13 
     
    
      -231.028 
      -231 
      0.7124 
      0 
      1702 
      1068 
      13 
     
    
      -162.053 
      -162 
      0.7262 
      0 
      1702 
      1300 
      13 
     
    
      -130.027 
      -130 
      0.7169 
      0 
      1702 
      1407 
      13 
     
    
      -74.019 
      -74 
      0.8416 
      0 
      1046 
      786 
      7 
     
    
      -377.127 
      -377 
      0.7014 
      0 
      1068 
      1907 
      13 
     
    
      -507.191 
      -507 
      0.7255 
      0 
      1068 
      2026 
      13 
     
    
      -28.032 
      -28 
      0.9289 
      0 
      246 
      389 
      46 
     
    
      -14.016 
      -14 
      0.7185 
      0 
      1525 
      1559 
      15 
     
    
      -18.011 
      -18 
      0.7408 
      0 
      840 
      763 
      10 
     
    
      -17.026 
      -17 
      0.7021 
      0 
      840 
      902 
      10 
     
    
      -158.094 
      -158 
      0.8133 
      0 
      1430 
      1776 
      11 
     
    
      -18.01 
      -18 
      0.9092 
      0 
      1430 
      1477 
      11 
     
    
      -18.01 
      -18 
      0.9374 
      0 
      1430 
      1374 
      11 
     
    
      -172.11 
      -172 
      0.7544 
      0 
      1430 
      1790 
      11 
     
    
      -190.084 
      -190 
      0.8997 
      0 
      1430 
      1819 
      11 
     
    
      -25.021 
      -25 
      0.7661 
      0 
      237 
      364 
      23 
     
    
      -42.047 
      -42 
      0.8354 
      0 
      237 
      450 
      23 
     
    
      -70.078 
      -70 
      0.7517 
      0 
      237 
      588 
      23 
     
    
      -250.141 
      -250 
      0.735 
      0 
      1616 
      882 
      12 
     
    
      -88.052 
      -88 
      0.8513 
      0 
      1616 
      1424 
      12 
     
    
      -60.022 
      -60 
      0.7909 
      0 
      1616 
      1506 
      12 
     
    
      -18.011 
      -18 
      0.8364 
      0 
      119 
      46 
      23 
     
    
      -59.037 
      -59 
      0.8637 
      0 
      1206 
      985 
      32 
     
    
      -23.997 
      -23 
      0.9695 
      0 
      2136 
      2143 
      2 
     
    
      -52.024 
      -52 
      0.9599 
      0 
      2136 
      2150 
      2 
     
    
      -38.027 
      -38 
      0.9709 
      0 
      2136 
      2130 
      2 
     
    
      -24.004 
      -24 
      0.7165 
      0 
      1869 
      1839 
      4 
     
    
      -15.995 
      -15 
      0.7167 
      0 
      1012 
      959 
      8 
     
    
      -14.015 
      -14 
      0.7283 
      0 
      1012 
      965 
      8 
     
    
      -28.032 
      -28 
      0.8429 
      0 
      284 
      437 
      17 
     
    
      -74.037 
      -74 
      0.939 
      0 
      284 
      647 
      17 
     
    
      -11.004 
      -11 
      0.747 
      0 
      284 
      238 
      17 
     
    
      -3.012 
      -3 
      0.7047 
      0 
      284 
      299 
      17 
     
    
      -116.047 
      -116 
      0.8204 
      0 
      284 
      833 
      17 
     
    
      -134.058 
      -134 
      0.7233 
      0 
      284 
      898 
      17 
     
    
      -17.026 
      -17 
      0.703 
      0 
      364 
      450 
      23 
     
    
      -14.015 
      -14 
      0.7017 
      0 
      1559 
      1586 
      15 
     
    
      -1.004 
      -1 
      0.7192 
      0 
      876 
      872 
      25 
     
    
      -24.0 
      -24 
      0.9038 
      0 
      955 
      918 
      22 
     
    
      -28.03 
      -28 
      0.8636 
      0 
      955 
      1001 
      22 
     
    
      330.128 
      330 
      0.719 
      0 
      955 
      1254 
      22 
     
    
      -41.055 
      -41 
      0.7524 
      0 
      1840 
      2148 
      35 
     
    
      -38.016 
      -38 
      0.9865 
      0 
      1915 
      1878 
      5 
     
    
      -26.016 
      -26 
      0.9837 
      0 
      1915 
      1888 
      5 
     
    
      -159.056 
      -159 
      0.9926 
      0 
      1753 
      1948 
      5 
     
    
      -17.017 
      -17 
      0.9885 
      0 
      1753 
      1782 
      5 
     
    
      -78.995 
      -78 
      0.9885 
      0 
      1753 
      1861 
      5 
     
    
      -131.026 
      -131 
      0.9877 
      0 
      1753 
      1912 
      5 
     
    
      -54.995 
      -54 
      0.9885 
      0 
      1753 
      1831 
      5 
     
    
      -97.04 
      -97 
      0.9925 
      0 
      1753 
      1878 
      5 
     
    
      -117.008 
      -117 
      0.9885 
      0 
      1753 
      1897 
      5 
     
    
      -47.001 
      -47 
      0.7247 
      0 
      442 
      204 
      6 
     
    
      -17.026 
      -17 
      0.7223 
      0 
      275 
      367 
      23 
     
    
      -15.011 
      -15 
      0.8267 
      0 
      275 
      359 
      23 
     
    
      -61.052 
      -61 
      0.8383 
      0 
      275 
      588 
      23 
     
    
      -14.016 
      -14 
      0.8399 
      0 
      1339 
      1387 
      36 
     
    
      -78.084 
      -78 
      0.7227 
      0 
      2 
      359 
      23 
     
    
      -18.011 
      -18 
      0.7404 
      0 
      1026 
      965 
      8 
     
    
      -17.032 
      -17 
      0.7712 
      0 
      1927 
      1919 
      31 
     
    
      -58.04 
      -58 
      0.9326 
      0 
      1927 
      1898 
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                                                                                                                                                                                                                                                                                                                                                                                             nf_output/networking/components/                                                                    0000755 0000000 0000000 00000000000 14572074606 016166  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/networking/components/component_5.graphml                                                 0000644 0000000 0000000 00000005266 14572074606 022001  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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                                                                                                                                                                                                                                                                                                                                          nf_output/networking/components/component_1.graphml                                                 0000644 0000000 0000000 00000054363 14572074606 021777  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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                                                                                                                                                                                                                                                                             nf_output/networking/components/component_9.graphml                                                 0000644 0000000 0000000 00000003377 14572074606 022006  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      340.393 
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      0 
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      9.6 
      9.6 
      0 
      45 
     
    
      -0.036 
      0 
      0.8706 
      0 
      651 
      650 
      45 
     
   
 
                                                                                                                                                                                                                                                                 nf_output/networking/components/component_22.graphml                                                0000644 0000000 0000000 00000022365 14572074606 022057  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      280.263 
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      0 
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      23 
     
    
      200.164 
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      0 
      23 
     
    
      296.258 
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      0 
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      214.18 
      8.08 
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      0 
      23 
     
    
      279.232 
      9.02 
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      23 
      NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585] 
      CCCCCCCCC1OC1C(O)CCCCCCC(O)=O 
      InChI=1S/C18H34O4/c1-2-3-4-5-6-10-13-16-18(22-16)15(19)12-9-7-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21) 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Lineolic acids and derivatives 
      Octadecanoids 
      Other Octadecanoids 
      Fatty acids 
     
    
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      0 
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      0 
      23 
     
    
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      0 
      23 
     
    
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      0 
      23 
     
    
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      -17.026 
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      -66.083 
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      -2.015 
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      -44.026 
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      -18.011 
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      23 
     
    
      -2.016 
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      0.755 
      0 
      46 
      53 
      23 
     
    
      -78.084 
      -78 
      0.7227 
      0 
      2 
      359 
      23 
     
    
      -42.047 
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      0.8354 
      0 
      237 
      450 
      23 
     
    
      -17.026 
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      0 
      364 
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      -18.01 
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      0 
      359 
      450 
      23 
     
    
      -28.031 
      -28 
      0.8208 
      0 
      450 
      588 
      23 
     
    
      -25.021 
      -25 
      0.7661 
      0 
      237 
      364 
      23 
     
    
      -70.078 
      -70 
      0.7517 
      0 
      237 
      588 
      23 
     
    
      -61.052 
      -61 
      0.8383 
      0 
      275 
      588 
      23 
     
    
      -46.041 
      -46 
      0.8162 
      0 
      359 
      588 
      23 
     
    
      -15.011 
      -15 
      0.8267 
      0 
      275 
      359 
      23 
     
   
 
                                                                                                                                                                                                                                                                           nf_output/networking/components/component_26.graphml                                                0000644 0000000 0000000 00000003410 14572074606 022051  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      532.338 
      8.85 
      8.85 
      0 
      36 
     
    
      546.354 
      9.29 
      9.29 
      0 
      36 
     
    
      -14.016 
      -14 
      0.8399 
      0 
      1339 
      1387 
      36 
     
   
 
                                                                                                                                                                                                                                                        nf_output/networking/components/component_37.graphml                                                0000644 0000000 0000000 00000003414 14572074606 022057  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      1786.41 
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      13.18 
      0 
      38 
     
    
      2093.65 
      13.29 
      13.29 
      0 
      38 
     
    
      307.235 
      307 
      0.7657 
      0 
      1981 
      1744 
      38 
     
   
 
                                                                                                                                                                                                                                                    nf_output/networking/components/component_33.graphml                                                0000644 0000000 0000000 00000003377 14572074606 022063  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      221.117 
      7.01 
      7.01 
      0 
      26 
     
    
      235.133 
      5.95 
      5.95 
      0 
      26 
     
    
      -14.016 
      -14 
      0.8567 
      0 
      75 
      135 
      26 
     
   
 
                                                                                                                                                                                                                                                                 nf_output/networking/components/component_10.graphml                                                0000644 0000000 0000000 00000003402 14572074606 022043  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      409.175 
      7.68 
      7.68 
      0 
      16 
     
    
      423.191 
      8.97 
      8.97 
      0 
      16 
     
    
      -14.016 
      -14 
      0.7249 
      0 
      968 
      924 
      16 
     
   
 
                                                                                                                                                                                                                                                              nf_output/networking/components/component_14.graphml                                                0000644 0000000 0000000 00000056637 14572074606 022071  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      540.354 
      5.15 
      5.15 
      0 
      11 
     
    
      698.448 
      5.54 
      5.54 
      0 
      11 
     
    
      730.474 
      5.51 
      5.51 
      0 
      11 
     
    
      558.364 
      5.1 
      5.1 
      0 
      11 
     
    
      720.455 
      4.35 
      4.35 
      0 
      11 
     
    
      716.458 
      5.46 
      5.46 
      0 
      11 
      Spectral Match to Erythromycin from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      748.448 
      4.54 
      4.54 
      0 
      11 
     
    
      760.465 
      5.24 
      5.24 
      0 
      11 
     
    
      742.456 
      6.19 
      6.19 
      0 
      11 
     
    
      734.468 
      5.0 
      5.0 
      0 
      11 
      (-)-Erythromycin - 40.0 eV 
      CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O 
      InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 
      Organic oxygen compounds 
      Organooxygen compounds 
      Carbohydrates and carbohydrate conjugates 
      Macrolides 
      Erythromycins 
      Polyketides 
     
    
      748.485 
      5.13 
      5.13 
      0 
      11 
      Massbank:EA019109 Clarithromycin|6-O-Methylerythromycin|(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl- 
      CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC 
      1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1 
      Organic oxygen compounds 
      Organooxygen compounds 
      Carbohydrates and carbohydrate conjugates 
      Macrolides 
      Erythromycins 
      Polyketides 
     
    
      684.432 
      5.26 
      5.26 
      0 
      11 
     
    
      702.443 
      5.23 
      5.23 
      0 
      11 
     
    
      576.374 
      4.24 
      4.24 
      0 
      11 
     
    
      746.451 
      4.87 
      4.87 
      0 
      11 
     
    
      544.349 
      5.22 
      5.22 
      0 
      11 
     
    
      -158.094 
      -158 
      0.7629 
      0 
      1742 
      1374 
      11 
     
    
      -18.01 
      -18 
      0.9374 
      0 
      1430 
      1374 
      11 
     
    
      -36.02 
      -36 
      0.8907 
      0 
      1477 
      1374 
      11 
     
    
      -190.12 
      -190 
      0.7452 
      0 
      1790 
      1374 
      11 
     
    
      -208.094 
      -208 
      0.9042 
      0 
      1819 
      1374 
      11 
     
    
      -176.104 
      -176 
      0.8097 
      0 
      1776 
      1374 
      11 
     
    
      -180.101 
      -180 
      0.833 
      0 
      1781 
      1374 
      11 
     
    
      -18.01 
      -18 
      0.9271 
      0 
      1742 
      1776 
      11 
     
    
      -62.017 
      -62 
      0.8085 
      0 
      1742 
      1833 
      11 
     
    
      -32.026 
      -32 
      0.9049 
      0 
      1742 
      1790 
      11 
     
    
      -50.0 
      -50 
      0.8333 
      0 
      1742 
      1819 
      11 
     
    
      -140.084 
      -140 
      0.7686 
      0 
      1742 
      1430 
      11 
     
    
      -22.007 
      -22 
      0.8115 
      0 
      1742 
      1781 
      11 
     
    
      -36.02 
      -36 
      0.8802 
      0 
      1742 
      1796 
      11 
     
    
      -44.008 
      -44 
      0.8953 
      0 
      1742 
      1806 
      11 
     
    
      -50.037 
      -50 
      0.9114 
      0 
      1742 
      1820 
      11 
     
    
      -172.11 
      -172 
      0.7544 
      0 
      1430 
      1790 
      11 
     
    
      -18.011 
      -18 
      0.9013 
      0 
      1820 
      1790 
      11 
     
    
      -11.982 
      -11 
      0.888 
      0 
      1806 
      1790 
      11 
     
    
      -14.016 
      -14 
      0.912 
      0 
      1790 
      1776 
      11 
     
    
      -29.991 
      -29 
      0.7937 
      0 
      1790 
      1833 
      11 
     
    
      -10.019 
      -10 
      0.8073 
      0 
      1790 
      1781 
      11 
     
    
      -3.994 
      -3 
      0.8578 
      0 
      1790 
      1796 
      11 
     
    
      -17.974 
      -17 
      0.8097 
      0 
      1790 
      1819 
      11 
     
    
      -14.015 
      -14 
      0.9202 
      0 
      1381 
      1430 
      11 
     
    
      -158.094 
      -158 
      0.8133 
      0 
      1430 
      1776 
      11 
     
    
      -18.01 
      -18 
      0.9092 
      0 
      1430 
      1477 
      11 
     
    
      -190.084 
      -190 
      0.8997 
      0 
      1430 
      1819 
      11 
     
    
      -28.03 
      -28 
      0.8437 
      0 
      1820 
      1781 
      11 
     
    
      -22.001 
      -22 
      0.7448 
      0 
      1806 
      1781 
      11 
     
    
      -40.01 
      -40 
      0.7171 
      0 
      1833 
      1781 
      11 
     
    
      -27.993 
      -27 
      0.8572 
      0 
      1819 
      1781 
      11 
     
    
      -3.997 
      -3 
      0.8022 
      0 
      1776 
      1781 
      11 
     
    
      -18.012 
      -18 
      0.7051 
      0 
      1781 
      1751 
      11 
     
    
      -14.013 
      -14 
      0.7788 
      0 
      1781 
      1796 
      11 
     
    
      -32.027 
      -32 
      0.9513 
      0 
      1820 
      1776 
      11 
     
    
      -25.998 
      -25 
      0.9426 
      0 
      1806 
      1776 
      11 
     
    
      -44.007 
      -44 
      0.8709 
      0 
      1833 
      1776 
      11 
     
    
      -31.99 
      -31 
      0.8806 
      0 
      1819 
      1776 
      11 
     
    
      -18.01 
      -18 
      0.9434 
      0 
      1776 
      1796 
      11 
     
    
      -0.037 
      0 
      0.8923 
      0 
      1820 
      1819 
      11 
     
    
      -5.992 
      -5 
      0.8183 
      0 
      1806 
      1819 
      11 
     
    
      -172.074 
      -172 
      0.887 
      0 
      1477 
      1819 
      11 
     
    
      -13.98 
      -13 
      0.8488 
      0 
      1819 
      1796 
      11 
     
    
      -11.98 
      -11 
      0.884 
      0 
      1820 
      1833 
      11 
     
    
      -18.009 
      -18 
      0.8595 
      0 
      1806 
      1833 
      11 
     
    
      -25.997 
      -25 
      0.9414 
      0 
      1833 
      1796 
      11 
     
    
      -6.029 
      -6 
      0.9301 
      0 
      1820 
      1806 
      11 
     
    
      -40.013 
      -40 
      0.76 
      0 
      1806 
      1751 
      11 
     
    
      -7.988 
      -7 
      0.9346 
      0 
      1806 
      1796 
      11 
     
    
      -3.995 
      -3 
      0.8289 
      0 
      1806 
      1811 
      11 
     
    
      -14.017 
      -14 
      0.9396 
      0 
      1820 
      1796 
      11 
     
    
      -11.983 
      -11 
      0.8303 
      0 
      1811 
      1796 
      11 
     
    
      -32.025 
      -32 
      0.7765 
      0 
      1751 
      1796 
      11 
     
    
      -46.042 
      -46 
      0.7978 
      0 
      1820 
      1751 
      11 
     
    
      -2.034 
      -2 
      0.8142 
      0 
      1820 
      1811 
      11 
     
    
      -18.011 
      -18 
      0.8097 
      0 
      1714 
      1751 
      11 
     
    
      -44.008 
      -44 
      0.8422 
      0 
      1811 
      1751 
      11 
     
   
 
                                                                                                 nf_output/networking/components/component_18.graphml                                                0000644 0000000 0000000 00000006025 14572074606 022057  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      445.12 
      14.72 
      14.72 
      0 
      7 
     
    
      371.101 
      14.11 
      14.11 
      0 
      7 
      CAMPTOTHECIN 
      CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O 
      "InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3" 
      nan 
      nan 
      nan 
      Tryptophan alkaloids 
      Pyrroloquinoline alkaloids 
      Alkaloids 
     
    
      -74.019 
      -74 
      0.8416 
      0 
      1046 
      786 
      7 
     
   
 
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           nf_output/networking/components/component_36.graphml                                                0000644 0000000 0000000 00000003404 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      312.362 
      11.16 
      11.16 
      0 
      53 
     
    
      326.378 
      11.4 
      11.4 
      0 
      53 
     
    
      -14.016 
      -14 
      0.9556 
      0 
      541 
      593 
      53 
     
   
 
                                                                                                                                                                                                                                                            nf_output/networking/components/component_32.graphml                                                0000644 0000000 0000000 00000003410 14572074606 022046  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      686.433 
      8.72 
      8.72 
      0 
      39 
     
    
      672.417 
      8.27 
      8.27 
      0 
      39 
     
    
      -14.016 
      -14 
      0.8132 
      0 
      1716 
      1679 
      39 
     
   
 
                                                                                                                                                                                                                                                        nf_output/networking/components/component_19.graphml                                                0000644 0000000 0000000 00000006523 14572074606 022063  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      284.295 
      12.29 
      12.29 
      0 
      46 
      Spectral Match to Octadecanamide from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      256.263 
      11.19 
      11.19 
      0 
      46 
      Spectral Match to Palmitamide from NIST14 
      CCCCCCCCCCCCCCCC(=O)N 
      InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      -28.032 
      -28 
      0.9289 
      0 
      246 
      389 
      46 
     
   
 
                                                                                                                                                                             nf_output/networking/components/component_11.graphml                                                0000644 0000000 0000000 00000015237 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      814.489 
      10.15 
      10.15 
      0 
      22 
     
    
      866.535 
      7.46 
      7.46 
      0 
      22 
     
    
      812.489 
      7.12 
      7.12 
      0 
      22 
     
    
      864.519 
      7.4 
      7.4 
      0 
      22 
     
    
      888.519 
      6.62 
      6.62 
      0 
      22 
     
    
      478.329 
      7.82 
      7.82 
      0 
      22 
     
    
      840.521 
      6.67 
      6.67 
      0 
      22 
     
    
      506.361 
      8.35 
      8.35 
      0 
      22 
     
    
      836.489 
      7.4 
      7.4 
      0 
      22 
     
    
      308.128 
      308 
      0.7027 
      0 
      920 
      1254 
      22 
     
    
      -26.014 
      -26 
      0.7958 
      0 
      962 
      1004 
      22 
     
    
      -2.016 
      -2 
      0.7872 
      0 
      1004 
      1001 
      22 
     
    
      -21.984 
      -21 
      0.7762 
      0 
      1004 
      1043 
      22 
     
    
      -28.032 
      -28 
      0.908 
      0 
      962 
      918 
      22 
     
    
      -24.0 
      -24 
      0.9038 
      0 
      955 
      918 
      22 
     
    
      -23.998 
      -23 
      0.7678 
      0 
      962 
      1001 
      22 
     
    
      -28.03 
      -28 
      0.8636 
      0 
      955 
      1001 
      22 
     
    
      358.158 
      358 
      0.7518 
      0 
      1254 
      1001 
      22 
     
    
      386.19 
      386 
      0.7351 
      0 
      1181 
      1001 
      22 
     
    
      -24.0 
      -24 
      0.8246 
      0 
      1001 
      1043 
      22 
     
    
      -47.998 
      -47 
      0.7728 
      0 
      962 
      1043 
      22 
     
    
      -28.032 
      -28 
      0.9729 
      0 
      1254 
      1181 
      22 
     
    
      330.128 
      330 
      0.719 
      0 
      955 
      1254 
      22 
     
   
 
                                                                                                                                                                                                                                                                                                                                                                 nf_output/networking/components/component_15.graphml                                                0000644 0000000 0000000 00000011247 14572074606 022056  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      756.553 
      12.53 
      12.53 
      0 
      24 
      Spectral Match to 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      856.581 
      11.13 
      11.13 
      0 
      24 
     
    
      780.552 
      13.7 
      13.7 
      0 
      24 
     
    
      780.552 
      12.53 
      12.53 
      0 
      24 
     
    
      -23.999 
      -23 
      0.7764 
      0 
      1830 
      1858 
      24 
     
    
      -23.999 
      -23 
      0.8234 
      0 
      1830 
      1856 
      24 
     
    
      -100.028 
      -100 
      0.8155 
      0 
      1830 
      1934 
      24 
     
    
      -76.029 
      -76 
      0.7294 
      0 
      1934 
      1858 
      24 
     
    
      -76.029 
      -76 
      0.8641 
      0 
      1934 
      1856 
      24 
     
    
      0.0 
      0 
      0.8216 
      0 
      1858 
      1856 
      24 
     
   
 
                                                                                                                                                                                                                                                                                                                                                         nf_output/networking/components/component_8.graphml                                                 0000644 0000000 0000000 00000003410 14572074606 021771  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      652.275 
      5.83 
      5.83 
      0 
      20 
     
    
      666.293 
      6.33 
      6.33 
      0 
      20 
     
    
      -14.018 
      -14 
      0.8409 
      0 
      1668 
      1634 
      20 
     
   
 
                                                                                                                                                                                                                                                        nf_output/networking/components/component_4.graphml                                                 0000644 0000000 0000000 00000034470 14572074606 021777  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      496.34 
      9.18 
      9.18 
      0 
      4 
     
    
      792.553 
      7.15 
      7.15 
      0 
      4 
     
    
      538.35 
      9.46 
      9.46 
      0 
      4 
     
    
      510.356 
      9.49 
      9.49 
      0 
      4 
      Spectral Match to 1-Heptadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      1267.92 
      9.07 
      9.07 
      0 
      4 
     
    
      522.355 
      8.57 
      8.57 
      0 
      4 
      Spectral Match to 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      524.371 
      9.69 
      9.69 
      0 
      4 
      Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      508.34 
      8.2 
      8.2 
      0 
      4 
     
    
      482.324 
      8.79 
      8.79 
      0 
      4 
     
    
      538.388 
      10.08 
      10.08 
      0 
      4 
     
    
      991.673 
      8.62 
      8.62 
      0 
      4 
     
    
      768.549 
      9.59 
      9.59 
      0 
      4 
      PE(18:0/20:4); [M+H]+ C43H79N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      482.324 
      7.78 
      7.78 
      0 
      4 
      Spectral Match to 1-Pentadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      1291.92 
      9.18 
      9.18 
      0 
      4 
     
    
      1253.9 
      8.64 
      8.64 
      0 
      4 
     
    
      1281.93 
      9.2 
      9.2 
      0 
      4 
     
    
      468.309 
      8.05 
      8.05 
      0 
      4 
     
    
      692.522 
      10.46 
      10.46 
      0 
      4 
     
    
      -14.016 
      -14 
      0.7127 
      0 
      1191 
      1227 
      4 
     
    
      -14.016 
      -14 
      0.934 
      0 
      1227 
      1265 
      4 
     
    
      -28.031 
      -28 
      0.8107 
      0 
      1227 
      1319 
      4 
     
    
      -42.048 
      -42 
      0.7654 
      0 
      1227 
      1371 
      4 
     
    
      -196.182 
      -196 
      0.7408 
      0 
      1227 
      1723 
      4 
     
    
      -24.004 
      -24 
      0.7165 
      0 
      1869 
      1839 
      4 
     
    
      -13.979 
      -13 
      0.8765 
      0 
      1370 
      1319 
      4 
     
    
      -28.032 
      -28 
      0.8205 
      0 
      1371 
      1265 
      4 
     
    
      -14.015 
      -14 
      0.8738 
      0 
      1265 
      1319 
      4 
     
    
      -23.997 
      -23 
      0.9227 
      0 
      2109 
      2113 
      4 
     
    
      -276.246 
      -276 
      0.8262 
      0 
      2109 
      2049 
      4 
     
    
      -14.016 
      -14 
      0.965 
      0 
      2109 
      2108 
      4 
     
    
      -14.015 
      -14 
      0.9631 
      0 
      2109 
      2112 
      4 
     
    
      -16.033 
      -16 
      0.8277 
      0 
      1371 
      1313 
      4 
     
    
      -40.031 
      -40 
      0.9404 
      0 
      1313 
      1192 
      4 
     
    
      -14.015 
      -14 
      0.9518 
      0 
      1313 
      1260 
      4 
     
    
      -2.016 
      -2 
      0.9062 
      0 
      1313 
      1319 
      4 
     
    
      -14.017 
      -14 
      0.855 
      0 
      1371 
      1319 
      4 
     
    
      -16.031 
      -16 
      0.891 
      0 
      1260 
      1319 
      4 
     
    
      -483.333 
      -483 
      0.8651 
      0 
      2049 
      1260 
      4 
     
    
      -26.016 
      -26 
      0.9354 
      0 
      1192 
      1260 
      4 
     
    
      -14.015 
      -14 
      0.7054 
      0 
      1191 
      1138 
      4 
     
    
      -453.285 
      -453 
      0.7864 
      0 
      2049 
      1371 
      4 
     
    
      -300.243 
      -300 
      0.7631 
      0 
      2049 
      2113 
      4 
     
    
      -76.027 
      -76 
      0.7446 
      0 
      1723 
      1839 
      4 
     
    
      -28.031 
      -28 
      0.9654 
      0 
      2108 
      2112 
      4 
     
   
 
                                                                                                                                                                                                        nf_output/networking/components/component_42.graphml                                                0000644 0000000 0000000 00000004354 14572074606 022057  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      500.483 
      12.64 
      12.64 
      0 
      51 
     
    
      518.493 
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      0 
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      514.499 
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      -18.01 
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      -14.016 
      -14 
      0.8143 
      0 
      1234 
      1275 
      51 
     
   
 
                                                                                                                                                                                                                                                                                    nf_output/networking/components/component_23.graphml                                                0000644 0000000 0000000 00000003405 14572074606 022052  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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      32 
     
    
      -59.037 
      -59 
      0.8637 
      0 
      1206 
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      32 
     
   
 
                                                                                                                                                                                                                                                           nf_output/networking/components/component_27.graphml                                                0000644 0000000 0000000 00000005745 14572074606 022067  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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                           nf_output/networking/components/component_13.graphml                                                0000644 0000000 0000000 00000024661 14572074606 022060  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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      0.7262 
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      1300 
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      0.7532 
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      1487 
      1453 
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      -377.127 
      -377 
      0.7014 
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      1068 
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      -507.191 
      -507 
      0.7255 
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      1068 
      2026 
      13 
     
    
      -130.026 
      -130 
      0.7969 
      0 
      1736 
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      -14.015 
      -14 
      0.8994 
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      -15.995 
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                                                                               nf_output/networking/components/component_17.graphml                                                0000644 0000000 0000000 00000004346 14572074606 022062  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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      0 
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      502.223 
      7.34 
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      -14.016 
      -14 
      0.8861 
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      1386 
      1337 
      44 
     
    
      -30.01 
      -30 
      0.7941 
      0 
      1337 
      1242 
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                                                                                                                                                                                                                                                                                          nf_output/networking/components/component_38.graphml                                                0000644 0000000 0000000 00000003410 14572074606 022054  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      639.423 
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      8.08 
      8.08 
      0 
      47 
     
    
      -15.995 
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      0.8114 
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      1609 
      1640 
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                                                                                                                                                                                                                                                        nf_output/networking/components/component_34.graphml                                                0000644 0000000 0000000 00000003406 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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      6.53 
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      6.07 
      6.07 
      0 
      30 
     
    
      -14.016 
      -14 
      0.71 
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      1601 
      1631 
      30 
     
   
 
                                                                                                                                                                                                                                                          nf_output/networking/components/component_30.graphml                                                0000644 0000000 0000000 00000010076 14572074606 022052  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      762.595 
      10.92 
      10.92 
      0 
      19 
      PC(16:0/18:0); [M+H]+ C42H85N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      815.633 
      13.12 
      13.12 
      0 
      19 
     
    
      789.616 
      11.84 
      11.84 
      0 
      19 
     
    
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      -27.021 
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      0.8993 
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      1890 
      1836 
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      -26.018 
      -26 
      0.931 
      0 
      1836 
      1865 
      19 
     
   
 
                                                                                                                                                                                                                                                                                                                                                                                                                                                                  nf_output/networking/components/component_40.graphml                                                0000644 0000000 0000000 00000003402 14572074606 022046  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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      0 
      14 
     
    
      -15.995 
      -15 
      0.7269 
      0 
      783 
      851 
      14 
     
   
 
                                                                                                                                                                                                                                                              nf_output/networking/components/component_6.graphml                                                 0000644 0000000 0000000 00000031465 14572074606 022002  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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      644.494 
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      0 
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      0 
      12 
     
    
      424.364 
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      0 
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      319.284 
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      333.3 
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      380.338 
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      584.472 
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      394.353 
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      12 
     
    
      -132.078 
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      978 
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      0.8513 
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      -28.03 
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      0.8272 
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      1022 
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      -162.089 
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      -119.095 
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      -105.079 
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      -61.053 
      -61 
      0.7579 
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      809 
      1022 
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      -88.053 
      -88 
      0.8302 
      0 
      1022 
      696 
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      -44.026 
      -44 
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      0 
      1022 
      882 
      12 
     
    
      -58.041 
      -58 
      0.7441 
      0 
      1022 
      823 
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      -220.13 
      -220 
      0.746 
      0 
      978 
      1616 
      12 
     
    
      -250.141 
      -250 
      0.735 
      0 
      1616 
      882 
      12 
     
    
      -60.022 
      -60 
      0.7909 
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      1616 
      1506 
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      -47.038 
      -47 
      0.701 
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      978 
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      12 
     
    
      -58.042 
      -58 
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      -44.026 
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      -27.0 
      -27 
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      809 
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      -17.027 
      -17 
      0.934 
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      809 
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      -3.012 
      -3 
      0.8389 
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      809 
      823 
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      -44.026 
      -44 
      0.8541 
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      978 
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      -30.011 
      -30 
      0.7363 
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      978 
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      -160.108 
      -160 
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      978 
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      -14.016 
      -14 
      0.9864 
      0 
      571 
      618 
      12 
     
    
      -31.042 
      -31 
      0.9519 
      0 
      571 
      696 
      12 
     
    
      -75.069 
      -75 
      0.8428 
      0 
      571 
      882 
      12 
     
    
      -17.026 
      -17 
      0.9549 
      0 
      618 
      696 
      12 
     
    
      -47.038 
      -47 
      0.7356 
      0 
      618 
      823 
      12 
     
    
      -61.053 
      -61 
      0.8431 
      0 
      618 
      882 
      12 
     
    
      -14.015 
      -14 
      0.8981 
      0 
      882 
      823 
      12 
     
    
      -30.012 
      -30 
      0.7169 
      0 
      696 
      823 
      12 
     
    
      -190.119 
      -190 
      0.7469 
      0 
      1506 
      882 
      12 
     
    
      -44.027 
      -44 
      0.9314 
      0 
      882 
      696 
      12 
     
   
 
                                                                                                                                                                                                           nf_output/networking/components/component_2.graphml                                                 0000644 0000000 0000000 00000005741 14572074606 021774  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      1538.1 
      12.65 
      12.65 
      0 
      35 
     
    
      1641.31 
      11.86 
      11.86 
      0 
      35 
     
    
      1580.17 
      10.85 
      10.85 
      0 
      35 
     
    
      1579.16 
      10.89 
      10.89 
      0 
      35 
     
    
      -41.055 
      -41 
      0.7524 
      0 
      1840 
      2148 
      35 
     
    
      61.148 
      61 
      0.878 
      0 
      2149 
      1899 
      35 
     
    
      62.159 
      62 
      0.8657 
      0 
      1899 
      2148 
      35 
     
    
      -1.011 
      -1 
      0.9471 
      0 
      2149 
      2148 
      35 
     
   
 
                               nf_output/networking/components/component_21.graphml                                                0000644 0000000 0000000 00000004330 14572074606 022046  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      383.243 
      7.3 
      7.3 
      0 
      10 
     
    
      400.269 
      8.19 
      8.19 
      0 
      10 
     
    
      365.232 
      6.8 
      6.8 
      0 
      10 
     
    
      -18.011 
      -18 
      0.7408 
      0 
      840 
      763 
      10 
     
    
      -17.026 
      -17 
      0.7021 
      0 
      840 
      902 
      10 
     
   
 
                                                                                                                                                                                                                                                                                                        nf_output/networking/components/component_25.graphml                                                0000644 0000000 0000000 00000004327 14572074606 022060  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      294.243 
      8.19 
      8.19 
      0 
      6 
     
    
      247.242 
      11.39 
      11.39 
      0 
      6 
     
    
      245.226 
      9.88 
      9.88 
      0 
      6 
     
    
      -47.001 
      -47 
      0.7247 
      0 
      442 
      204 
      6 
     
    
      -2.016 
      -2 
      0.8948 
      0 
      196 
      204 
      6 
     
   
 
                                                                                                                                                                                                                                                                                                         nf_output/networking/components/component_29.graphml                                                0000644 0000000 0000000 00000003411 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      1949.55 
      12.61 
      12.61 
      0 
      52 
     
    
      1948.56 
      13.74 
      13.74 
      0 
      52 
     
    
      -0.993 
      0 
      0.7082 
      0 
      1630 
      1632 
      52 
     
   
 
                                                                                                                                                                                                                                                       nf_output/networking/components/component_41.graphml                                                0000644 0000000 0000000 00000003402 14572074606 022047  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      376.154 
      8.66 
      8.66 
      0 
      40 
     
    
      346.143 
      8.57 
      8.57 
      0 
      40 
     
    
      -30.011 
      -30 
      0.8185 
      0 
      801 
      671 
      40 
     
   
 
                                                                                                                                                                                                                                                              nf_output/networking/components/component_7.graphml                                                 0000644 0000000 0000000 00000013636 14572074606 022003  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      342.149 
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      8.05 
      0 
      8 
     
    
      472.175 
      8.62 
      8.62 
      0 
      8 
     
    
      358.144 
      7.59 
      7.59 
      0 
      8 
     
    
      388.154 
      9.57 
      9.57 
      0 
      8 
     
    
      420.18 
      11.35 
      11.35 
      0 
      8 
     
    
      440.171 
      6.14 
      6.14 
      0 
      8 
     
    
      436.175 
      8.04 
      8.04 
      0 
      8 
     
    
      390.134 
      6.41 
      6.41 
      0 
      8 
     
    
      360.16 
      7.52 
      7.52 
      0 
      8 
     
    
      422.16 
      7.13 
      7.13 
      0 
      8 
     
    
      374.138 
      6.9 
      6.9 
      0 
      8 
     
    
      -15.995 
      -15 
      0.767 
      0 
      729 
      656 
      8 
     
    
      -18.011 
      -18 
      0.7864 
      0 
      656 
      739 
      8 
     
    
      -84.021 
      -84 
      0.8697 
      0 
      1158 
      858 
      8 
     
    
      -15.994 
      -15 
      0.7132 
      0 
      799 
      729 
      8 
     
    
      -14.016 
      -14 
      0.7549 
      0 
      799 
      858 
      8 
     
    
      -15.995 
      -15 
      0.7167 
      0 
      1012 
      959 
      8 
     
    
      -18.011 
      -18 
      0.7404 
      0 
      1026 
      965 
      8 
     
    
      -14.015 
      -14 
      0.7283 
      0 
      1012 
      965 
      8 
     
    
      -15.996 
      -15 
      0.7736 
      0 
      799 
      865 
      8 
     
    
      -32.026 
      -32 
      0.7373 
      0 
      865 
      965 
      8 
     
   
 
                                                                                                  nf_output/networking/components/component_3.graphml                                                 0000644 0000000 0000000 00000072737 14572074606 022006  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      772.583 
      10.12 
      10.12 
      0 
      5 
      Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      734.569 
      10.45 
      10.45 
      0 
      5 
      Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      746.568 
      9.7 
      9.7 
      0 
      5 
      Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      703.575 
      8.58 
      8.58 
      0 
      5 
     
    
      746.607 
      10.98 
      10.98 
      0 
      5 
      Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      720.592 
      10.78 
      10.78 
      0 
      5 
     
    
      782.57 
      7.39 
      7.39 
      0 
      5 
      Spectral Match to 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      834.601 
      9.15 
      9.15 
      0 
      5 
      PC(18:0/22:6); [M+H]+ C48H85N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      732.553 
      10.18 
      10.18 
      0 
      5 
      Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      812.615 
      6.39 
      6.39 
      0 
      5 
      PC(18:0/20:3); [M+H]+ C46H87N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      838.631 
      10.66 
      10.66 
      0 
      5 
     
    
      786.6 
      9.33 
      9.33 
      0 
      5 
      Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC 
      InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      810.6 
      10.22 
      10.22 
      0 
      5 
      Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      862.631 
      10.53 
      10.53 
      0 
      5 
     
    
      820.583 
      10.32 
      10.32 
      0 
      5 
     
    
      800.615 
      10.34 
      10.34 
      0 
      5 
      PC(18:2/19:0); [M+H]+ C45H87N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      796.586 
      11.19 
      11.19 
      0 
      5 
      PC(17:0/20:4); [M+H]+ C45H83N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      824.623 
      11.23 
      11.23 
      0 
      5 
     
    
      758.57 
      9.27 
      9.27 
      0 
      5 
      Spectral Match to 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      -40.03 
      -40 
      0.9914 
      0 
      1795 
      1844 
      5 
     
    
      -90.048 
      -90 
      0.993 
      0 
      1844 
      1948 
      5 
     
    
      -38.017 
      -38 
      0.9907 
      0 
      1844 
      1887 
      5 
     
    
      -9.987 
      -9 
      0.9899 
      0 
      1844 
      1861 
      5 
     
    
      -69.008 
      -69 
      0.996 
      0 
      1844 
      1753 
      5 
     
    
      -38.014 
      -38 
      0.9892 
      0 
      1844 
      1797 
      5 
     
    
      -14.013 
      -14 
      0.9902 
      0 
      1844 
      1831 
      5 
     
    
      -48.0 
      -48 
      0.9918 
      0 
      1844 
      1897 
      5 
     
    
      -25.976 
      -25 
      0.9964 
      0 
      1844 
      1814 
      5 
     
    
      -28.032 
      -28 
      0.9976 
      0 
      1844 
      1878 
      5 
     
    
      -12.038 
      -12 
      0.9872 
      0 
      1814 
      1797 
      5 
     
    
      -66.046 
      -66 
      0.9863 
      0 
      1797 
      1878 
      5 
     
    
      -116.063 
      -116 
      0.9892 
      0 
      1813 
      1948 
      5 
     
    
      -64.032 
      -64 
      0.9874 
      0 
      1813 
      1887 
      5 
     
    
      -40.032 
      -40 
      0.9862 
      0 
      1813 
      1863 
      5 
     
    
      -36.002 
      -36 
      0.986 
      0 
      1813 
      1861 
      5 
     
    
      -88.033 
      -88 
      0.9858 
      0 
      1813 
      1912 
      5 
     
    
      -14.015 
      -14 
      0.9893 
      0 
      1813 
      1795 
      5 
     
    
      -0.039 
      0 
      0.9863 
      0 
      1813 
      1814 
      5 
     
    
      -12.002 
      -12 
      0.9872 
      0 
      1813 
      1831 
      5 
     
    
      -54.047 
      -54 
      0.9876 
      0 
      1813 
      1878 
      5 
     
    
      -43.032 
      -43 
      0.9913 
      0 
      1814 
      1753 
      5 
     
    
      -159.056 
      -159 
      0.9926 
      0 
      1753 
      1948 
      5 
     
    
      -17.017 
      -17 
      0.9885 
      0 
      1753 
      1782 
      5 
     
    
      -78.995 
      -78 
      0.9885 
      0 
      1753 
      1861 
      5 
     
    
      -131.026 
      -131 
      0.9877 
      0 
      1753 
      1912 
      5 
     
    
      -54.995 
      -54 
      0.9885 
      0 
      1753 
      1831 
      5 
     
    
      -97.04 
      -97 
      0.9925 
      0 
      1753 
      1878 
      5 
     
    
      -117.008 
      -117 
      0.9885 
      0 
      1753 
      1897 
      5 
     
    
      -14.054 
      -14 
      0.9881 
      0 
      1795 
      1814 
      5 
     
    
      -116.024 
      -116 
      0.9892 
      0 
      1814 
      1948 
      5 
     
    
      -63.993 
      -63 
      0.9882 
      0 
      1814 
      1887 
      5 
     
    
      -73.976 
      -73 
      0.9881 
      0 
      1814 
      1897 
      5 
     
    
      -54.008 
      -54 
      0.9954 
      0 
      1814 
      1878 
      5 
     
    
      -104.031 
      -104 
      0.9751 
      0 
      1904 
      1782 
      5 
     
    
      -50.017 
      -50 
      0.9941 
      0 
      1795 
      1861 
      5 
     
    
      -28.03 
      -28 
      0.9924 
      0 
      1887 
      1861 
      5 
     
    
      -52.031 
      -52 
      0.9972 
      0 
      1912 
      1861 
      5 
     
    
      -4.03 
      -4 
      0.9888 
      0 
      1863 
      1861 
      5 
     
    
      -80.061 
      -80 
      0.9863 
      0 
      1861 
      1948 
      5 
     
    
      -24.0 
      -24 
      0.998 
      0 
      1861 
      1831 
      5 
     
    
      -102.048 
      -102 
      0.9914 
      0 
      1795 
      1912 
      5 
     
    
      -24.001 
      -24 
      0.9928 
      0 
      1887 
      1912 
      5 
     
    
      -28.03 
      -28 
      0.986 
      0 
      1912 
      1948 
      5 
     
    
      -48.001 
      -48 
      0.9889 
      0 
      1912 
      1863 
      5 
     
    
      -76.031 
      -76 
      0.9943 
      0 
      1912 
      1831 
      5 
     
    
      -130.078 
      -130 
      0.9881 
      0 
      1795 
      1948 
      5 
     
    
      -78.047 
      -78 
      0.9922 
      0 
      1795 
      1887 
      5 
     
    
      -54.047 
      -54 
      0.9925 
      0 
      1795 
      1863 
      5 
     
    
      -26.017 
      -26 
      0.9952 
      0 
      1795 
      1831 
      5 
     
    
      -68.062 
      -68 
      0.9889 
      0 
      1795 
      1878 
      5 
     
    
      -26.016 
      -26 
      0.9837 
      0 
      1915 
      1888 
      5 
     
    
      -2.015 
      -2 
      0.9918 
      0 
      1887 
      1888 
      5 
     
    
      -26.015 
      -26 
      0.996 
      0 
      1888 
      1863 
      5 
     
    
      -38.016 
      -38 
      0.9865 
      0 
      1915 
      1878 
      5 
     
    
      -24.0 
      -24 
      0.9954 
      0 
      1887 
      1863 
      5 
     
    
      -28.03 
      -28 
      0.9903 
      0 
      1863 
      1831 
      5 
     
    
      -14.015 
      -14 
      0.9863 
      0 
      1863 
      1878 
      5 
     
    
      -52.03 
      -52 
      0.9898 
      0 
      1887 
      1831 
      5 
     
    
      -9.985 
      -9 
      0.9912 
      0 
      1887 
      1878 
      5 
     
    
      -62.016 
      -62 
      0.9913 
      0 
      1878 
      1948 
      5 
     
    
      -104.061 
      -104 
      0.9858 
      0 
      1948 
      1831 
      5 
     
    
      -19.968 
      -19 
      0.991 
      0 
      1897 
      1878 
      5 
     
    
      -28.037 
      -28 
      0.9827 
      0 
      1875 
      1904 
      5 
     
   
 
                                 nf_output/networking/components/component_28.graphml                                                0000644 0000000 0000000 00000006364 14572074606 022066  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      1055.3 
      12.93 
      12.93 
      0 
      3 
     
    
      1056.3 
      11.62 
      11.62 
      0 
      3 
     
    
      1054.3 
      12.34 
      12.34 
      0 
      3 
     
    
      2494.71 
      13.33 
      13.33 
      0 
      3 
     
    
      -1.001 
      -1 
      0.8649 
      0 
      2072 
      2073 
      3 
     
    
      -0.996 
      0 
      0.8067 
      0 
      2074 
      2073 
      3 
     
    
      1439.41 
      1439 
      0.7882 
      0 
      2073 
      1909 
      3 
     
    
      -1.997 
      -1 
      0.7616 
      0 
      2072 
      2074 
      3 
     
    
      1440.411 
      1440 
      0.8775 
      0 
      2072 
      1909 
      3 
     
   
 
                                                                                                                                                                                                                                                                            nf_output/networking/components/component_20.graphml                                                0000644 0000000 0000000 00000004347 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      609.273 
      8.84 
      8.84 
      0 
      15 
     
    
      595.257 
      8.59 
      8.59 
      0 
      15 
     
    
      623.288 
      9.33 
      9.33 
      0 
      15 
     
    
      -14.016 
      -14 
      0.7185 
      0 
      1525 
      1559 
      15 
     
    
      -14.015 
      -14 
      0.7017 
      0 
      1559 
      1586 
      15 
     
   
 
                                                                                                                                                                                                                                                                                         nf_output/networking/components/component_24.graphml                                                0000644 0000000 0000000 00000044321 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      268.264 
      10.92 
      10.92 
      0 
      17 
     
    
      381.299 
      11.1 
      11.1 
      0 
      17 
     
    
      265.252 
      10.89 
      10.89 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      293.284 
      12.41 
      12.41 
      0 
      17 
     
    
      255.232 
      8.66 
      8.66 
      0 
      17 
      Spectral Match to cis-9-Hexadecenoic acid from NIST14 
      CCCCCC/C=C\\CCCCCCCC(=O)O 
      InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty acids and conjugates 
      Fatty Acids and Conjugates 
      Unsaturated fatty acids 
      Fatty acids 
     
    
      282.279 
      11.68 
      11.68 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      CCCCCCCC/C=C\\CCCCCCCC(=O)N 
      InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      563.551 
      11.4 
      11.4 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      338.342 
      13.64 
      13.64 
      0 
      17 
      Spectral Match to 13-Docosenamide, (Z)- from NIST14 
      CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N 
      InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      399.31 
      10.51 
      10.51 
      0 
      17 
     
    
      254.248 
      10.35 
      10.35 
      0 
      17 
     
    
      310.31 
      12.47 
      12.47 
      0 
      17 
     
    
      308.294 
      10.58 
      10.58 
      0 
      17 
     
    
      269.247 
      9.47 
      9.47 
      0 
      17 
     
    
      339.289 
      10.92 
      10.92 
      0 
      17 
      Spectral Match to Monoelaidin from NIST14 
      CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O 
      InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+ 
      Lipids and lipid-like molecules 
      Glycerolipids 
      Monoradylglycerols 
      Glycerolipids 
      Monoacylglycerols 
      Fatty acids 
     
    
      -3.012 
      -3 
      0.7047 
      0 
      284 
      299 
      17 
     
    
      -14.015 
      -14 
      0.8367 
      0 
      376 
      299 
      17 
     
    
      -14.016 
      -14 
      0.8397 
      0 
      238 
      299 
      17 
     
    
      -25.02 
      -25 
      0.7788 
      0 
      437 
      299 
      17 
     
    
      -70.078 
      -70 
      0.8246 
      0 
      643 
      299 
      17 
     
    
      -42.046 
      -42 
      0.7338 
      0 
      527 
      299 
      17 
     
    
      -131.046 
      -131 
      0.7472 
      0 
      898 
      299 
      17 
     
    
      -40.03 
      -40 
      0.703 
      0 
      511 
      299 
      17 
     
    
      -116.047 
      -116 
      0.8204 
      0 
      284 
      833 
      17 
     
    
      -99.02 
      -99 
      0.7043 
      0 
      376 
      833 
      17 
     
    
      -42.01 
      -42 
      0.8562 
      0 
      647 
      833 
      17 
     
    
      -88.015 
      -88 
      0.8445 
      0 
      437 
      833 
      17 
     
    
      -73.005 
      -73 
      0.724 
      0 
      833 
      511 
      17 
     
    
      -18.011 
      -18 
      0.7696 
      0 
      833 
      898 
      17 
     
    
      -28.032 
      -28 
      0.8429 
      0 
      284 
      437 
      17 
     
    
      -74.037 
      -74 
      0.939 
      0 
      284 
      647 
      17 
     
    
      -11.004 
      -11 
      0.747 
      0 
      284 
      238 
      17 
     
    
      -134.058 
      -134 
      0.7233 
      0 
      284 
      898 
      17 
     
    
      -11.005 
      -11 
      0.8014 
      0 
      376 
      437 
      17 
     
    
      -39.036 
      -39 
      0.7414 
      0 
      238 
      437 
      17 
     
    
      -46.005 
      -46 
      0.8381 
      0 
      647 
      437 
      17 
     
    
      -15.01 
      -15 
      0.8049 
      0 
      437 
      511 
      17 
     
    
      -17.026 
      -17 
      0.7236 
      0 
      437 
      527 
      17 
     
    
      -106.026 
      -106 
      0.7387 
      0 
      437 
      898 
      17 
     
    
      -27.047 
      -27 
      0.7135 
      0 
      376 
      243 
      17 
     
    
      -0.984 
      0 
      0.8263 
      0 
      238 
      243 
      17 
     
    
      -55.078 
      -55 
      0.7823 
      0 
      527 
      243 
      17 
     
    
      -14.015 
      -14 
      0.7601 
      0 
      243 
      303 
      17 
     
    
      -28.031 
      -28 
      0.8716 
      0 
      376 
      238 
      17 
     
    
      -28.031 
      -28 
      0.869 
      0 
      376 
      527 
      17 
     
    
      -57.01 
      -57 
      0.7096 
      0 
      376 
      647 
      17 
     
    
      -117.031 
      -117 
      0.765 
      0 
      376 
      898 
      17 
     
    
      -164.241 
      -164 
      0.7338 
      0 
      1439 
      898 
      17 
     
    
      -145.062 
      -145 
      0.7285 
      0 
      238 
      898 
      17 
     
    
      -60.021 
      -60 
      0.7503 
      0 
      647 
      898 
      17 
     
    
      -89.0 
      -89 
      0.7021 
      0 
      527 
      898 
      17 
     
    
      -85.041 
      -85 
      0.7248 
      0 
      238 
      647 
      17 
     
    
      -56.062 
      -56 
      0.9552 
      0 
      238 
      527 
      17 
     
    
      -30.995 
      -30 
      0.7091 
      0 
      647 
      511 
      17 
     
   
 
                                                                                                                                                                                                                                                                                                               nf_output/networking/components/component_12.graphml                                                0000644 0000000 0000000 00000005264 14572074606 022055  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      392.149 
      6.4 
      6.4 
      0 
      25 
     
    
      424.176 
      6.99 
      6.99 
      0 
      25 
     
    
      438.191 
      8.28 
      8.28 
      0 
      25 
     
    
      393.153 
      6.33 
      6.33 
      0 
      25 
     
    
      -1.004 
      -1 
      0.7192 
      0 
      876 
      872 
      25 
     
    
      -32.027 
      -32 
      0.824 
      0 
      973 
      872 
      25 
     
    
      -14.015 
      -14 
      0.8228 
      0 
      1021 
      973 
      25 
     
   
 
                                                                                                                                                                                                                                                                                                                                            nf_output/networking/components/component_16.graphml                                                0000644 0000000 0000000 00000020756 14572074606 022064  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      316.212 
      2.25 
      2.25 
      0 
      1 
     
    
      430.244 
      3.26 
      3.26 
      0 
      1 
     
    
      460.255 
      3.03 
      3.03 
      0 
      1 
     
    
      302.196 
      1.9 
      1.9 
      0 
      1 
     
    
      540.426 
      8.46 
      8.46 
      0 
      1 
     
    
      713.416 
      7.84 
      7.84 
      0 
      1 
     
    
      713.421 
      8.95 
      8.95 
      0 
      1 
     
    
      568.457 
      9.19 
      9.19 
      0 
      1 
     
    
      416.228 
      2.59 
      2.59 
      0 
      1 
     
    
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                                                                                                                                                                                                                                                              nf_output/networking/components/component_39.graphml                                                0000644 0000000 0000000 00000003374 14572074606 022066  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
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                                                                                                                                                                                                                                                                    nf_output/networking/component_summary.tsv                                                          0000644 0000000 0000000 00000000537 14572074606 020323  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   component_id	number_of_nodes	number_of_edges
1	17	65
2	4	4
3	19	64
4	18	26
5	4	3
6	11	35
7	11	10
8	2	1
9	2	1
10	2	1
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12	4	3
13	14	24
14	16	58
15	4	6
16	13	18
17	3	2
18	2	1
19	2	1
20	3	2
21	3	2
22	11	17
23	2	1
24	14	39
25	3	2
26	2	1
27	4	4
28	4	5
29	2	1
30	4	4
31	2	1
32	2	1
33	2	1
34	2	1
35	2	1
36	2	1
37	2	1
38	2	1
39	2	1
40	2	1
41	2	1
42	3	2
                                                                                                                                                                 nf_output/networking/params/                                                                        0000755 0000000 0000000 00000000000 14572074176 015266  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/networking/params/0.params                                                                0000644 0000000 0000000 00000000252 14572074176 016631  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   ALIGNS_FORMAT=tsv
MIN_MATCHED_PEAKS=6
TOLERANCE_PEAK=0.02
TOLERANCE_PM=0.02
PAIRS_MIN_COSINE=0.7
MAX_SHIFT=1999.0
INPUT_SPECTRA_MS2=specs_ms.mgf
IDX_START=0
IDX_END=2159
                                                                                                                                                                                                                                                                                                                                                      nf_output/networking/merged_pairs.tsv                                                               0000644 0000000 0000000 00000132125 14572074201 017173  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   CLUSTERID1	CLUSTERID2	DeltaMZ	MinRatio	Cosine	AlignScore2	AlignScore3
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571	1022	-119.095	0.000	0.7324	0.5311	1
598	720	-27.996	0.000	0.7237	0.5406	1
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618	1022	-105.079	0.000	0.7258	0.5987	1
647	833	-42.010	0.000	0.8562	0.7550	1
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650	651	-0.036	0.000	0.8706	0.8031	1
656	729	-15.995	0.000	0.7670	0.7375	1
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671	801	-30.011	0.000	0.8185	0.6719	1
689	849	-36.022	0.000	0.7322	0.6219	1
696	809	-27.000	0.000	0.8727	0.7475	1
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740	947	-56.001	0.000	0.7205	0.6030	1
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783	851	-15.995	0.000	0.7269	0.4874	1
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809	823	-3.012	0.000	0.8389	0.7288	1
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882	1616	-250.141	0.000	0.7350	0.6345	1
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1265	1313	-11.999	0.000	0.7400	0.5691	1
1265	1319	-14.015	0.000	0.8738	0.7604	1
1265	1370	-27.994	0.000	0.7948	0.6918	1
1265	1371	-28.032	0.000	0.8205	0.7010	1
1300	1702	-162.053	0.000	0.7262	0.6470	1
1313	1319	-2.016	0.000	0.9062	0.6721	1
1313	1370	-15.995	0.000	0.8265	0.6988	1
1313	1371	-16.033	0.000	0.8277	0.5388	1
1313	1412	-30.011	0.000	0.7506	0.5950	1
1313	1753	-181.220	0.000	0.8344	0.8092	1
1313	1782	-198.237	0.000	0.8020	0.7531	1
1313	1795	-210.198	0.000	0.8247	0.7708	1
1313	1797	-212.214	0.000	0.8174	0.8092	1
1313	1813	-224.213	0.000	0.8195	0.7423	1
1313	1814	-224.252	0.000	0.8242	0.7708	1
1313	1831	-236.215	0.000	0.8231	0.7909	1
1313	1835	-240.240	0.000	0.7610	0.6099	1
1313	1844	-250.228	0.000	0.8286	0.8092	1
1313	1861	-260.215	0.000	0.8246	0.8293	1
1313	1863	-264.245	0.000	0.8163	0.8203	1
1313	1875	-274.231	0.000	0.7979	0.6887	1
1313	1878	-278.260	0.000	0.8191	0.7909	1
1313	1885	-286.230	0.000	0.8194	0.7139	1
1313	1887	-288.245	0.000	0.8214	0.7909	1
1313	1888	-290.260	0.000	0.8101	0.7503	1
1313	1897	-298.228	0.000	0.8145	0.7226	1
1313	1904	-302.268	0.000	0.8078	0.7226	1
1313	1912	-312.246	0.000	0.8256	0.7909	1
1313	1915	-316.276	0.000	0.8006	0.7438	1
1313	1948	-340.276	0.000	0.8264	0.7708	1
1319	1322	-1.979	0.000	0.7363	0.6067	1
1319	1370	-13.979	0.000	0.8765	0.7227	1
1319	1371	-14.017	0.000	0.8550	0.6191	1
1319	1412	-27.995	0.000	0.7206	0.4897	1
1319	1753	-179.204	0.000	0.8024	0.6782	1
1319	1760	-182.169	0.000	0.7245	0.4838	1
1319	1782	-196.221	0.000	0.7920	0.6794	1
1319	1795	-208.182	0.000	0.7910	0.6296	1
1319	1797	-210.198	0.000	0.7863	0.7020	1
1319	1813	-222.197	0.000	0.7879	0.6296	1
1319	1814	-222.236	0.000	0.7981	0.6794	1
1319	1821	-224.209	0.000	0.7407	0.5364	1
1319	1831	-234.199	0.000	0.7868	0.6223	1
1319	1835	-238.224	0.000	0.7752	0.6980	1
1319	1844	-248.212	0.000	0.7953	0.6794	1
1319	1861	-258.199	0.000	0.7890	0.6721	1
1319	1863	-262.229	0.000	0.7942	0.7189	1
1319	1865	-265.245	0.000	0.7575	0.6719	1
1319	1871	-270.231	0.000	0.7191	0.4897	1
1319	1874	-272.149	0.000	0.7007	0.4897	1
1319	1875	-272.215	0.000	0.7791	0.6963	1
1319	1878	-276.244	0.000	0.7969	0.6963	1
1319	1885	-284.214	0.000	0.7878	0.6711	1
1319	1887	-286.229	0.000	0.7949	0.6690	1
1319	1888	-288.244	0.000	0.7913	0.7020	1
1319	1897	-296.212	0.000	0.7917	0.6794	1
1319	1904	-300.252	0.000	0.7857	0.6920	1
1319	1912	-310.230	0.000	0.7915	0.6721	1
1319	1915	-314.260	0.000	0.7965	0.7994	1
1319	1926	-324.248	0.000	0.7366	0.4897	1
1319	1948	-338.260	0.000	0.8068	0.6794	1
1319	2112	-757.563	0.000	0.7713	0.5570	1
1319	2130	-967.760	0.000	0.7223	0.5570	1
1337	1386	-14.016	0.000	0.8861	0.7153	1
1339	1387	-14.016	0.000	0.8399	0.5958	1
1361	1407	-15.995	0.000	0.7702	0.6129	1
1361	1702	-146.022	0.000	0.7777	0.5652	1
1361	1736	-160.037	0.000	0.7043	0.4605	1
1361	2026	-422.185	0.000	0.7524	0.5329	1
1370	1371	-0.038	0.000	0.8437	0.6554	1
1370	1753	-165.225	0.000	0.8829	0.6988	1
1370	1782	-182.242	0.000	0.8805	0.6988	1
1370	1797	-196.219	0.000	0.8604	0.6988	1
1370	1844	-234.233	0.000	0.8723	0.6988	1
1370	1861	-244.220	0.000	0.8694	0.6988	1
1370	1863	-248.250	0.000	0.8616	0.6988	1
1370	1875	-258.236	0.000	0.8523	0.6683	1
1370	1878	-262.265	0.000	0.8700	0.6988	1
1370	1885	-270.235	0.000	0.8556	0.6728	1
1370	1912	-296.251	0.000	0.8661	0.6853	1
1370	1948	-324.281	0.000	0.8785	0.6988	1
1371	1753	-165.187	0.000	0.7221	0.5388	1
1371	1782	-182.204	0.000	0.7076	0.5388	1
1371	1795	-194.165	0.000	0.7141	0.5142	1
1371	1797	-196.181	0.000	0.7081	0.5388	1
1371	1813	-208.180	0.000	0.7095	0.5142	1
1371	1814	-208.219	0.000	0.7136	0.5142	1
1371	1831	-220.182	0.000	0.7123	0.5142	1
1371	1844	-234.195	0.000	0.7174	0.5388	1
1371	1861	-244.182	0.000	0.7124	0.5388	1
1371	1863	-248.212	0.000	0.7063	0.5388	1
1371	1878	-262.227	0.000	0.7151	0.5388	1
1371	1885	-270.197	0.000	0.7100	0.5388	1
1371	1887	-272.212	0.000	0.7097	0.5142	1
1371	1888	-274.227	0.000	0.7017	0.5142	1
1371	1897	-282.195	0.000	0.7127	0.5431	1
1371	1912	-296.213	0.000	0.7123	0.5142	1
1371	1948	-324.243	0.000	0.7247	0.5388	1
1371	2049	-453.285	0.000	0.7864	0.5159	1
1374	1430	-18.010	0.000	0.9374	0.7626	1
1374	1477	-36.020	0.000	0.8907	0.6675	1
1374	1742	-158.094	0.000	0.7629	0.5418	1
1374	1776	-176.104	0.000	0.8097	0.5735	1
1374	1781	-180.101	0.000	0.8330	0.5817	1
1374	1790	-190.120	0.000	0.7452	0.5524	1
1374	1796	-194.114	0.000	0.7661	0.5452	1
1374	1806	-202.102	0.000	0.7088	0.5028	1
1374	1819	-208.094	0.000	0.9042	0.6908	1
1374	1820	-208.131	0.000	0.7888	0.5980	1
1376	1454	-28.031	0.000	0.8826	0.7489	1
1381	1430	-14.015	0.000	0.9202	0.7422	1
1394	1407	-3.994	0.000	0.7790	0.6414	1
1407	1417	-2.016	0.000	0.7121	0.5721	1
1407	1448	-14.016	0.000	0.8216	0.7396	1
1407	1453	-15.995	0.000	0.8308	0.7457	1
1407	1484	-28.031	0.000	0.7890	0.6549	1
1407	1487	-30.011	0.000	0.7819	0.7188	1
1407	1702	-130.027	0.000	0.7169	0.5292	1
1407	1736	-144.042	0.000	0.7852	0.6142	1
1407	2026	-406.190	0.000	0.7018	0.4922	1
1412	1753	-151.209	0.000	0.9412	0.6889	1
1412	1782	-168.226	0.000	0.9327	0.6889	1
1412	1797	-182.203	0.000	0.9354	0.6889	1
1412	1814	-194.241	0.000	0.9423	0.7236	1
1412	1821	-196.214	0.000	0.9033	0.6792	1
1412	1844	-220.217	0.000	0.9417	0.6889	1
1412	1861	-230.204	0.000	0.9364	0.6889	1
1412	1863	-234.234	0.000	0.9274	0.6889	1
1412	1871	-242.236	0.000	0.8839	0.6889	1
1412	1874	-244.154	0.000	0.8752	0.6259	1
1412	1875	-244.220	0.000	0.9180	0.6757	1
1412	1878	-248.249	0.000	0.9361	0.6889	1
1412	1885	-256.219	0.000	0.9240	0.6764	1
1412	1897	-268.217	0.000	0.9277	0.6889	1
1412	1904	-272.257	0.000	0.9271	0.6889	1
1412	1912	-282.235	0.000	0.9348	0.6889	1
1412	1915	-286.265	0.000	0.9233	0.6889	1
1412	1926	-296.253	0.000	0.9060	0.6845	1
1412	1948	-310.265	0.000	0.9422	0.6889	1
1417	1453	-13.979	0.000	0.7114	0.6152	1
1424	1506	-28.030	0.000	0.8790	0.7601	1
1424	1616	-88.052	0.000	0.8513	0.6345	1
1430	1477	-18.010	0.000	0.9092	0.7116	1
1430	1742	-140.084	0.000	0.7686	0.5418	1
1430	1776	-158.094	0.000	0.8133	0.6028	1
1430	1790	-172.110	0.000	0.7544	0.5524	1
1430	1796	-176.104	0.000	0.7712	0.5562	1
1430	1806	-184.092	0.000	0.7056	0.4803	1
1430	1819	-190.084	0.000	0.8997	0.6760	1
1430	1820	-190.121	0.000	0.7869	0.5850	1
1430	1833	-202.101	0.000	0.7039	0.4865	1
1448	1484	-14.015	0.000	0.8994	0.8281	1
1448	1487	-15.995	0.000	0.8097	0.6555	1
1448	1736	-130.026	0.000	0.7969	0.6602	1
1453	1487	-14.016	0.000	0.7532	0.5657	1
1477	1776	-140.084	0.000	0.7758	0.5564	1
1477	1796	-158.094	0.000	0.7551	0.5591	1
1477	1819	-172.074	0.000	0.8870	0.7067	1
1477	1820	-172.111	0.000	0.7781	0.6013	1
1506	1616	-60.022	0.000	0.7909	0.6345	1
1525	1559	-14.016	0.000	0.7185	0.5521	1
1559	1586	-14.015	0.000	0.7017	0.5248	1
1601	1631	-14.016	0.000	0.7100	0.6408	1
1609	1640	-15.995	0.000	0.8114	0.6573	1
1630	1632	-0.993	0.000	0.7082	0.4875	1
1634	1668	-14.018	0.000	0.8409	0.7216	1
1679	1716	-14.016	0.000	0.8132	0.6862	1
1702	1736	-14.015	0.000	0.7251	0.5098	1
1714	1751	-18.011	0.000	0.8097	0.5851	1
1723	1839	-76.027	0.000	0.7446	0.5885	1
1723	1861	-90.048	0.000	0.7133	0.4451	1
1723	1871	-102.080	0.000	0.7462	0.4793	1
1723	1875	-104.064	0.000	0.7281	0.4783	1
1723	1897	-128.061	0.000	0.7398	0.4783	1
1723	1915	-146.109	0.000	0.7198	0.4534	1
1742	1776	-18.010	0.000	0.9271	0.6976	1
1742	1781	-22.007	0.000	0.8115	0.6399	1
1742	1790	-32.026	0.000	0.9049	0.7198	1
1742	1796	-36.020	0.000	0.8802	0.6780	1
1742	1806	-44.008	0.000	0.8953	0.6577	1
1742	1819	-50.000	0.000	0.8333	0.6425	1
1742	1820	-50.037	0.000	0.9114	0.6636	1
1742	1833	-62.017	0.000	0.8085	0.5767	1
1744	1981	307.235	0.000	0.7657	0.5164	1
1751	1776	-14.015	0.000	0.7885	0.5467	1
1751	1781	-18.012	0.000	0.7051	0.5467	1
1751	1796	-32.025	0.000	0.7765	0.6679	1
1751	1806	-40.013	0.000	0.7600	0.5467	1
1751	1811	-44.008	0.000	0.8422	0.6904	1
1751	1819	-46.005	0.000	0.7633	0.5467	1
1751	1820	-46.042	0.000	0.7978	0.5467	1
1753	1782	-17.017	0.000	0.9885	0.8689	1
1753	1795	-28.978	0.000	0.9872	0.8534	1
1753	1797	-30.994	0.000	0.9834	0.9005	1
1753	1813	-42.993	0.000	0.9813	0.7644	1
1753	1814	-43.032	0.000	0.9913	0.8849	1
1753	1821	-45.005	0.000	0.9481	0.7253	1
1753	1831	-54.995	0.000	0.9885	0.8997	1
1753	1835	-59.020	0.000	0.9138	0.6566	1
1753	1836	-60.023	0.000	0.8277	0.5371	1
1753	1844	-69.008	0.000	0.9960	0.9275	1
1753	1861	-78.995	0.000	0.9885	0.8926	1
1753	1863	-83.025	0.000	0.9794	0.8583	1
1753	1865	-86.041	0.000	0.9011	0.6761	1
1753	1871	-91.027	0.000	0.9336	0.7532	1
1753	1874	-92.945	0.000	0.9294	0.7482	1
1753	1875	-93.011	0.000	0.9710	0.7650	1
1753	1878	-97.040	0.000	0.9925	0.9195	1
1753	1885	-105.010	0.000	0.9729	0.7399	1
1753	1887	-107.025	0.000	0.9845	0.8734	1
1753	1888	-109.040	0.000	0.9737	0.7833	1
1753	1890	-112.058	0.000	0.8685	0.6140	1
1753	1897	-117.008	0.000	0.9885	0.8368	1
1753	1904	-121.048	0.000	0.9847	0.8564	1
1753	1912	-131.026	0.000	0.9877	0.8868	1
1753	1915	-135.056	0.000	0.9749	0.8429	1
1753	1924	-139.093	0.000	0.8578	0.5152	1
1753	1926	-145.044	0.000	0.9463	0.6845	1
1753	1948	-159.056	0.000	0.9926	0.8891	1
1753	2049	-288.098	0.000	0.7516	0.5924	1
1760	1782	-14.052	0.000	0.9331	0.6813	1
1760	1813	-40.028	0.000	0.9231	0.6813	1
1760	1814	-40.067	0.000	0.9167	0.6813	1
1760	1821	-42.040	0.000	0.9120	0.6813	1
1760	1844	-66.043	0.000	0.9190	0.6813	1
1760	1863	-80.060	0.000	0.9118	0.6813	1
1760	1865	-83.076	0.000	0.8749	0.6813	1
1760	1875	-90.046	0.000	0.9060	0.6660	1
1760	1878	-94.075	0.000	0.9216	0.6813	1
1760	1897	-114.043	0.000	0.9138	0.6813	1
1760	1904	-118.083	0.000	0.9103	0.6813	1
1760	1915	-132.091	0.000	0.9194	0.6813	1
1760	1948	-156.091	0.000	0.9288	0.6813	1
1776	1781	-3.997	0.000	0.8022	0.6225	1
1776	1790	-14.016	0.000	0.9120	0.6736	1
1776	1796	-18.010	0.000	0.9434	0.8183	1
1776	1806	-25.998	0.000	0.9426	0.7561	1
1776	1811	-29.993	0.000	0.7867	0.5818	1
1776	1819	-31.990	0.000	0.8806	0.7263	1
1776	1820	-32.027	0.000	0.9513	0.7358	1
1776	1833	-44.007	0.000	0.8709	0.7551	1
1781	1790	-10.019	0.000	0.8073	0.6672	1
1781	1796	-14.013	0.000	0.7788	0.6270	1
1781	1806	-22.001	0.000	0.7448	0.6225	1
1781	1819	-27.993	0.000	0.8572	0.6225	1
1781	1820	-28.030	0.000	0.8437	0.7023	1
1781	1833	-40.010	0.000	0.7171	0.5767	1
1782	1795	-11.961	0.000	0.9757	0.7882	1
1782	1797	-13.977	0.000	0.9759	0.8107	1
1782	1813	-25.976	0.000	0.9780	0.7958	1
1782	1814	-26.015	0.000	0.9838	0.8731	1
1782	1821	-27.988	0.000	0.9537	0.7880	1
1782	1831	-37.978	0.000	0.9735	0.8155	1
1782	1835	-42.003	0.000	0.9102	0.7350	1
1782	1836	-43.006	0.000	0.8361	0.6557	1
1782	1844	-51.991	0.000	0.9867	0.8731	1
1782	1861	-61.978	0.000	0.9736	0.8155	1
1782	1863	-66.008	0.000	0.9678	0.8283	1
1782	1865	-69.024	0.000	0.8999	0.7799	1
1782	1871	-74.010	0.000	0.9391	0.7532	1
1782	1874	-75.928	0.000	0.9216	0.6968	1
1782	1875	-75.994	0.000	0.9656	0.7628	1
1782	1878	-80.023	0.000	0.9849	0.8731	1
1782	1885	-87.993	0.000	0.9582	0.7139	1
1782	1887	-90.008	0.000	0.9731	0.8107	1
1782	1888	-92.023	0.000	0.9631	0.7659	1
1782	1890	-95.041	0.000	0.8746	0.7094	1
1782	1897	-99.991	0.000	0.9800	0.8102	1
1782	1904	-104.031	0.000	0.9751	0.8180	1
1782	1912	-114.009	0.000	0.9723	0.8155	1
1782	1915	-118.039	0.000	0.9701	0.8731	1
1782	1924	-122.076	0.000	0.8621	0.5152	1
1782	1926	-128.027	0.000	0.9438	0.6845	1
1782	1948	-142.039	0.000	0.9818	0.8283	1
1782	2112	-561.342	0.000	0.8709	0.6201	1
1782	2130	-771.539	0.000	0.8992	0.6201	1
1782	2141	-823.569	0.000	0.8863	0.6063	1
1783	1875	-74.997	0.000	0.7606	0.5549	1
1783	1897	-98.994	0.000	0.7578	0.5549	1
1790	1796	-3.994	0.000	0.8578	0.6505	1
1790	1806	-11.982	0.000	0.8880	0.6269	1
1790	1819	-17.974	0.000	0.8097	0.6425	1
1790	1820	-18.011	0.000	0.9013	0.6687	1
1790	1833	-29.991	0.000	0.7937	0.5767	1
1795	1797	-2.016	0.000	0.9842	0.8497	1
1795	1813	-14.015	0.000	0.9893	0.8012	1
1795	1814	-14.054	0.000	0.9881	0.8499	1
1795	1821	-16.027	0.000	0.9399	0.6903	1
1795	1831	-26.017	0.000	0.9952	0.8916	1
1795	1835	-30.042	0.000	0.9308	0.7432	1
1795	1836	-31.045	0.000	0.8417	0.6055	1
1795	1844	-40.030	0.000	0.9914	0.8880	1
1795	1861	-50.017	0.000	0.9941	0.8916	1
1795	1863	-54.047	0.000	0.9925	0.9145	1
1795	1865	-57.063	0.000	0.9193	0.7923	1
1795	1874	-63.967	0.000	0.9207	0.7240	1
1795	1875	-64.033	0.000	0.9675	0.7382	1
1795	1878	-68.062	0.000	0.9889	0.8829	1
1795	1885	-76.032	0.000	0.9730	0.7248	1
1795	1887	-78.047	0.000	0.9922	0.8880	1
1795	1888	-80.062	0.000	0.9875	0.8620	1
1795	1890	-83.080	0.000	0.8740	0.6337	1
1795	1897	-88.030	0.000	0.9824	0.7816	1
1795	1904	-92.070	0.000	0.9742	0.7718	1
1795	1912	-102.048	0.000	0.9914	0.8781	1
1795	1915	-106.078	0.000	0.9742	0.8417	1
1795	1948	-130.078	0.000	0.9881	0.8645	1
1795	2049	-259.120	0.000	0.7542	0.6730	1
1795	2107	-507.334	0.000	0.9570	0.7618	1
1795	2112	-549.381	0.000	0.8701	0.6345	1
1796	1806	-7.988	0.000	0.9346	0.7781	1
1796	1811	-11.983	0.000	0.8303	0.6928	1
1796	1819	-13.980	0.000	0.8488	0.7182	1
1796	1820	-14.017	0.000	0.9396	0.7911	1
1796	1833	-25.997	0.000	0.9414	0.7850	1
1797	1813	-11.999	0.000	0.9803	0.7704	1
1797	1814	-12.038	0.000	0.9872	0.8651	1
1797	1821	-14.011	0.000	0.9487	0.7606	1
1797	1831	-24.001	0.000	0.9808	0.8194	1
1797	1835	-28.026	0.000	0.9307	0.8102	1
1797	1836	-29.029	0.000	0.8589	0.7417	1
1797	1844	-38.014	0.000	0.9892	0.8924	1
1797	1861	-48.001	0.000	0.9797	0.8252	1
1797	1863	-52.031	0.000	0.9805	0.8637	1
1797	1865	-55.047	0.000	0.9143	0.8126	1
1797	1871	-60.033	0.000	0.9147	0.6708	1
1797	1874	-61.951	0.000	0.9161	0.6641	1
1797	1875	-62.017	0.000	0.9627	0.7305	1
1797	1878	-66.046	0.000	0.9863	0.8866	1
1797	1885	-74.016	0.000	0.9636	0.7139	1
1797	1887	-76.031	0.000	0.9842	0.8949	1
1797	1888	-78.046	0.000	0.9775	0.8430	1
1797	1890	-81.064	0.000	0.8965	0.7645	1
1797	1897	-86.014	0.000	0.9777	0.7820	1
1797	1904	-90.054	0.000	0.9710	0.7750	1
1797	1912	-100.032	0.000	0.9777	0.8194	1
1797	1915	-104.062	0.000	0.9750	0.8904	1
1797	1948	-128.062	0.000	0.9796	0.8382	1
1797	2112	-547.365	0.000	0.8653	0.6356	1
1797	2130	-757.562	0.000	0.8872	0.6264	1
1797	2145	-833.593	0.000	0.8921	0.5975	1
1806	1811	-3.995	0.000	0.8289	0.6510	1
1806	1819	-5.992	0.000	0.8183	0.6860	1
1806	1820	-6.029	0.000	0.9301	0.6911	1
1806	1833	-18.009	0.000	0.8595	0.6883	1
1811	1820	-2.034	0.000	0.8142	0.6173	1
1813	1814	-0.039	0.000	0.9863	0.8266	1
1813	1821	-2.012	0.000	0.9455	0.7419	1
1813	1831	-12.002	0.000	0.9872	0.7898	1
1813	1835	-16.027	0.000	0.9310	0.7564	1
1813	1836	-17.030	0.000	0.8424	0.6055	1
1813	1844	-26.015	0.000	0.9855	0.7925	1
1813	1861	-36.002	0.000	0.9860	0.7644	1
1813	1863	-40.032	0.000	0.9862	0.7925	1
1813	1865	-43.048	0.000	0.9218	0.7910	1
1813	1871	-48.034	0.000	0.9154	0.6973	1
1813	1874	-49.952	0.000	0.9110	0.6773	1
1813	1875	-50.018	0.000	0.9669	0.7693	1
1813	1878	-54.047	0.000	0.9876	0.8179	1
1813	1885	-62.017	0.000	0.9667	0.7248	1
1813	1887	-64.032	0.000	0.9874	0.7925	1
1813	1888	-66.047	0.000	0.9824	0.7925	1
1813	1890	-69.065	0.000	0.8819	0.6877	1
1813	1897	-74.015	0.000	0.9807	0.8098	1
1813	1904	-78.055	0.000	0.9735	0.8112	1
1813	1912	-88.033	0.000	0.9858	0.7898	1
1813	1915	-92.063	0.000	0.9754	0.8179	1
1813	1926	-102.051	0.000	0.9353	0.6845	1
1813	1948	-116.063	0.000	0.9892	0.8179	1
1813	2049	-245.105	0.000	0.7466	0.5924	1
1813	2130	-745.563	0.000	0.8969	0.5864	1
1814	1821	-1.973	0.000	0.9547	0.7880	1
1814	1831	-11.963	0.000	0.9849	0.8444	1
1814	1835	-15.988	0.000	0.9316	0.7624	1
1814	1836	-16.991	0.000	0.8549	0.6557	1
1814	1844	-25.976	0.000	0.9964	0.9142	1
1814	1861	-35.963	0.000	0.9837	0.8467	1
1814	1863	-39.993	0.000	0.9835	0.8737	1
1814	1865	-43.009	0.000	0.9172	0.8111	1
1814	1871	-47.995	0.000	0.9261	0.7532	1
1814	1874	-49.913	0.000	0.9305	0.7482	1
1814	1875	-49.979	0.000	0.9721	0.7947	1
1814	1878	-54.008	0.000	0.9954	0.9142	1
1814	1885	-61.978	0.000	0.9690	0.7399	1
1814	1887	-63.993	0.000	0.9882	0.8905	1
1814	1888	-66.008	0.000	0.9801	0.8458	1
1814	1890	-69.026	0.000	0.9046	0.7635	1
1814	1897	-73.976	0.000	0.9881	0.8530	1
1814	1904	-78.016	0.000	0.9827	0.8521	1
1814	1912	-87.994	0.000	0.9833	0.8444	1
1814	1915	-92.024	0.000	0.9829	0.9132	1
1814	1924	-96.061	0.000	0.8515	0.5152	1
1814	1926	-102.012	0.000	0.9345	0.6845	1
1814	1948	-116.024	0.000	0.9892	0.8737	1
1814	2049	-245.066	0.000	0.7507	0.5924	1
1814	2130	-745.524	0.000	0.8940	0.6282	1
1814	2156	-873.586	0.000	0.8942	0.5871	1
1815	1899	598.430	0.000	0.7479	0.4624	1
1819	1820	-0.037	0.000	0.8923	0.7662	1
1819	1833	-12.017	0.000	0.7707	0.6016	1
1820	1833	-11.980	0.000	0.8840	0.7545	1
1821	1831	-9.990	0.000	0.9320	0.6792	1
1821	1835	-14.015	0.000	0.9232	0.7606	1
1821	1836	-15.018	0.000	0.8749	0.7417	1
1821	1844	-24.003	0.000	0.9538	0.7880	1
1821	1861	-33.990	0.000	0.9323	0.6792	1
1821	1863	-38.020	0.000	0.9457	0.7662	1
1821	1865	-41.036	0.000	0.9172	0.7308	1
1821	1871	-46.022	0.000	0.9098	0.7253	1
1821	1874	-47.940	0.000	0.8971	0.6968	1
1821	1875	-48.006	0.000	0.9358	0.7296	1
1821	1878	-52.035	0.000	0.9577	0.7880	1
1821	1885	-60.005	0.000	0.9195	0.6764	1
1821	1887	-62.020	0.000	0.9468	0.7606	1
1821	1888	-64.035	0.000	0.9463	0.7146	1
1821	1890	-67.053	0.000	0.9023	0.7606	1
1821	1897	-72.003	0.000	0.9455	0.7694	1
1821	1899	-892.735	0.000	0.7985	0.4668	1
1821	1904	-76.043	0.000	0.9432	0.7824	1
1821	1912	-86.021	0.000	0.9309	0.6792	1
1821	1915	-90.051	0.000	0.9646	0.8122	1
1821	1924	-94.088	0.000	0.8364	0.5152	1
1821	1926	-100.039	0.000	0.9132	0.6792	1
1821	1948	-114.051	0.000	0.9506	0.7419	1
1821	2130	-743.551	0.000	0.8782	0.5857	1
1821	2141	-795.581	0.000	0.8763	0.5857	1
1821	2144	-809.601	0.000	0.8887	0.5857	1
1821	2145	-819.582	0.000	0.8729	0.6100	1
1821	2152	-843.583	0.000	0.8762	0.5857	1
1821	2153	-845.596	0.000	0.8816	0.5857	1
1821	2154	-847.611	0.000	0.8819	0.5857	1
1821	2156	-871.613	0.000	0.8857	0.6100	1
1830	1856	-23.999	0.000	0.8234	0.6530	1
1830	1858	-23.999	0.000	0.7764	0.5683	1
1830	1934	-100.028	0.000	0.8155	0.6728	1
1831	1835	-4.025	0.000	0.9173	0.6374	1
1831	1844	-14.013	0.000	0.9902	0.8997	1
1831	1861	-24.000	0.000	0.9980	0.9502	1
1831	1863	-28.030	0.000	0.9903	0.9129	1
1831	1865	-31.046	0.000	0.9042	0.6761	1
1831	1871	-36.032	0.000	0.9089	0.6973	1
1831	1874	-37.950	0.000	0.9158	0.6793	1
1831	1875	-38.016	0.000	0.9641	0.7518	1
1831	1878	-42.045	0.000	0.9860	0.8988	1
1831	1885	-50.015	0.000	0.9735	0.7248	1
1831	1887	-52.030	0.000	0.9898	0.8712	1
1831	1888	-54.045	0.000	0.9824	0.8023	1
1831	1890	-57.063	0.000	0.8572	0.5923	1
1831	1897	-62.013	0.000	0.9823	0.7936	1
1831	1904	-66.053	0.000	0.9739	0.7997	1
1831	1912	-76.031	0.000	0.9943	0.9319	1
1831	1915	-80.061	0.000	0.9654	0.8104	1
1831	1926	-90.049	0.000	0.9283	0.6845	1
1831	1948	-104.061	0.000	0.9858	0.8891	1
1831	2049	-233.103	0.000	0.7519	0.6405	1
1831	2107	-481.317	0.000	0.9570	0.7618	1
1831	2108	-495.333	0.000	0.8777	0.6270	1
1831	2132	-757.563	0.000	0.8943	0.5885	1
1831	2141	-785.591	0.000	0.8818	0.5829	1
1835	1836	-1.003	0.000	0.9332	0.7833	1
1835	1844	-9.988	0.000	0.9271	0.7624	1
1835	1861	-19.975	0.000	0.9182	0.6501	1
1835	1863	-24.005	0.000	0.9565	0.8185	1
1835	1865	-27.021	0.000	0.9863	0.8626	1
1835	1871	-32.007	0.000	0.8438	0.5956	1
1835	1874	-33.925	0.000	0.8525	0.6231	1
1835	1875	-33.991	0.000	0.9132	0.7624	1
1835	1878	-38.020	0.000	0.9361	0.7624	1
1835	1885	-45.990	0.000	0.8973	0.6374	1
1835	1887	-48.005	0.000	0.9492	0.8377	1
1835	1888	-50.020	0.000	0.9600	0.8185	1
1835	1890	-53.038	0.000	0.9148	0.7645	1
1835	1897	-57.988	0.000	0.9222	0.7624	1
1835	1904	-62.028	0.000	0.9109	0.7624	1
1835	1912	-72.006	0.000	0.9157	0.6374	1
1835	1915	-76.036	0.000	0.9638	0.8377	1
1835	1924	-80.073	0.000	0.7856	0.5181	1
1835	1948	-100.036	0.000	0.9243	0.7432	1
1835	2112	-519.339	0.000	0.8294	0.6107	1
1835	2130	-729.536	0.000	0.8517	0.6107	1
1836	1844	-8.985	0.000	0.8476	0.7068	1
1836	1863	-23.002	0.000	0.8738	0.6916	1
1836	1865	-26.018	0.000	0.9310	0.7084	1
1836	1871	-31.004	0.000	0.7848	0.5371	1
1836	1874	-32.922	0.000	0.7904	0.5371	1
1836	1875	-32.988	0.000	0.8355	0.6557	1
1836	1878	-37.017	0.000	0.8590	0.6557	1
1836	1887	-47.002	0.000	0.8665	0.7417	1
1836	1888	-49.017	0.000	0.8812	0.6916	1
1836	1890	-52.035	0.000	0.8993	0.7417	1
1836	1897	-56.985	0.000	0.8403	0.6557	1
1836	1904	-61.025	0.000	0.8325	0.6557	1
1836	1915	-75.033	0.000	0.9020	0.7417	1
1836	1948	-99.033	0.000	0.8385	0.6055	1
1836	2156	-856.595	0.000	0.8142	0.6092	1
1839	1869	-24.004	0.000	0.7165	0.5870	1
1840	2148	-41.055	0.000	0.7524	0.5131	1
1844	1861	-9.987	0.000	0.9899	0.8992	1
1844	1863	-14.017	0.000	0.9852	0.9127	1
1844	1865	-17.033	0.000	0.9120	0.8111	1
1844	1871	-22.019	0.000	0.9306	0.7532	1
1844	1874	-23.937	0.000	0.9358	0.7482	1
1844	1875	-24.003	0.000	0.9745	0.7935	1
1844	1878	-28.032	0.000	0.9976	0.9554	1
1844	1885	-36.002	0.000	0.9741	0.7399	1
1844	1887	-38.017	0.000	0.9907	0.9220	1
1844	1888	-40.032	0.000	0.9809	0.8458	1
1844	1890	-43.050	0.000	0.8891	0.7094	1
1844	1897	-48.000	0.000	0.9918	0.8530	1
1844	1904	-52.040	0.000	0.9869	0.8521	1
1844	1912	-62.018	0.000	0.9890	0.8868	1
1844	1915	-66.048	0.000	0.9824	0.9122	1
1844	1924	-70.085	0.000	0.8541	0.5152	1
1844	1926	-76.036	0.000	0.9402	0.6845	1
1844	1948	-90.048	0.000	0.9930	0.9209	1
1844	2049	-219.090	0.000	0.7492	0.5924	1
1844	2112	-509.351	0.000	0.8669	0.6597	1
1844	2130	-719.548	0.000	0.8915	0.6657	1
1856	1858	0.000	0.000	0.8216	0.5670	1
1856	1934	-76.029	0.000	0.8641	0.7588	1
1858	1934	-76.029	0.000	0.7294	0.5180	1
1861	1863	-4.030	0.000	0.9888	0.8923	1
1861	1865	-7.046	0.000	0.9036	0.6572	1
1861	1871	-12.032	0.000	0.9181	0.7101	1
1861	1874	-13.950	0.000	0.9198	0.6924	1
1861	1875	-14.016	0.000	0.9682	0.7795	1
1861	1878	-18.045	0.000	0.9857	0.8777	1
1861	1885	-26.015	0.000	0.9780	0.7804	1
1861	1887	-28.030	0.000	0.9924	0.9079	1
1861	1888	-30.045	0.000	0.9816	0.7996	1
1861	1897	-38.013	0.000	0.9825	0.7756	1
1861	1904	-42.053	0.000	0.9730	0.7623	1
1861	1912	-52.031	0.000	0.9972	0.9352	1
1861	1915	-56.061	0.000	0.9643	0.7741	1
1861	1926	-66.049	0.000	0.9298	0.6845	1
1861	1948	-80.061	0.000	0.9863	0.8891	1
1861	2049	-209.103	0.000	0.7501	0.6609	1
1861	2107	-457.317	0.000	0.9547	0.7618	1
1861	2108	-471.333	0.000	0.8739	0.6168	1
1861	2112	-499.364	0.000	0.8607	0.6251	1
1861	2145	-785.592	0.000	0.8823	0.5906	1
1861	2152	-809.593	0.000	0.8853	0.5862	1
1863	1865	-3.016	0.000	0.9493	0.8862	1
1863	1871	-8.002	0.000	0.8997	0.6973	1
1863	1874	-9.920	0.000	0.9056	0.6773	1
1863	1875	-9.986	0.000	0.9640	0.7814	1
1863	1878	-14.015	0.000	0.9863	0.9233	1
1863	1885	-21.985	0.000	0.9647	0.7399	1
1863	1887	-24.000	0.000	0.9954	0.9478	1
1863	1888	-26.015	0.000	0.9960	0.8947	1
1863	1890	-29.033	0.000	0.8912	0.6888	1
1863	1897	-33.983	0.000	0.9785	0.8098	1
1863	1904	-38.023	0.000	0.9681	0.8112	1
1863	1912	-48.001	0.000	0.9889	0.9120	1
1863	1915	-52.031	0.000	0.9831	0.9253	1
1863	1926	-62.019	0.000	0.9186	0.6845	1
1863	1948	-76.031	0.000	0.9829	0.9127	1
1863	2049	-205.073	0.000	0.7443	0.5924	1
1863	2107	-453.287	0.000	0.9478	0.7618	1
1863	2112	-495.334	0.000	0.8748	0.7013	1
1863	2130	-705.531	0.000	0.8881	0.6668	1
1863	2140	-755.544	0.000	0.8905	0.6307	1
1863	2141	-757.561	0.000	0.8946	0.6315	1
1863	2145	-781.562	0.000	0.8924	0.6221	1
1863	2146	-783.575	0.000	0.8939	0.6254	1
1863	2152	-805.563	0.000	0.8875	0.5950	1
1863	2153	-807.576	0.000	0.8943	0.6221	1
1863	2154	-809.591	0.000	0.8961	0.6221	1
1863	2156	-833.593	0.000	0.8936	0.6221	1
1865	1874	-6.904	0.000	0.8314	0.6297	1
1865	1875	-6.970	0.000	0.9031	0.7299	1
1865	1878	-10.999	0.000	0.9238	0.8111	1
1865	1885	-18.969	0.000	0.8819	0.6572	1
1865	1887	-20.984	0.000	0.9411	0.8865	1
1865	1888	-22.999	0.000	0.9539	0.8546	1
1865	1890	-26.017	0.000	0.9068	0.6841	1
1865	1897	-30.967	0.000	0.9132	0.7947	1
1865	1904	-35.007	0.000	0.8964	0.7682	1
1865	1912	-44.985	0.000	0.9035	0.6761	1
1865	1915	-49.015	0.000	0.9560	0.8755	1
1865	1948	-73.015	0.000	0.9164	0.8111	1
1865	2130	-702.515	0.000	0.8547	0.6544	1
1871	1874	-1.918	0.000	0.9213	0.7446	1
1871	1875	-1.984	0.000	0.9366	0.7590	1
1871	1878	-6.013	0.000	0.9290	0.7532	1
1871	1885	-13.983	0.000	0.9251	0.7169	1
1871	1887	-15.998	0.000	0.9200	0.7660	1
1871	1890	-21.031	0.000	0.8740	0.7145	1
1871	1897	-25.981	0.000	0.9351	0.7925	1
1871	1904	-30.021	0.000	0.9268	0.7532	1
1871	1912	-39.999	0.000	0.9258	0.7925	1
1871	1915	-44.029	0.000	0.9167	0.7532	1
1871	1924	-48.066	0.000	0.8703	0.5706	1
1871	1926	-54.017	0.000	0.9091	0.6845	1
1871	1948	-68.029	0.000	0.9269	0.6973	1
1874	1875	-0.066	0.000	0.9594	0.8360	1
1874	1878	-4.095	0.000	0.9346	0.7482	1
1874	1885	-12.065	0.000	0.9164	0.7251	1
1874	1887	-14.080	0.000	0.9236	0.7633	1
1874	1888	-16.095	0.000	0.9021	0.6736	1
1874	1890	-19.113	0.000	0.8589	0.6680	1
1874	1897	-24.063	0.000	0.9345	0.7960	1
1874	1904	-28.103	0.000	0.9611	0.8275	1
1874	1912	-38.081	0.000	0.9243	0.7251	1
1874	1915	-42.111	0.000	0.9186	0.7482	1
1874	1924	-46.148	0.000	0.8298	0.5706	1
1874	1926	-52.099	0.000	0.8824	0.6259	1
1874	1948	-66.111	0.000	0.9212	0.6773	1
1875	1878	-4.029	0.000	0.9742	0.8069	1
1875	1885	-11.999	0.000	0.9602	0.7804	1
1875	1887	-14.014	0.000	0.9732	0.8159	1
1875	1888	-16.029	0.000	0.9609	0.7382	1
1875	1890	-19.047	0.000	0.8910	0.7472	1
1875	1897	-23.997	0.000	0.9732	0.8526	1
1875	1899	-844.729	0.000	0.8084	0.4896	1
1875	1904	-28.037	0.000	0.9827	0.8563	1
1875	1912	-38.015	0.000	0.9713	0.8087	1
1875	1915	-42.045	0.000	0.9637	0.7935	1
1875	1924	-46.082	0.000	0.8575	0.5706	1
1875	1926	-52.033	0.000	0.9194	0.6757	1
1875	1948	-66.045	0.000	0.9709	0.7693	1
1875	2049	-195.087	0.000	0.7297	0.5924	1
1875	2107	-443.301	0.000	0.9375	0.6363	1
1875	2130	-695.545	0.000	0.8850	0.5576	1
1875	2143	-757.569	0.000	0.8942	0.5670	1
1875	2145	-771.576	0.000	0.8836	0.5670	1
1875	2148	-782.570	0.000	0.8702	0.5670	1
1875	2149	-783.581	0.000	0.8842	0.5670	1
1875	2152	-795.577	0.000	0.8904	0.5670	1
1875	2153	-797.590	0.000	0.8875	0.5670	1
1875	2158	-847.607	0.000	0.8837	0.5576	1
1878	1885	-7.970	0.000	0.9697	0.7399	1
1878	1887	-9.985	0.000	0.9912	0.9287	1
1878	1888	-12.000	0.000	0.9830	0.8458	1
1878	1890	-15.018	0.000	0.8977	0.7094	1
1878	1897	-19.968	0.000	0.9910	0.8567	1
1878	1904	-24.008	0.000	0.9857	0.8521	1
1878	1912	-33.986	0.000	0.9851	0.8777	1
1878	1915	-38.016	0.000	0.9865	0.9122	1
1878	1924	-42.053	0.000	0.8499	0.5152	1
1878	1926	-48.004	0.000	0.9368	0.6845	1
1878	1948	-62.016	0.000	0.9913	0.9132	1
1878	2049	-191.058	0.000	0.7463	0.6405	1
1878	2130	-691.516	0.000	0.8915	0.6468	1
1878	2132	-715.518	0.000	0.8867	0.5759	1
1878	2141	-743.546	0.000	0.8866	0.6116	1
1878	2144	-757.566	0.000	0.8961	0.6065	1
1878	2150	-781.567	0.000	0.8841	0.6116	1
1878	2152	-791.548	0.000	0.8889	0.6065	1
1885	1887	-2.015	0.000	0.9737	0.7821	1
1885	1888	-4.030	0.000	0.9598	0.7248	1
1885	1897	-11.998	0.000	0.9641	0.7653	1
1885	1904	-16.038	0.000	0.9562	0.7248	1
1885	1912	-26.016	0.000	0.9795	0.7804	1
1885	1915	-30.046	0.000	0.9527	0.7399	1
1885	1924	-34.083	0.000	0.8448	0.5378	1
1885	1926	-40.034	0.000	0.9212	0.6764	1
1885	1948	-54.046	0.000	0.9731	0.7399	1
1885	2049	-183.088	0.000	0.7432	0.5924	1
1887	1888	-2.015	0.000	0.9918	0.8834	1
1887	1890	-5.033	0.000	0.8910	0.7645	1
1887	1897	-9.983	0.000	0.9859	0.8350	1
1887	1904	-14.023	0.000	0.9750	0.8127	1
1887	1912	-24.001	0.000	0.9928	0.9079	1
1887	1915	-28.031	0.000	0.9824	0.9181	1
1887	1924	-32.068	0.000	0.8342	0.5090	1
1887	1948	-52.031	0.000	0.9850	0.8645	1
1887	2049	-181.073	0.000	0.7472	0.5924	1
1887	2112	-471.334	0.000	0.8661	0.6487	1
1887	2130	-681.531	0.000	0.8824	0.6264	1
1887	2141	-733.561	0.000	0.8878	0.5925	1
1887	2145	-757.562	0.000	0.8892	0.6157	1
1887	2146	-759.575	0.000	0.8854	0.5964	1
1887	2152	-781.563	0.000	0.8873	0.5988	1
1887	2153	-783.576	0.000	0.8902	0.6156	1
1887	2154	-785.591	0.000	0.8880	0.5931	1
1888	1890	-3.018	0.000	0.8970	0.6888	1
1888	1897	-7.968	0.000	0.9737	0.7816	1
1888	1904	-12.008	0.000	0.9653	0.7832	1
1888	1912	-21.986	0.000	0.9789	0.7857	1
1888	1915	-26.016	0.000	0.9837	0.8759	1
1888	1926	-36.004	0.000	0.9167	0.6292	1
1888	1948	-50.016	0.000	0.9795	0.8458	1
1888	2049	-179.058	0.000	0.7390	0.5924	1
1888	2107	-427.272	0.000	0.9435	0.6986	1
1888	2112	-469.319	0.000	0.8665	0.6412	1
1888	2130	-679.516	0.000	0.8859	0.6249	1
1890	1897	-4.950	0.000	0.8997	0.7984	1
1890	1904	-8.990	0.000	0.8922	0.7635	1
1890	1912	-18.968	0.000	0.8569	0.5923	1
1890	1915	-22.998	0.000	0.9406	0.8185	1
1890	1924	-27.035	0.000	0.7934	0.5152	1
1890	1948	-46.998	0.000	0.8744	0.6337	1
1890	2130	-676.498	0.000	0.8289	0.5859	1
1890	2140	-726.511	0.000	0.8280	0.5784	1
1890	2141	-728.528	0.000	0.8313	0.6325	1
1890	2144	-742.548	0.000	0.8415	0.5859	1
1890	2146	-754.542	0.000	0.8411	0.5784	1
1890	2153	-778.543	0.000	0.8415	0.6325	1
1890	2154	-780.558	0.000	0.8403	0.5859	1
1890	2156	-804.560	0.000	0.8354	0.5859	1
1897	1899	-820.732	0.000	0.7988	0.5427	1
1897	1904	-4.040	0.000	0.9805	0.8557	1
1897	1912	-14.018	0.000	0.9835	0.8039	1
1897	1915	-18.048	0.000	0.9741	0.8530	1
1897	1924	-22.085	0.000	0.8490	0.5706	1
1897	1926	-28.036	0.000	0.9284	0.6845	1
1897	1948	-42.048	0.000	0.9827	0.8098	1
1897	2049	-171.090	0.000	0.7460	0.5924	1
1897	2112	-461.351	0.000	0.8594	0.5573	1
1897	2130	-671.548	0.000	0.8852	0.5647	1
1897	2143	-733.572	0.000	0.8878	0.5342	1
1897	2148	-758.573	0.000	0.8606	0.5342	1
1897	2149	-759.584	0.000	0.8659	0.5342	1
1897	2152	-771.580	0.000	0.8866	0.5342	1
1897	2153	-773.593	0.000	0.8797	0.5342	1
1897	2156	-799.610	0.000	0.8846	0.5273	1
1898	1899	-0.994	0.000	0.7862	0.5948	1
1898	1927	-58.040	0.000	0.9326	0.7784	1
1899	1919	-40.014	0.000	0.7939	0.5943	1
1899	1927	-57.046	0.000	0.7920	0.6271	1
1899	2143	87.160	0.000	0.8785	0.4896	1
1899	2145	73.153	0.000	0.8655	0.4831	1
1899	2148	62.159	0.000	0.8657	0.4896	1
1899	2149	61.148	0.000	0.8780	0.4896	1
1899	2152	49.152	0.000	0.8731	0.5107	1
1899	2153	47.139	0.000	0.8772	0.4896	1
1899	2156	21.122	0.000	0.8775	0.5138	1
1904	1912	-9.978	0.000	0.9746	0.7997	1
1904	1915	-14.008	0.000	0.9714	0.8521	1
1904	1924	-18.045	0.000	0.8421	0.5152	1
1904	1926	-23.996	0.000	0.9339	0.6845	1
1904	1948	-38.008	0.000	0.9814	0.8112	1
1904	2049	-167.050	0.000	0.7328	0.5924	1
1904	2112	-457.311	0.000	0.8297	0.5198	1
1904	2130	-667.508	0.000	0.8661	0.5572	1
1907	2026	-130.064	0.000	0.7008	0.4946	1
1909	2072	1440.411	0.000	0.8775	0.7293	1
1909	2073	1439.410	0.000	0.7882	0.6755	1
1912	1915	-4.030	0.000	0.9653	0.8104	1
1912	1924	-8.067	0.000	0.8382	0.5378	1
1912	1926	-14.018	0.000	0.9294	0.6845	1
1912	1948	-28.030	0.000	0.9860	0.8869	1
1912	2049	-157.072	0.000	0.7487	0.5924	1
1912	2107	-405.286	0.000	0.9498	0.7568	1
1912	2112	-447.333	0.000	0.8524	0.5934	1
1912	2113	-457.315	0.000	0.8486	0.6021	1
1912	2152	-757.562	0.000	0.8815	0.5853	1
1915	1924	-4.037	0.000	0.8392	0.5152	1
1915	1926	-9.988	0.000	0.9281	0.6845	1
1915	1948	-24.000	0.000	0.9818	0.8805	1
1915	2049	-153.042	0.000	0.7256	0.5924	1
1915	2112	-443.303	0.000	0.8489	0.6346	1
1915	2130	-653.500	0.000	0.8888	0.6833	1
1915	2141	-705.530	0.000	0.8866	0.6527	1
1915	2143	-715.524	0.000	0.8917	0.6357	1
1915	2144	-719.550	0.000	0.8964	0.6527	1
1915	2145	-729.531	0.000	0.8813	0.6554	1
1915	2153	-755.545	0.000	0.8926	0.6554	1
1915	2154	-757.560	0.000	0.8937	0.6527	1
1915	2156	-781.562	0.000	0.8921	0.6527	1
1919	1920	-1.006	0.000	0.7850	0.5826	1
1919	1927	-17.032	0.000	0.7712	0.5651	1
1920	1927	-16.026	0.000	0.7729	0.5528	1
1924	2141	-701.493	0.000	0.8397	0.4774	1
1924	2143	-711.487	0.000	0.8728	0.5110	1
1924	2145	-725.494	0.000	0.8490	0.5110	1
1924	2152	-749.495	0.000	0.8670	0.5110	1
1924	2153	-751.508	0.000	0.8545	0.5110	1
1926	1948	-14.012	0.000	0.9496	0.6845	1
1948	2049	-129.042	0.000	0.7491	0.5924	1
1948	2112	-419.303	0.000	0.8647	0.6542	1
1948	2130	-629.500	0.000	0.8917	0.6542	1
1948	2145	-705.531	0.000	0.8803	0.6153	1
2049	2109	-276.246	0.000	0.8262	0.6211	1
2049	2113	-300.243	0.000	0.7631	0.5832	1
2072	2073	-1.001	0.000	0.8649	0.6805	1
2072	2074	-1.997	0.000	0.7616	0.6246	1
2073	2074	-0.996	0.000	0.8067	0.6867	1
2108	2109	-14.016	0.000	0.9650	0.7069	1
2108	2112	-28.031	0.000	0.9654	0.7459	1
2108	2145	-314.259	0.000	0.9196	0.6689	1
2109	2112	-14.015	0.000	0.9631	0.7305	1
2109	2113	-23.997	0.000	0.9227	0.5832	1
2109	2130	-224.212	0.000	0.9308	0.6427	1
2112	2130	-210.197	0.000	0.9453	0.7503	1
2112	2136	-248.224	0.000	0.8982	0.5777	1
2112	2140	-260.210	0.000	0.9263	0.6626	1
2112	2141	-262.227	0.000	0.9371	0.6626	1
2112	2143	-272.221	0.000	0.9171	0.5730	1
2112	2144	-276.247	0.000	0.9176	0.5937	1
2112	2145	-286.228	0.000	0.9371	0.7036	1
2112	2146	-288.241	0.000	0.9151	0.6293	1
2112	2152	-310.229	0.000	0.9360	0.7233	1
2112	2153	-312.242	0.000	0.9098	0.5937	1
2112	2154	-314.257	0.000	0.9096	0.5479	1
2112	2155	-336.240	0.000	0.9044	0.5730	1
2112	2156	-338.259	0.000	0.9084	0.5479	1
2112	2158	-362.259	0.000	0.9115	0.5730	1
2113	2145	-276.246	0.000	0.9019	0.5851	1
2113	2152	-300.247	0.000	0.9059	0.5851	1
2130	2132	-24.002	0.000	0.9657	0.6692	1
2130	2136	-38.027	0.000	0.9709	0.7196	1
2130	2140	-50.013	0.000	0.9666	0.7124	1
2130	2141	-52.030	0.000	0.9801	0.7749	1
2130	2143	-62.024	0.000	0.9700	0.6869	1
2130	2144	-66.050	0.000	0.9800	0.7354	1
2130	2145	-76.031	0.000	0.9766	0.7749	1
2130	2146	-78.044	0.000	0.9619	0.6728	1
2130	2150	-90.051	0.000	0.9638	0.6869	1
2130	2152	-100.032	0.000	0.9793	0.7679	1
2130	2153	-102.045	0.000	0.9660	0.7354	1
2130	2154	-104.060	0.000	0.9640	0.6939	1
2130	2156	-128.062	0.000	0.9698	0.6939	1
2130	2158	-152.062	0.000	0.9653	0.6869	1
2132	2133	-1.003	0.000	0.9594	0.7510	1
2132	2136	-14.025	0.000	0.9568	0.6661	1
2132	2140	-26.011	0.000	0.9623	0.6113	1
2132	2141	-28.028	0.000	0.9783	0.7482	1
2132	2144	-42.048	0.000	0.9739	0.7327	1
2132	2145	-52.029	0.000	0.9786	0.6998	1
2132	2146	-54.042	0.000	0.9621	0.6536	1
2132	2150	-66.049	0.000	0.9510	0.6757	1
2132	2152	-76.030	0.000	0.9758	0.6568	1
2132	2153	-78.043	0.000	0.9580	0.6426	1
2133	2140	-25.008	0.000	0.9772	0.6526	1
2133	2141	-27.025	0.000	0.9805	0.7548	1
2133	2143	-37.019	0.000	0.9744	0.6865	1
2133	2145	-51.026	0.000	0.9759	0.7092	1
2133	2146	-53.039	0.000	0.9812	0.7121	1
2136	2140	-11.986	0.000	0.9490	0.6357	1
2136	2141	-14.003	0.000	0.9616	0.7196	1
2136	2143	-23.997	0.000	0.9695	0.6947	1
2136	2144	-28.023	0.000	0.9743	0.7196	1
2136	2145	-38.004	0.000	0.9588	0.7196	1
2136	2146	-40.017	0.000	0.9508	0.6357	1
2136	2150	-52.024	0.000	0.9599	0.6947	1
2136	2152	-62.005	0.000	0.9686	0.7196	1
2136	2153	-64.018	0.000	0.9594	0.7196	1
2136	2154	-66.033	0.000	0.9577	0.6947	1
2136	2155	-88.016	0.000	0.9544	0.6853	1
2136	2156	-90.035	0.000	0.9673	0.6947	1
2136	2158	-114.035	0.000	0.9616	0.6947	1
2139	2145	-28.031	0.000	0.9571	0.6954	1
2140	2141	-2.017	0.000	0.9899	0.8138	1
2140	2143	-12.011	0.000	0.9595	0.6459	1
2140	2144	-16.037	0.000	0.9748	0.7051	1
2140	2145	-26.018	0.000	0.9841	0.7802	1
2140	2146	-28.031	0.000	0.9855	0.7810	1
2140	2150	-40.038	0.000	0.9514	0.6464	1
2140	2152	-50.019	0.000	0.9739	0.7474	1
2140	2153	-52.032	0.000	0.9818	0.7602	1
2140	2154	-54.047	0.000	0.9748	0.7363	1
2140	2155	-76.030	0.000	0.9573	0.6677	1
2140	2156	-78.049	0.000	0.9656	0.6667	1
2141	2143	-9.994	0.000	0.9747	0.7566	1
2141	2144	-14.020	0.000	0.9841	0.7978	1
2141	2145	-24.001	0.000	0.9924	0.8511	1
2141	2146	-26.014	0.000	0.9918	0.8750	1
2141	2149	-36.006	0.000	0.9431	0.7057	1
2141	2150	-38.021	0.000	0.9608	0.7381	1
2141	2152	-48.002	0.000	0.9836	0.7824	1
2141	2153	-50.015	0.000	0.9878	0.8448	1
2141	2154	-52.030	0.000	0.9959	0.8998	1
2141	2155	-74.013	0.000	0.9606	0.6677	1
2141	2156	-76.032	0.000	0.9869	0.8301	1
2141	2158	-100.032	0.000	0.9677	0.7016	1
2143	2145	-14.007	0.000	0.9737	0.7590	1
2143	2146	-16.020	0.000	0.9677	0.7036	1
2143	2147	-24.004	0.000	0.9629	0.7207	1
2143	2148	-25.001	0.000	0.9526	0.7190	1
2143	2149	-26.012	0.000	0.9608	0.7190	1
2143	2152	-38.008	0.000	0.9774	0.7316	1
2143	2153	-40.021	0.000	0.9791	0.7667	1
2143	2154	-42.036	0.000	0.9769	0.7566	1
2143	2155	-64.019	0.000	0.9652	0.6853	1
2143	2156	-66.038	0.000	0.9806	0.7566	1
2143	2158	-90.038	0.000	0.9733	0.7016	1
2144	2145	-9.981	0.000	0.9795	0.7679	1
2144	2146	-11.994	0.000	0.9806	0.7630	1
2144	2150	-24.001	0.000	0.9783	0.7381	1
2144	2152	-33.982	0.000	0.9722	0.6991	1
2144	2153	-35.995	0.000	0.9840	0.7716	1
2144	2154	-38.010	0.000	0.9823	0.7766	1
2144	2156	-62.012	0.000	0.9853	0.7842	1
2145	2146	-2.013	0.000	0.9865	0.8662	1
2145	2147	-9.997	0.000	0.9525	0.7034	1
2145	2148	-10.994	0.000	0.9398	0.6830	1
2145	2149	-12.005	0.000	0.9443	0.6830	1
2145	2152	-24.001	0.000	0.9923	0.8810	1
2145	2153	-26.014	0.000	0.9906	0.8743	1
2145	2154	-28.029	0.000	0.9905	0.8454	1
2145	2155	-50.012	0.000	0.9669	0.7332	1
2145	2156	-52.031	0.000	0.9863	0.8369	1
2145	2158	-76.031	0.000	0.9823	0.7749	1
2146	2152	-21.988	0.000	0.9721	0.7583	1
2146	2153	-24.001	0.000	0.9886	0.8205	1
2146	2154	-26.016	0.000	0.9919	0.8538	1
2146	2155	-47.999	0.000	0.9652	0.6965	1
2146	2156	-50.018	0.000	0.9836	0.8246	1
2146	2158	-74.018	0.000	0.9717	0.7366	1
2147	2152	-14.004	0.000	0.9601	0.7059	1
2147	2153	-16.017	0.000	0.9609	0.7146	1
2148	2149	-1.011	0.000	0.9471	0.7383	1
2148	2152	-13.007	0.000	0.9461	0.6893	1
2148	2153	-15.020	0.000	0.9533	0.7042	1
2149	2152	-11.996	0.000	0.9514	0.6849	1
2149	2153	-14.009	0.000	0.9592	0.7042	1
2150	2153	-11.994	0.000	0.9663	0.7185	1
2150	2154	-14.009	0.000	0.9646	0.7185	1
2150	2156	-38.011	0.000	0.9698	0.7185	1
2152	2153	-2.013	0.000	0.9832	0.8459	1
2152	2154	-4.028	0.000	0.9763	0.7570	1
2152	2155	-26.011	0.000	0.9671	0.7332	1
2152	2156	-28.030	0.000	0.9876	0.8081	1
2152	2158	-52.030	0.000	0.9822	0.7700	1
2153	2154	-2.015	0.000	0.9910	0.8046	1
2153	2155	-23.998	0.000	0.9655	0.6774	1
2153	2156	-26.017	0.000	0.9870	0.8083	1
2153	2158	-50.017	0.000	0.9771	0.7366	1
2154	2155	-21.983	0.000	0.9684	0.6965	1
2154	2156	-24.002	0.000	0.9903	0.8388	1
2154	2158	-48.002	0.000	0.9849	0.7864	1
2155	2156	-2.019	0.000	0.9668	0.6965	1
2155	2158	-26.019	0.000	0.9727	0.7332	1
2156	2158	-24.000	0.000	0.9866	0.7852	1
                                                                                                                                                                                                                                                                                                                                                                                                                                           nf_output/networking/filtered_pairs.tsv                                                             0000644 0000000 0000000 00000026443 14572074203 017535  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   CLUSTERID1	CLUSTERID2	ComponentIndex	Cosine	DeltaMZ
491	675	1	0.9032	-44.027
491	947	1	0.8076	-114.032
328	480	1	0.8588	-28.031
480	995	1	0.768	-130.027
557	740	1	0.7068	-44.015
557	947	1	0.8123	-100.016
557	995	1	0.8493	-114.032
557	1111	1	0.7973	-144.043
724	947	1	0.7416	297.193
328	995	1	0.8186	-158.058
995	1771	1	0.7537	-283.172
947	1111	1	0.8612	-44.027
995	1111	1	0.8507	-30.011
947	1376	1	0.8551	-124.198
1376	1454	1	0.8826	-28.031
947	995	1	0.8373	-14.016
947	1454	1	0.7944	-152.229
740	947	1	0.7205	-56.001
2130	2143	2	0.97	-62.024
2133	2143	2	0.9744	-37.019
2136	2143	2	0.9695	-23.997
2143	2152	2	0.9774	-38.008
2143	2153	2	0.9791	-40.021
2143	2154	2	0.9769	-42.036
2143	2156	2	0.9806	-66.038
2143	2158	2	0.9733	-90.038
2130	2144	2	0.98	-66.050
2136	2144	2	0.9743	-28.023
2140	2144	2	0.9748	-16.037
2141	2144	2	0.9841	-14.020
2144	2145	2	0.9795	-9.981
2144	2146	2	0.9806	-11.994
2144	2150	2	0.9783	-24.001
2144	2153	2	0.984	-35.995
2144	2154	2	0.9823	-38.010
2144	2156	2	0.9853	-62.012
2136	2150	2	0.9599	-52.024
2150	2156	2	0.9698	-38.011
2130	2156	2	0.9698	-128.062
2141	2156	2	0.9869	-76.032
2145	2156	2	0.9863	-52.031
2146	2156	2	0.9836	-50.018
2152	2156	2	0.9876	-28.030
2153	2156	2	0.987	-26.017
2154	2156	2	0.9903	-24.002
2156	2158	2	0.9866	-24.000
2140	2154	2	0.9748	-54.047
2141	2154	2	0.9959	-52.030
2145	2154	2	0.9905	-28.029
2146	2154	2	0.9919	-26.016
2152	2154	2	0.9763	-4.028
2153	2154	2	0.991	-2.015
2154	2158	2	0.9849	-48.002
2130	2132	2	0.9657	-24.002
2130	2136	2	0.9709	-38.027
2130	2140	2	0.9666	-50.013
2130	2141	2	0.9801	-52.030
2130	2152	2	0.9793	-100.032
2132	2133	2	0.9594	-1.003
2133	2140	2	0.9772	-25.008
2133	2141	2	0.9805	-27.025
2133	2146	2	0.9812	-53.039
2132	2152	2	0.9758	-76.030
2140	2152	2	0.9739	-50.019
2141	2152	2	0.9836	-48.002
2145	2152	2	0.9923	-24.001
2152	2153	2	0.9832	-2.013
2152	2158	2	0.9822	-52.030
2145	2158	2	0.9823	-76.031
2146	2158	2	0.9717	-74.018
2153	2158	2	0.9771	-50.017
2155	2158	2	0.9727	-26.019
2140	2141	2	0.9899	-2.017
2141	2145	2	0.9924	-24.001
2141	2146	2	0.9918	-26.014
2141	2153	2	0.9878	-50.015
2132	2145	2	0.9786	-52.029
2140	2145	2	0.9841	-26.018
2145	2146	2	0.9865	-2.013
2145	2153	2	0.9906	-26.014
2140	2153	2	0.9818	-52.032
2146	2153	2	0.9886	-24.001
2140	2146	2	0.9855	-28.031
1909	2072	3	0.8775	1440.411
2072	2073	3	0.8649	-1.001
2072	2074	3	0.7616	-1.997
1909	2073	3	0.7882	1439.410
2073	2074	3	0.8067	-0.996
1192	1313	4	0.9404	-40.031
1260	1313	4	0.9518	-14.015
1313	1319	4	0.9062	-2.016
1313	1371	4	0.8277	-16.033
2049	2113	4	0.7631	-300.243
2109	2113	4	0.9227	-23.997
1260	2049	4	0.8651	-483.333
1371	2049	4	0.7864	-453.285
2049	2109	4	0.8262	-276.246
1192	1260	4	0.9354	-26.016
1227	1265	4	0.934	-14.016
1265	1319	4	0.8738	-14.015
1265	1371	4	0.8205	-28.032
1319	1370	4	0.8765	-13.979
1723	1839	4	0.7446	-76.027
1839	1869	4	0.7165	-24.004
1191	1227	4	0.7127	-14.016
1227	1319	4	0.8107	-28.031
1227	1371	4	0.7654	-42.048
1227	1723	4	0.7408	-196.182
1138	1191	4	0.7054	-14.015
1319	1371	4	0.855	-14.017
1260	1319	4	0.891	-16.031
2108	2109	4	0.965	-14.016
2109	2112	4	0.9631	-14.015
2108	2112	4	0.9654	-28.031
1753	1948	5	0.9926	-159.056
1795	1948	5	0.9881	-130.078
1813	1948	5	0.9892	-116.063
1814	1948	5	0.9892	-116.024
1831	1948	5	0.9858	-104.061
1844	1948	5	0.993	-90.048
1861	1948	5	0.9863	-80.061
1878	1948	5	0.9913	-62.016
1912	1948	5	0.986	-28.030
1753	1782	5	0.9885	-17.017
1782	1904	5	0.9751	-104.031
1795	1887	5	0.9922	-78.047
1813	1887	5	0.9874	-64.032
1814	1887	5	0.9882	-63.993
1831	1887	5	0.9898	-52.030
1844	1887	5	0.9907	-38.017
1861	1887	5	0.9924	-28.030
1863	1887	5	0.9954	-24.000
1878	1887	5	0.9912	-9.985
1887	1888	5	0.9918	-2.015
1887	1912	5	0.9928	-24.001
1795	1863	5	0.9925	-54.047
1813	1863	5	0.9862	-40.032
1831	1863	5	0.9903	-28.030
1861	1863	5	0.9888	-4.030
1863	1878	5	0.9863	-14.015
1863	1888	5	0.996	-26.015
1863	1912	5	0.9889	-48.001
1753	1861	5	0.9885	-78.995
1795	1861	5	0.9941	-50.017
1813	1861	5	0.986	-36.002
1831	1861	5	0.998	-24.000
1844	1861	5	0.9899	-9.987
1861	1912	5	0.9972	-52.031
1753	1912	5	0.9877	-131.026
1795	1912	5	0.9914	-102.048
1813	1912	5	0.9858	-88.033
1831	1912	5	0.9943	-76.031
1795	1813	5	0.9893	-14.015
1813	1814	5	0.9863	-0.039
1813	1831	5	0.9872	-12.002
1813	1878	5	0.9876	-54.047
1878	1915	5	0.9865	-38.016
1888	1915	5	0.9837	-26.016
1875	1904	5	0.9827	-28.037
1753	1814	5	0.9913	-43.032
1753	1831	5	0.9885	-54.995
1753	1844	5	0.996	-69.008
1753	1878	5	0.9925	-97.040
1753	1897	5	0.9885	-117.008
1797	1814	5	0.9872	-12.038
1797	1844	5	0.9892	-38.014
1797	1878	5	0.9863	-66.046
1795	1831	5	0.9952	-26.017
1831	1844	5	0.9902	-14.013
1814	1897	5	0.9881	-73.976
1844	1897	5	0.9918	-48.000
1878	1897	5	0.991	-19.968
1795	1844	5	0.9914	-40.030
1814	1844	5	0.9964	-25.976
1844	1878	5	0.9976	-28.032
1795	1814	5	0.9881	-14.054
1795	1878	5	0.9889	-68.062
1814	1878	5	0.9954	-54.008
196	204	6	0.8948	-2.016
204	442	6	0.7247	-47.001
786	1046	7	0.8416	-74.019
959	1012	8	0.7167	-15.995
865	965	8	0.7373	-32.026
965	1012	8	0.7283	-14.015
965	1026	8	0.7404	-18.011
799	865	8	0.7736	-15.996
656	729	8	0.767	-15.995
729	799	8	0.7132	-15.994
656	739	8	0.7864	-18.011
858	1158	8	0.8697	-84.021
799	858	8	0.7549	-14.016
264	268	9	0.8174	-0.112
763	840	10	0.7408	-18.011
840	902	10	0.7021	-17.026
1374	1776	11	0.8097	-176.104
1430	1776	11	0.8133	-158.094
1742	1776	11	0.9271	-18.010
1776	1781	11	0.8022	-3.997
1776	1790	11	0.912	-14.016
1776	1796	11	0.9434	-18.010
1776	1806	11	0.9426	-25.998
1776	1819	11	0.8806	-31.990
1776	1820	11	0.9513	-32.027
1776	1833	11	0.8709	-44.007
1374	1477	11	0.8907	-36.020
1430	1477	11	0.9092	-18.010
1477	1819	11	0.887	-172.074
1714	1751	11	0.8097	-18.011
1751	1781	11	0.7051	-18.012
1751	1796	11	0.7765	-32.025
1751	1806	11	0.76	-40.013
1751	1811	11	0.8422	-44.008
1751	1820	11	0.7978	-46.042
1374	1430	11	0.9374	-18.010
1374	1742	11	0.7629	-158.094
1374	1781	11	0.833	-180.101
1374	1790	11	0.7452	-190.120
1374	1819	11	0.9042	-208.094
1381	1430	11	0.9202	-14.015
1742	1833	11	0.8085	-62.017
1781	1833	11	0.7171	-40.010
1790	1833	11	0.7937	-29.991
1796	1833	11	0.9414	-25.997
1806	1833	11	0.8595	-18.009
1820	1833	11	0.884	-11.980
1430	1790	11	0.7544	-172.110
1742	1790	11	0.9049	-32.026
1781	1790	11	0.8073	-10.019
1790	1796	11	0.8578	-3.994
1790	1806	11	0.888	-11.982
1790	1819	11	0.8097	-17.974
1790	1820	11	0.9013	-18.011
1430	1819	11	0.8997	-190.084
1742	1819	11	0.8333	-50.000
1781	1819	11	0.8572	-27.993
1796	1819	11	0.8488	-13.980
1806	1819	11	0.8183	-5.992
1819	1820	11	0.8923	-0.037
1430	1742	11	0.7686	-140.084
1742	1781	11	0.8115	-22.007
1742	1796	11	0.8802	-36.020
1742	1806	11	0.8953	-44.008
1742	1820	11	0.9114	-50.037
1781	1806	11	0.7448	-22.001
1796	1806	11	0.9346	-7.988
1806	1811	11	0.8289	-3.995
1806	1820	11	0.9301	-6.029
1781	1796	11	0.7788	-14.013
1781	1820	11	0.8437	-28.030
1796	1811	11	0.8303	-11.983
1796	1820	11	0.9396	-14.017
1811	1820	11	0.8142	-2.034
571	618	12	0.9864	-14.016
618	696	12	0.9549	-17.026
618	809	12	0.9299	-44.026
618	823	12	0.7356	-47.038
618	882	12	0.8431	-61.053
618	1022	12	0.7258	-105.079
882	1616	12	0.735	-250.141
978	1616	12	0.746	-220.130
1424	1616	12	0.8513	-88.052
1506	1616	12	0.7909	-60.022
571	696	12	0.9519	-31.042
696	809	12	0.8727	-27.000
696	823	12	0.7169	-30.012
696	882	12	0.9314	-44.027
696	1022	12	0.8302	-88.053
882	1424	12	0.7756	-162.089
978	1424	12	0.796	-132.078
1022	1424	12	0.8272	-118.063
1424	1506	12	0.879	-28.030
809	978	12	0.701	-47.038
823	978	12	0.8541	-44.026
882	978	12	0.7363	-30.011
978	1022	12	0.8522	-14.015
978	1506	12	0.743	-160.108
571	882	12	0.8428	-75.069
809	882	12	0.934	-17.027
823	882	12	0.8981	-14.015
882	1022	12	0.886	-44.026
882	1506	12	0.7469	-190.119
571	809	12	0.9055	-58.042
809	823	12	0.8389	-3.012
809	1022	12	0.7579	-61.053
571	1022	12	0.7324	-119.095
823	1022	12	0.7441	-58.041
1022	1506	12	0.8379	-146.093
1407	1484	13	0.789	-28.031
1448	1484	13	0.8994	-14.015
1361	1407	13	0.7702	-15.995
1361	1702	13	0.7777	-146.022
1361	1736	13	0.7043	-160.037
1361	2026	13	0.7524	-422.185
1407	1448	13	0.8216	-14.016
1448	1487	13	0.8097	-15.995
1448	1736	13	0.7969	-130.026
1407	1736	13	0.7852	-144.042
1702	1736	13	0.7251	-14.015
1407	1487	13	0.7819	-30.011
1453	1487	13	0.7532	-14.016
1068	1702	13	0.7124	-231.028
1300	1702	13	0.7262	-162.053
1407	1702	13	0.7169	-130.027
1394	1407	13	0.779	-3.994
1068	1907	13	0.7014	-377.127
1907	2026	13	0.7008	-130.064
1068	2026	13	0.7255	-507.191
1407	1417	13	0.7121	-2.016
1407	1453	13	0.8308	-15.995
1407	2026	13	0.7018	-406.190
1417	1453	13	0.7114	-13.979
783	851	14	0.7269	-15.995
1525	1559	15	0.7185	-14.016
1559	1586	15	0.7017	-14.015
924	968	16	0.7249	-14.016
238	376	17	0.8716	-28.031
243	376	17	0.7135	-27.047
299	376	17	0.8367	-14.015
376	437	17	0.8014	-11.005
376	527	17	0.869	-28.031
376	647	17	0.7096	-57.010
376	833	17	0.7043	-99.020
376	898	17	0.765	-117.031
238	437	17	0.7414	-39.036
284	437	17	0.8429	-28.032
299	437	17	0.7788	-25.020
437	511	17	0.8049	-15.010
437	527	17	0.7236	-17.026
437	647	17	0.8381	-46.005
437	833	17	0.8445	-88.015
437	898	17	0.7387	-106.026
238	243	17	0.8263	-0.984
243	303	17	0.7601	-14.015
243	527	17	0.7823	-55.078
238	647	17	0.7248	-85.041
284	647	17	0.939	-74.037
511	647	17	0.7091	-30.995
647	833	17	0.8562	-42.010
647	898	17	0.7503	-60.021
238	284	17	0.747	-11.004
284	299	17	0.7047	-3.012
284	833	17	0.8204	-116.047
284	898	17	0.7233	-134.058
299	511	17	0.703	-40.030
511	833	17	0.724	-73.005
833	898	17	0.7696	-18.011
299	643	17	0.8246	-70.078
898	1439	17	0.7338	-164.241
238	299	17	0.8397	-14.016
299	527	17	0.7338	-42.046
299	898	17	0.7472	-131.046
238	527	17	0.9552	-56.062
238	898	17	0.7285	-145.062
527	898	17	0.7021	-89.000
772	849	18	0.7172	-18.011
689	849	18	0.7322	-36.022
849	909	18	0.7683	-17.026
1836	1890	19	0.8993	-52.035
1835	1836	19	0.9332	-1.003
1835	1865	19	0.9863	-27.021
1836	1865	19	0.931	-26.018
1634	1668	20	0.8409	-14.018
918	962	22	0.908	-28.032
962	1001	22	0.7678	-23.998
962	1004	22	0.7958	-26.014
962	1043	22	0.7728	-47.998
918	955	22	0.9038	-24.000
955	1001	22	0.8636	-28.030
955	1254	22	0.719	330.128
920	1254	22	0.7027	308.128
1001	1004	22	0.7872	-2.016
1004	1043	22	0.7762	-21.984
1001	1254	22	0.7518	358.158
1181	1254	22	0.9729	-28.032
1001	1043	22	0.8246	-24.000
1001	1181	22	0.7351	386.190
46	53	23	0.755	-2.016
46	119	23	0.8364	-18.011
237	364	23	0.7661	-25.021
237	450	23	0.8354	-42.047
237	588	23	0.7517	-70.078
53	367	23	0.8564	-66.083
275	367	23	0.7223	-17.026
359	367	23	0.7981	-2.015
367	450	23	0.7718	-15.995
367	588	23	0.7998	-44.026
275	359	23	0.8267	-15.011
275	588	23	0.8383	-61.052
359	450	23	0.7798	-18.010
364	450	23	0.703	-17.026
450	588	23	0.8208	-28.031
2	359	23	0.7227	-78.084
359	588	23	0.8162	-46.041
1830	1858	24	0.7764	-23.999
1856	1858	24	0.8216	0.000
1858	1934	24	0.7294	-76.029
1830	1856	24	0.8234	-23.999
1830	1934	24	0.8155	-100.028
1856	1934	24	0.8641	-76.029
872	876	25	0.7192	-1.004
872	973	25	0.824	-32.027
973	1021	25	0.8228	-14.015
75	135	26	0.8567	-14.016
1601	1631	30	0.71	-14.016
1919	1920	31	0.785	-1.006
1919	1927	31	0.7712	-17.032
1898	1927	31	0.9326	-58.040
1920	1927	31	0.7729	-16.026
985	1206	32	0.8637	-59.037
598	720	33	0.7237	-27.996
1840	2148	35	0.7524	-41.055
1899	2148	35	0.8657	62.159
2148	2149	35	0.9471	-1.011
1899	2149	35	0.878	61.148
1339	1387	36	0.8399	-14.016
1744	1981	38	0.7657	307.235
1679	1716	39	0.8132	-14.016
671	801	40	0.8185	-30.011
748	1013	43	0.7101	-74.036
1242	1337	44	0.7941	-30.010
1337	1386	44	0.8861	-14.016
650	651	45	0.8706	-0.036
246	389	46	0.9289	-28.032
1609	1640	47	0.8114	-15.995
1234	1275	51	0.8143	-14.016
1234	1295	51	0.7594	-18.010
1630	1632	52	0.7082	-0.993
541	593	53	0.9556	-14.016
                                                                                                                                                                                                                             nf_output/networking/network_singletons.graphml                                                     0000644 0000000 0000000 00000733513 14572074605 021326  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
  
    
      1596.19 
      11.42 
      11.42 
      0 
      2 
     
    
      1580.17 
      10.85 
      10.85 
      0 
      35 
     
    
      746.568 
      9.7 
      9.7 
      0 
      5 
      Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      1542.14 
      8.92 
      8.92 
      0 
      2 
     
    
      538.35 
      9.46 
      9.46 
      0 
      4 
     
    
      367.248 
      7.15 
      7.15 
      0 
      18 
     
    
      424.364 
      10.27 
      10.27 
      0 
      12 
     
    
      1558.18 
      10.88 
      10.88 
      0 
      2 
     
    
      374.138 
      6.9 
      6.9 
      0 
      8 
     
    
      732.553 
      10.18 
      10.18 
      0 
      5 
      Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      666.293 
      6.33 
      6.33 
      0 
      20 
     
    
      1592.16 
      9.98 
      9.98 
      0 
      2 
     
    
      1267.92 
      9.07 
      9.07 
      0 
      4 
     
    
      340.393 
      10.61 
      10.61 
      0 
      45 
     
    
      423.191 
      8.97 
      8.97 
      0 
      16 
     
    
      772.583 
      10.12 
      10.12 
      0 
      5 
      Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      840.521 
      6.67 
      6.67 
      0 
      22 
     
    
      438.191 
      8.28 
      8.28 
      0 
      25 
     
    
      536.228 
      7.46 
      7.46 
      0 
      13 
     
    
      698.448 
      5.54 
      5.54 
      0 
      11 
     
    
      756.553 
      12.53 
      12.53 
      0 
      24 
      Spectral Match to 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      544.349 
      5.22 
      5.22 
      0 
      11 
     
    
      746.607 
      10.98 
      10.98 
      0 
      5 
      Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      1570.18 
      11.83 
      11.83 
      0 
      2 
     
    
      652.275 
      5.83 
      5.83 
      0 
      20 
     
    
      460.255 
      3.03 
      3.03 
      0 
      1 
     
    
      546.249 
      8.16 
      8.16 
      0 
      44 
     
    
      482.324 
      8.79 
      8.79 
      0 
      4 
     
    
      682.25 
      5.97 
      5.97 
      0 
      13 
     
    
      445.12 
      14.72 
      14.72 
      0 
      7 
     
    
      451.222 
      7.79 
      7.79 
      0 
      13 
     
    
      256.263 
      11.19 
      11.19 
      0 
      46 
      Spectral Match to Palmitamide from NIST14 
      CCCCCCCCCCCCCCCC(=O)N 
      InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      595.257 
      8.59 
      8.59 
      0 
      15 
     
    
      383.243 
      7.3 
      7.3 
      0 
      10 
     
    
      558.364 
      5.1 
      5.1 
      0 
      11 
     
    
      254.211 
      8.45 
      8.45 
      0 
      23 
     
    
      644.494 
      9.96 
      9.96 
      0 
      12 
     
    
      230.175 
      7.79 
      7.79 
      0 
      23 
     
    
      487.095 
      7.14 
      7.14 
      0 
      32 
     
    
      400.269 
      8.19 
      8.19 
      0 
      10 
     
    
      1530.16 
      10.81 
      10.81 
      0 
      2 
     
    
      792.553 
      7.15 
      7.15 
      0 
      4 
     
    
      436.175 
      8.04 
      8.04 
      0 
      8 
     
    
      265.252 
      10.89 
      10.89 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      340.357 
      9.6 
      9.6 
      0 
      45 
     
    
      279.232 
      9.02 
      9.02 
      0 
      23 
      NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585] 
      CCCCCCCCC1OC1C(O)CCCCCCC(O)=O 
      InChI=1S/C18H34O4/c1-2-3-4-5-6-10-13-16-18(22-16)15(19)12-9-7-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21) 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Lineolic acids and derivatives 
      Octadecanoids 
      Other Octadecanoids 
      Fatty acids 
     
    
      609.273 
      8.84 
      8.84 
      0 
      15 
     
    
      393.153 
      6.33 
      6.33 
      0 
      25 
     
    
      836.489 
      7.4 
      7.4 
      0 
      22 
     
    
      1538.1 
      12.65 
      12.65 
      0 
      35 
     
    
      838.631 
      10.66 
      10.66 
      0 
      5 
     
    
      703.575 
      8.58 
      8.58 
      0 
      5 
     
    
      294.243 
      8.19 
      8.19 
      0 
      6 
     
    
      263.237 
      9.63 
      9.63 
      0 
      23 
     
    
      532.338 
      8.85 
      8.85 
      0 
      36 
     
    
      200.164 
      7.81 
      7.81 
      0 
      23 
     
    
      440.171 
      6.14 
      6.14 
      0 
      8 
     
    
      1698.36 
      12.92 
      12.92 
      0 
      31 
     
    
      814.489 
      10.15 
      10.15 
      0 
      22 
     
    
      302.196 
      1.9 
      1.9 
      0 
      1 
     
    
      748.485 
      5.13 
      5.13 
      0 
      11 
      Massbank:EA019109 Clarithromycin|6-O-Methylerythromycin|(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl- 
      CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC 
      1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1 
      Organic oxygen compounds 
      Organooxygen compounds 
      Carbohydrates and carbohydrate conjugates 
      Macrolides 
      Erythromycins 
      Polyketides 
     
    
      282.279 
      11.68 
      11.68 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      CCCCCCCC/C=C\\CCCCCCCC(=O)N 
      InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      1054.3 
      12.34 
      12.34 
      0 
      3 
     
    
      696.265 
      6.34 
      6.34 
      0 
      13 
     
    
      991.673 
      8.62 
      8.62 
      0 
      4 
     
    
      1948.56 
      13.74 
      13.74 
      0 
      52 
     
    
      742.456 
      6.19 
      6.19 
      0 
      11 
     
    
      472.175 
      8.62 
      8.62 
      0 
      8 
     
    
      734.569 
      10.45 
      10.45 
      0 
      5 
      Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      245.226 
      9.88 
      9.88 
      0 
      6 
     
    
      390.134 
      6.41 
      6.41 
      0 
      8 
     
    
      1554.16 
      10.87 
      10.87 
      0 
      2 
     
    
      1641.31 
      11.86 
      11.86 
      0 
      35 
     
    
      496.34 
      9.18 
      9.18 
      0 
      4 
     
    
      520.197 
      6.5 
      6.5 
      0 
      13 
     
    
      538.388 
      10.08 
      10.08 
      0 
      4 
     
    
      402.285 
      7.46 
      7.46 
      0 
      18 
     
    
      1579.16 
      10.89 
      10.89 
      0 
      35 
     
    
      254.248 
      10.35 
      10.35 
      0 
      17 
     
    
      856.581 
      11.13 
      11.13 
      0 
      24 
     
    
      815.633 
      13.12 
      13.12 
      0 
      19 
     
    
      424.176 
      6.99 
      6.99 
      0 
      25 
     
    
      810.6 
      10.22 
      10.22 
      0 
      5 
      Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      563.551 
      11.4 
      11.4 
      0 
      17 
      Spectral Match to 9-Octadecenamide, (Z)- from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      356.067 
      3.94 
      3.94 
      0 
      33 
     
    
      1516.13 
      10.83 
      10.83 
      0 
      2 
     
    
      339.289 
      10.92 
      10.92 
      0 
      17 
      Spectral Match to Monoelaidin from NIST14 
      CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O 
      InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+ 
      Lipids and lipid-like molecules 
      Glycerolipids 
      Monoradylglycerols 
      Glycerolipids 
      Monoacylglycerols 
      Fatty acids 
     
    
      584.472 
      11.28 
      11.28 
      0 
      12 
     
    
      686.433 
      8.72 
      8.72 
      0 
      39 
     
    
      212.164 
      7.71 
      7.71 
      0 
      23 
     
    
      280.263 
      9.5 
      9.5 
      0 
      23 
     
    
      468.309 
      8.05 
      8.05 
      0 
      4 
     
    
      221.117 
      7.01 
      7.01 
      0 
      26 
     
    
      834.601 
      9.15 
      9.15 
      0 
      5 
      PC(18:0/22:6); [M+H]+ C48H85N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      293.284 
      12.41 
      12.41 
      0 
      17 
     
    
      278.248 
      8.88 
      8.88 
      0 
      23 
     
    
      1056.3 
      11.62 
      11.62 
      0 
      3 
     
    
      796.586 
      11.19 
      11.19 
      0 
      5 
      PC(17:0/20:4); [M+H]+ C45H83N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      576.374 
      4.24 
      4.24 
      0 
      11 
     
    
      422.16 
      7.13 
      7.13 
      0 
      8 
     
    
      636.281 
      6.07 
      6.07 
      0 
      30 
     
    
      420.18 
      11.35 
      11.35 
      0 
      8 
     
    
      730.474 
      5.51 
      5.51 
      0 
      11 
     
    
      1568.16 
      10.61 
      10.61 
      0 
      2 
     
    
      692.522 
      10.46 
      10.46 
      0 
      4 
     
    
      319.284 
      10.14 
      10.14 
      0 
      12 
     
    
      812.489 
      7.12 
      7.12 
      0 
      22 
     
    
      436.175 
      6.96 
      6.96 
      0 
      43 
     
    
      522.355 
      8.57 
      8.57 
      0 
      4 
      Spectral Match to 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      554.239 
      7.19 
      7.19 
      0 
      13 
     
    
      346.223 
      1.96 
      1.96 
      0 
      1 
     
    
      430.244 
      3.26 
      3.26 
      0 
      1 
     
    
      333.3 
      10.49 
      10.49 
      0 
      12 
     
    
      1291.92 
      9.18 
      9.18 
      0 
      4 
     
    
      824.623 
      11.23 
      11.23 
      0 
      5 
     
    
      338.342 
      13.64 
      13.64 
      0 
      17 
      Spectral Match to 13-Docosenamide, (Z)- from NIST14 
      CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N 
      InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty amides 
      Fatty amides 
      Primary amides 
      Fatty acids 
     
    
      1517.14 
      11.41 
      11.41 
      0 
      2 
     
    
      300.217 
      2.46 
      2.46 
      0 
      1 
     
    
      1544.16 
      11.07 
      11.07 
      0 
      2 
     
    
      365.232 
      6.8 
      6.8 
      0 
      10 
     
    
      958.413 
      7.81 
      7.81 
      0 
      13 
     
    
      623.288 
      9.33 
      9.33 
      0 
      15 
     
    
      349.237 
      7.04 
      7.04 
      0 
      18 
     
    
      312.362 
      11.16 
      11.16 
      0 
      53 
     
    
      235.133 
      5.95 
      5.95 
      0 
      26 
     
    
      1786.41 
      13.18 
      13.18 
      0 
      38 
     
    
      763.598 
      12.4 
      12.4 
      0 
      19 
     
    
      1618.17 
      9.32 
      9.32 
      0 
      2 
     
    
      760.465 
      5.24 
      5.24 
      0 
      11 
     
    
      1253.9 
      8.64 
      8.64 
      0 
      4 
     
    
      748.448 
      4.54 
      4.54 
      0 
      11 
     
    
      1582.18 
      10.51 
      10.51 
      0 
      2 
     
    
      316.212 
      2.25 
      2.25 
      0 
      1 
     
    
      371.101 
      14.11 
      14.11 
      0 
      7 
      CAMPTOTHECIN 
      CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O 
      "InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3" 
      nan 
      nan 
      nan 
      Tryptophan alkaloids 
      Pyrroloquinoline alkaloids 
      Alkaloids 
     
    
      358.144 
      7.59 
      7.59 
      0 
      8 
     
    
      762.595 
      10.92 
      10.92 
      0 
      19 
      PC(16:0/18:0); [M+H]+ C42H85N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      506.361 
      8.35 
      8.35 
      0 
      22 
     
    
      812.615 
      6.39 
      6.39 
      0 
      5 
      PC(18:0/20:3); [M+H]+ C46H87N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      639.423 
      8.86 
      8.86 
      0 
      47 
     
    
      385.259 
      6.62 
      6.62 
      0 
      18 
     
    
      416.228 
      2.59 
      2.59 
      0 
      1 
     
    
      1594.18 
      10.85 
      10.85 
      0 
      2 
     
    
      650.297 
      6.53 
      6.53 
      0 
      30 
     
    
      820.583 
      10.32 
      10.32 
      0 
      5 
     
    
      272.186 
      2.79 
      2.79 
      0 
      1 
     
    
      780.552 
      13.7 
      13.7 
      0 
      24 
     
    
      580.254 
      7.84 
      7.84 
      0 
      13 
     
    
      377.326 
      10.53 
      10.53 
      0 
      12 
     
    
      438.379 
      10.67 
      10.67 
      0 
      12 
     
    
      394.353 
      10.53 
      10.53 
      0 
      12 
     
    
      388.154 
      9.57 
      9.57 
      0 
      8 
     
    
      720.592 
      10.78 
      10.78 
      0 
      5 
     
    
      409.175 
      7.68 
      7.68 
      0 
      16 
     
    
      1281.93 
      9.2 
      9.2 
      0 
      4 
     
    
      296.258 
      8.21 
      8.21 
      0 
      23 
     
    
      310.31 
      12.47 
      12.47 
      0 
      17 
     
    
      786.6 
      9.33 
      9.33 
      0 
      5 
      Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC 
      InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      360.227 
      2.14 
      2.14 
      0 
      1 
     
    
      655.418 
      8.08 
      8.08 
      0 
      47 
     
    
      568.457 
      9.19 
      9.19 
      0 
      1 
     
    
      261.012 
      3.07 
      3.07 
      0 
      9 
     
    
      510.356 
      9.49 
      9.49 
      0 
      4 
      Spectral Match to 1-Heptadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      1640.32 
      12.97 
      12.97 
      0 
      31 
     
    
      362.139 
      6.77 
      6.77 
      0 
      43 
     
    
      800.615 
      10.34 
      10.34 
      0 
      5 
      PC(18:2/19:0); [M+H]+ C45H87N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      716.458 
      5.46 
      5.46 
      0 
      11 
      Spectral Match to Erythromycin from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      370.144 
      7.16 
      7.16 
      0 
      14 
     
    
      342.149 
      8.05 
      8.05 
      0 
      8 
     
    
      255.232 
      8.66 
      8.66 
      0 
      17 
      Spectral Match to cis-9-Hexadecenoic acid from NIST14 
      CCCCCC/C=C\\CCCCCCCC(=O)O 
      InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty acids and conjugates 
      Fatty Acids and Conjugates 
      Unsaturated fatty acids 
      Fatty acids 
     
    
      376.154 
      8.66 
      8.66 
      0 
      40 
     
    
      381.299 
      11.1 
      11.1 
      0 
      17 
     
    
      866.535 
      7.46 
      7.46 
      0 
      22 
     
    
      1949.55 
      12.61 
      12.61 
      0 
      52 
     
    
      746.451 
      4.87 
      4.87 
      0 
      11 
     
    
      350.326 
      10.58 
      10.58 
      0 
      12 
     
    
      1681.33 
      12.83 
      12.83 
      0 
      31 
     
    
      713.416 
      7.84 
      7.84 
      0 
      1 
     
    
      546.354 
      9.29 
      9.29 
      0 
      36 
     
    
      518.493 
      12.73 
      12.73 
      0 
      51 
     
    
      324.289 
      9.94 
      9.94 
      0 
      23 
     
    
      428.058 
      6.61 
      6.61 
      0 
      32 
     
    
      392.149 
      6.4 
      6.4 
      0 
      25 
     
    
      780.552 
      12.53 
      12.53 
      0 
      24 
     
    
      346.143 
      8.57 
      8.57 
      0 
      40 
     
    
      326.378 
      11.4 
      11.4 
      0 
      53 
     
    
      1492.13 
      11.31 
      11.31 
      0 
      2 
     
    
      684.432 
      5.26 
      5.26 
      0 
      11 
     
    
      582.234 
      6.71 
      6.71 
      0 
      13 
     
    
      782.57 
      7.39 
      7.39 
      0 
      5 
      Spectral Match to 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 
      CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC 
      InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 
      Lipids and lipid-like molecules 
      Glycerophospholipids 
      Glycerophosphocholines 
      nan 
      nan 
      nan 
     
    
      328.071 
      3.91 
      3.91 
      0 
      33 
     
    
      478.329 
      7.82 
      7.82 
      0 
      22 
     
    
      380.338 
      10.35 
      10.35 
      0 
      12 
     
    
      862.631 
      10.53 
      10.53 
      0 
      5 
     
    
      720.455 
      4.35 
      4.35 
      0 
      11 
     
    
      758.57 
      9.27 
      9.27 
      0 
      5 
      Spectral Match to 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      386.139 
      7.98 
      7.98 
      0 
      14 
     
    
      768.549 
      9.59 
      9.59 
      0 
      4 
      PE(18:0/20:4); [M+H]+ C43H79N1O8P1 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      540.354 
      5.15 
      5.15 
      0 
      11 
     
    
      1644.19 
      10.24 
      10.24 
      0 
      2 
     
    
      789.616 
      11.84 
      11.84 
      0 
      19 
     
    
      1055.3 
      12.93 
      12.93 
      0 
      3 
     
    
      399.31 
      10.51 
      10.51 
      0 
      17 
     
    
      568.218 
      6.03 
      6.03 
      0 
      13 
     
    
      672.417 
      8.27 
      8.27 
      0 
      39 
     
    
      548.229 
      7.25 
      7.25 
      0 
      13 
     
    
      482.324 
      7.78 
      7.78 
      0 
      4 
      Spectral Match to 1-Pentadecanoyl-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      308.294 
      10.58 
      10.58 
      0 
      17 
     
    
      540.426 
      8.46 
      8.46 
      0 
      1 
     
    
      864.519 
      7.4 
      7.4 
      0 
      22 
     
    
      500.483 
      12.64 
      12.64 
      0 
      51 
     
    
      2093.65 
      13.29 
      13.29 
      0 
      38 
     
    
      702.443 
      5.23 
      5.23 
      0 
      11 
     
    
      269.247 
      9.47 
      9.47 
      0 
      17 
     
    
      556.442 
      10.08 
      10.08 
      0 
      12 
     
    
      268.264 
      10.92 
      10.92 
      0 
      17 
     
    
      508.34 
      8.2 
      8.2 
      0 
      4 
     
    
      284.295 
      12.29 
      12.29 
      0 
      46 
      Spectral Match to Octadecanamide from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      514.499 
      14.02 
      14.02 
      0 
      51 
     
    
      713.421 
      8.95 
      8.95 
      0 
      1 
     
    
      360.16 
      7.52 
      7.52 
      0 
      8 
     
    
      566.239 
      7.34 
      7.34 
      0 
      13 
     
    
      1682.33 
      13.11 
      13.11 
      0 
      31 
     
    
      828.349 
      7.8 
      7.8 
      0 
      13 
     
    
      532.233 
      7.62 
      7.62 
      0 
      44 
     
    
      214.18 
      8.08 
      8.08 
      0 
      23 
     
    
      734.468 
      5.0 
      5.0 
      0 
      11 
      (-)-Erythromycin - 40.0 eV 
      CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O 
      InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 
      Organic oxygen compounds 
      Organooxygen compounds 
      Carbohydrates and carbohydrate conjugates 
      Macrolides 
      Erythromycins 
      Polyketides 
     
    
      261.124 
      3.15 
      3.15 
      0 
      9 
     
    
      524.371 
      9.69 
      9.69 
      0 
      4 
      Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      247.242 
      11.39 
      11.39 
      0 
      6 
     
    
      502.223 
      7.34 
      7.34 
      0 
      44 
     
    
      2494.71 
      13.33 
      13.33 
      0 
      3 
     
    
      1620.19 
      10.86 
      10.86 
      0 
      2 
     
    
      888.519 
      6.62 
      6.62 
      0 
      22 
     
    
      552.223 
      6.69 
      6.69 
      0 
      13 
     
    
      705.593 
      12.29 
      12.29 
      0 
      -1 
     
    
      223.064 
      9.17 
      9.17 
      0 
      -1 
     
    
      288.087 
      5.51 
      5.51 
      0 
      -1 
     
    
      325.241 
      8.06 
      8.06 
      0 
      -1 
     
    
      330.191 
      7.29 
      7.29 
      0 
      -1 
     
    
      207.032 
      15.66 
      15.66 
      0 
      -1 
     
    
      267.113 
      3.79 
      3.79 
      0 
      -1 
     
    
      666.604 
      11.95 
      11.95 
      0 
      -1 
     
    
      258.076 
      6.25 
      6.25 
      0 
      -1 
     
    
      281.113 
      2.07 
      2.07 
      0 
      -1 
     
    
      1988.57 
      12.86 
      12.86 
      0 
      -1 
     
    
      493.268 
      9.2 
      9.2 
      0 
      -1 
     
    
      468.309 
      8.55 
      8.55 
      0 
      -1 
     
    
      298.347 
      10.31 
      10.31 
      0 
      -1 
     
    
      376.154 
      9.24 
      9.24 
      0 
      -1 
     
    
      732.453 
      5.73 
      5.73 
      0 
      -1 
     
    
      415.209 
      8.0 
      8.0 
      0 
      -1 
     
    
      536.166 
      4.86 
      4.86 
      0 
      -1 
      Contaminants septum vial Thermo C4000-53 and C4000-54 serie 
        
        
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      738.44 
      5.3 
      5.3 
      0 
      -1 
     
    
      276.108 
      2.08 
      2.08 
      0 
      -1 
     
    
      228.232 
      9.95 
      9.95 
      0 
      -1 
     
    
      205.097 
      2.98 
      2.98 
      0 
      -1 
     
    
      320.113 
      5.77 
      5.77 
      0 
      -1 
     
    
      842.668 
      11.65 
      11.65 
      0 
      -1 
     
    
      223.988 
      9.07 
      9.07 
      0 
      -1 
     
    
      424.212 
      8.4 
      8.4 
      0 
      -1 
     
    
      721.589 
      11.11 
      11.11 
      0 
      -1 
     
    
      272.055 
      4.79 
      4.79 
      0 
      -1 
     
    
      696.266 
      5.41 
      5.41 
      0 
      -1 
     
    
      469.198 
      7.49 
      7.49 
      0 
      -1 
     
    
      416.264 
      8.24 
      8.24 
      0 
      -1 
     
    
      794.602 
      11.6 
      11.6 
      0 
      -1 
     
    
      223.064 
      1.66 
      1.66 
      0 
      -1 
     
    
      363.216 
      5.22 
      5.22 
      0 
      -1 
     
    
      520.509 
      13.94 
      13.94 
      0 
      -1 
     
    
      337.167 
      9.41 
      9.41 
      0 
      -1 
     
    
      223.064 
      5.89 
      5.89 
      0 
      -1 
     
    
      522.212 
      7.0 
      7.0 
      0 
      -1 
     
    
      202.086 
      3.48 
      3.48 
      0 
      -1 
     
    
      251.237 
      9.14 
      9.14 
      0 
      -1 
     
    
      1239.89 
      8.72 
      8.72 
      0 
      -1 
     
    
      345.206 
      6.28 
      6.28 
      0 
      -1 
     
    
      629.25 
      5.06 
      5.06 
      0 
      -1 
     
    
      251.185 
      4.07 
      4.07 
      0 
      -1 
     
    
      355.07 
      15.74 
      15.74 
      0 
      -1 
     
    
      597.28 
      6.57 
      6.57 
      0 
      -1 
     
    
      518.218 
      6.47 
      6.47 
      0 
      -1 
     
    
      208.944 
      0.82 
      0.82 
      0 
      -1 
     
    
      297.083 
      6.85 
      6.85 
      0 
      -1 
     
    
      354.149 
      7.56 
      7.56 
      0 
      -1 
     
    
      500.207 
      6.67 
      6.67 
      0 
      -1 
     
    
      369.264 
      6.96 
      6.96 
      0 
      -1 
     
    
      270.315 
      9.07 
      9.07 
      0 
      -1 
     
    
      862.503 
      6.46 
      6.46 
      0 
      -1 
     
    
      1070.85 
      11.75 
      11.75 
      0 
      -1 
     
    
      245.096 
      1.96 
      1.96 
      0 
      -1 
     
    
      552.366 
      9.69 
      9.69 
      0 
      -1 
     
    
      239.089 
      4.26 
      4.26 
      0 
      -1 
     
    
      301.329 
      10.14 
      10.14 
      0 
      -1 
     
    
      705.593 
      12.56 
      12.56 
      0 
      -1 
     
    
      368.389 
      13.4 
      13.4 
      0 
      -1 
     
    
      515.329 
      12.12 
      12.12 
      0 
      -1 
     
    
      482.405 
      11.16 
      11.16 
      0 
      -1 
     
    
      235.087 
      4.55 
      4.55 
      0 
      -1 
     
    
      1888.48 
      13.35 
      13.35 
      0 
      -1 
     
    
      354.372 
      11.61 
      11.61 
      0 
      -1 
     
    
      848.619 
      10.47 
      10.47 
      0 
      -1 
     
    
      428.147 
      7.79 
      7.79 
      0 
      -1 
     
    
      454.187 
      7.42 
      7.42 
      0 
      -1 
     
    
      243.232 
      14.86 
      14.86 
      0 
      -1 
      pentadecanoic acid 
      CCCCCCCCCCCCCCC(O)=O 
      "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)" 
      Lipids and lipid-like molecules 
      Fatty Acyls 
      Fatty acids and conjugates 
      Fatty Acids and Conjugates 
      Branched fatty acids|Unsaturated fatty acids 
      Fatty acids 
     
    
      211.133 
      6.14 
      6.14 
      0 
      -1 
     
    
      310.238 
      7.96 
      7.96 
      0 
      -1 
     
    
      233.117 
      6.12 
      6.12 
      0 
      -1 
     
    
      337.237 
      5.52 
      5.52 
      0 
      -1 
     
    
      227.07 
      6.17 
      6.17 
      0 
      -1 
     
    
      206.081 
      2.72 
      2.72 
      0 
      -1 
     
    
      777.281 
      10.44 
      10.44 
      0 
      -1 
     
    
      2076.63 
      13.82 
      13.82 
      0 
      -1 
     
    
      358.166 
      3.34 
      3.34 
      0 
      -1 
     
    
      255.076 
      6.96 
      6.96 
      0 
      -1 
     
    
      365.232 
      7.53 
      7.53 
      0 
      -1 
     
    
      301.119 
      3.2 
      3.2 
      0 
      -1 
     
    
      297.083 
      5.18 
      5.18 
      0 
      -1 
     
    
      1786.41 
      11.68 
      11.68 
      0 
      -1 
     
    
      808.585 
      5.99 
      5.99 
      0 
      -1 
     
    
      284.331 
      9.97 
      9.97 
      0 
      -1 
     
    
      452.171 
      7.5 
      7.5 
      0 
      -1 
     
    
      517.394 
      14.03 
      14.03 
      0 
      -1 
     
    
      211.142 
      4.21 
      4.21 
      0 
      -1 
      Massbank:PR311142 Cyclo(leucylprolyl) 
      O=C1NC(C(=O)N2CCCC12)CC(C)C 
      1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) 
      Organic acids and derivatives 
      Carboxylic acids and derivatives 
      Amino acids, peptides, and analogues 
      Small peptides 
      Dipeptides 
      Amino acids and Peptides 
     
    
      276.897 
      3.22 
      3.22 
      0 
      -1 
     
    
      673.416 
      7.13 
      7.13 
      0 
      -1 
     
    
      614.484 
      10.59 
      10.59 
      0 
      -1 
     
    
      256.06 
      6.12 
      6.12 
      0 
      -1 
     
    
      519.139 
      15.69 
      15.69 
      0 
      -1 
     
    
      283.144 
      6.37 
      6.37 
      0 
      -1 
     
    
      600.104 
      10.09 
      10.09 
      0 
      -1 
     
    
      285.17 
      7.06 
      7.06 
      0 
      -1 
     
    
      347.222 
      6.98 
      6.98 
      0 
      -1 
     
    
      454.165 
      6.27 
      6.27 
      0 
      -1 
     
    
      347.222 
      5.87 
      5.87 
      0 
      -1 
     
    
      239.089 
      2.39 
      2.39 
      0 
      -1 
     
    
      706.54 
      10.6 
      10.6 
      0 
      -1 
     
    
      421.281 
      3.95 
      3.95 
      0 
      -1 
     
    
      528.375 
      13.97 
      13.97 
      0 
      -1 
     
    
      284.14 
      2.36 
      2.36 
      0 
      -1 
     
    
      409.256 
      6.19 
      6.19 
      0 
      -1 
     
    
      534.213 
      6.16 
      6.16 
      0 
      -1 
     
    
      270.076 
      6.89 
      6.89 
      0 
      -1 
     
    
      336.123 
      7.31 
      7.31 
      0 
      -1 
     
    
      384.159 
      7.83 
      7.83 
      0 
      -1 
     
    
      251.12 
      4.96 
      4.96 
      0 
      -1 
     
    
      657.245 
      5.4 
      5.4 
      0 
      -1 
     
    
      513.35 
      13.54 
      13.54 
      0 
      -1 
     
    
      1830.44 
      13.06 
      13.06 
      0 
      -1 
     
    
      713.27 
      6.67 
      6.67 
      0 
      -1 
     
    
      300.326 
      9.18 
      9.18 
      0 
      -1 
     
    
      207.073 
      4.89 
      4.89 
      0 
      -1 
     
    
      323.103 
      7.29 
      7.29 
      0 
      -1 
     
    
      279.159 
      7.45 
      7.45 
      0 
      -1 
     
    
      291.22 
      8.12 
      8.12 
      0 
      -1 
     
    
      685.563 
      9.91 
      9.91 
      0 
      -1 
     
    
      452.171 
      8.78 
      8.78 
      0 
      -1 
     
    
      414.191 
      7.34 
      7.34 
      0 
      -1 
     
    
      390.17 
      8.63 
      8.63 
      0 
      -1 
     
    
      235.169 
      15.11 
      15.11 
      0 
      -1 
     
    
      504.306 
      8.19 
      8.19 
      0 
      -1 
     
    
      618.115 
      9.1 
      9.1 
      0 
      -1 
     
    
      214.09 
      13.45 
      13.45 
      0 
      -1 
      MassbankEU:SM878901 N-Butylbenzenesulfonamide 
      CCCCNS(=O)(=O)C1=CC=CC=C1 
      1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 
      Benzenoids 
      Benzene and substituted derivatives 
      Benzenesulfonamides 
      Ornithine alkaloids 
      Polyamines 
      Alkaloids 
     
    
      394.165 
      7.14 
      7.14 
      0 
      -1 
     
    
      548.229 
      7.01 
      7.01 
      0 
      -1 
     
    
      312.327 
      13.73 
      13.73 
      0 
      -1 
     
    
      745.319 
      6.36 
      6.36 
      0 
      -1 
     
    
      694.286 
      7.1 
      7.1 
      0 
      -1 
     
    
      202.086 
      5.42 
      5.42 
      0 
      -1 
     
    
      315.134 
      5.3 
      5.3 
      0 
      -1 
     
    
      297.054 
      2.28 
      2.28 
      0 
      -1 
     
    
      496.421 
      11.4 
      11.4 
      0 
      -1 
     
    
      306.097 
      4.16 
      4.16 
      0 
      -1 
     
    
      236.939 
      5.18 
      5.18 
      0 
      -1 
     
    
      287.889 
      4.63 
      4.63 
      0 
      -1 
     
    
      767.643 
      10.35 
      10.35 
      0 
      -1 
     
    
      281.051 
      8.8 
      8.8 
      0 
      -1 
     
    
      284.092 
      5.01 
      5.01 
      0 
      -1 
     
    
      356.127 
      7.04 
      7.04 
      0 
      -1 
     
    
      257.248 
      14.93 
      14.93 
      0 
      -1 
     
    
      220.097 
      3.37 
      3.37 
      0 
      -1 
     
    
      399.347 
      13.7 
      13.7 
      0 
      -1 
     
    
      245.129 
      4.26 
      4.26 
      0 
      -1 
      Spectral Match to Phe-Pro from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      382.165 
      7.72 
      7.72 
      0 
      -1 
     
    
      251.164 
      6.47 
      6.47 
      0 
      -1 
     
    
      719.574 
      11.58 
      11.58 
      0 
      -1 
     
    
      660.614 
      13.39 
      13.39 
      0 
      -1 
     
    
      268.097 
      5.39 
      5.39 
      0 
      -1 
     
    
      297.133 
      7.17 
      7.17 
      0 
      -1 
     
    
      289.274 
      10.52 
      10.52 
      0 
      -1 
     
    
      526.35 
      9.66 
      9.66 
      0 
      -1 
     
    
      499.334 
      13.31 
      13.31 
      0 
      -1 
     
    
      2038.59 
      13.76 
      13.76 
      0 
      -1 
     
    
      285.123 
      4.0 
      4.0 
      0 
      -1 
     
    
      796.52 
      12.91 
      12.91 
      0 
      -1 
     
    
      739.504 
      13.86 
      13.86 
      0 
      -1 
     
    
      636.557 
      11.51 
      11.51 
      0 
      -1 
     
    
      490.222 
      7.19 
      7.19 
      0 
      -1 
     
    
      1930.53 
      13.58 
      13.58 
      0 
      -1 
     
    
      529.338 
      6.51 
      6.51 
      0 
      -1 
     
    
      833.537 
      4.98 
      4.98 
      0 
      -1 
     
    
      303.883 
      8.26 
      8.26 
      0 
      -1 
     
    
      318.097 
      5.94 
      5.94 
      0 
      -1 
     
    
      2005.6 
      13.88 
      13.88 
      0 
      -1 
     
    
      3107.28 
      11.92 
      11.92 
      0 
      -1 
     
    
      521.206 
      3.93 
      3.93 
      0 
      -1 
     
    
      618.115 
      9.0 
      9.0 
      0 
      -1 
     
    
      1891.49 
      13.47 
      13.47 
      0 
      -1 
     
    
      294.243 
      8.56 
      8.56 
      0 
      -1 
     
    
      321.242 
      7.61 
      7.61 
      0 
      -1 
     
    
      207.159 
      4.36 
      4.36 
      0 
      -1 
     
    
      1892.49 
      12.25 
      12.25 
      0 
      -1 
     
    
      434.436 
      13.5 
      13.5 
      0 
      -1 
     
    
      217.957 
      3.28 
      3.28 
      0 
      -1 
     
    
      741.625 
      10.37 
      10.37 
      0 
      -1 
     
    
      501.111 
      7.13 
      7.13 
      0 
      -1 
     
    
      351.255 
      8.27 
      8.27 
      0 
      -1 
     
    
      452.394 
      11.43 
      11.43 
      0 
      -1 
     
    
      253.998 
      3.95 
      3.95 
      0 
      -1 
     
    
      471.285 
      5.7 
      5.7 
      0 
      -1 
     
    
      518.321 
      9.04 
      9.04 
      0 
      -1 
     
    
      526.432 
      10.88 
      10.88 
      0 
      -1 
     
    
      283.108 
      3.14 
      3.14 
      0 
      -1 
     
    
      506.218 
      7.47 
      7.47 
      0 
      -1 
     
    
      225.102 
      5.65 
      5.65 
      0 
      -1 
     
    
      307.157 
      9.99 
      9.99 
      0 
      -1 
     
    
      378.17 
      8.89 
      8.89 
      0 
      -1 
     
    
      1699.36 
      11.6 
      11.6 
      0 
      -1 
     
    
      512.417 
      10.13 
      10.13 
      0 
      -1 
     
    
      302.102 
      6.44 
      6.44 
      0 
      -1 
     
    
      717.52 
      9.57 
      9.57 
      0 
      -1 
     
    
      903.489 
      8.89 
      8.89 
      0 
      -1 
     
    
      270.279 
      11.06 
      11.06 
      0 
      -1 
     
    
      564.202 
      9.39 
      9.39 
      0 
      -1 
     
    
      223.064 
      6.97 
      6.97 
      0 
      -1 
     
    
      350.139 
      8.63 
      8.63 
      0 
      -1 
     
    
      275.258 
      10.21 
      10.21 
      0 
      -1 
     
    
      277.155 
      3.73 
      3.73 
      0 
      -1 
     
    
      219.138 
      8.77 
      8.77 
      0 
      -1 
     
    
      454.294 
      7.84 
      7.84 
      0 
      -1 
     
    
      2119.58 
      13.41 
      13.41 
      0 
      -1 
     
    
      1540.13 
      8.77 
      8.77 
      0 
      -1 
     
    
      239.15 
      15.08 
      15.08 
      0 
      -1 
     
    
      306.3 
      10.58 
      10.58 
      0 
      -1 
     
    
      425.29 
      7.66 
      7.66 
      0 
      -1 
     
    
      684.269 
      6.23 
      6.23 
      0 
      -1 
     
    
      388.155 
      5.67 
      5.67 
      0 
      -1 
     
    
      570.459 
      10.72 
      10.72 
      0 
      -1 
     
    
      339.253 
      9.58 
      9.58 
      0 
      -1 
     
    
      408.368 
      11.47 
      11.47 
      0 
      -1 
     
    
      1431.91 
      5.48 
      5.48 
      0 
      -1 
     
    
      220.097 
      1.94 
      1.94 
      0 
      -1 
     
    
      211.087 
      6.86 
      6.86 
      0 
      -1 
     
    
      522.343 
      4.84 
      4.84 
      0 
      -1 
     
    
      310.115 
      1.88 
      1.88 
      0 
      -1 
     
    
      1645.2 
      11.03 
      11.03 
      0 
      -1 
     
    
      271.263 
      14.85 
      14.85 
      0 
      -1 
     
    
      265.097 
      4.15 
      4.15 
      0 
      -1 
     
    
      217.108 
      6.71 
      6.71 
      0 
      -1 
     
    
      307.108 
      7.38 
      7.38 
      0 
      -1 
     
    
      796.517 
      5.56 
      5.56 
      0 
      -1 
     
    
      277.216 
      8.56 
      8.56 
      0 
      -1 
      Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      440.17 
      8.32 
      8.32 
      0 
      -1 
     
    
      538.207 
      6.14 
      6.14 
      0 
      -1 
     
    
      1993.56 
      13.28 
      13.28 
      0 
      -1 
     
    
      388.154 
      8.54 
      8.54 
      0 
      -1 
     
    
      345.053 
      4.18 
      4.18 
      0 
      -1 
     
    
      510.213 
      6.52 
      6.52 
      0 
      -1 
     
    
      596.249 
      7.08 
      7.08 
      0 
      -1 
     
    
      404.149 
      8.0 
      8.0 
      0 
      -1 
     
    
      452.206 
      8.65 
      8.65 
      0 
      -1 
     
    
      311.069 
      3.91 
      3.91 
      0 
      -1 
     
    
      354.319 
      9.79 
      9.79 
      0 
      -1 
     
    
      352.095 
      3.91 
      3.91 
      0 
      -1 
     
    
      381.159 
      8.82 
      8.82 
      0 
      -1 
     
    
      203.179 
      5.82 
      5.82 
      0 
      -1 
      1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-ol 
      CC(C)C(CCC(C1CC2)=C)=CC1C2(C)O 
      InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3 
      Lipids and lipid-like molecules 
      Prenol lipids 
      Sesquiterpenoids 
      Sesquiterpenoids 
      Guaiane sesquiterpenoids 
      Terpenoids 
     
    
      232.097 
      5.23 
      5.23 
      0 
      -1 
     
    
      329.211 
      7.27 
      7.27 
      0 
      -1 
     
    
      227.081 
      6.62 
      6.62 
      0 
      -1 
     
    
      1742.39 
      13.39 
      13.39 
      0 
      -1 
     
    
      448.233 
      6.9 
      6.9 
      0 
      -1 
     
    
      2239.74 
      13.34 
      13.34 
      0 
      -1 
     
    
      863.315 
      8.11 
      8.11 
      0 
      -1 
     
    
      532.509 
      13.71 
      13.71 
      0 
      -1 
     
    
      411.035 
      5.58 
      5.58 
      0 
      -1 
     
    
      429.191 
      6.79 
      6.79 
      0 
      -1 
     
    
      286.071 
      6.0 
      6.0 
      0 
      -1 
     
    
      205.195 
      9.64 
      9.64 
      0 
      -1 
      Spectral Match to cis-7,10,13,16-Docosatetraenoic acid from NIST14 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
      nan 
     
    
      2138.68 
      13.65 
      13.65 
      0 
      -1 
     
    
      548.228 
      7.49 
      7.49 
      0 
      -1 
     
    
      856.38 
      9.17 
      9.17 
      0 
      -1 
     
    
      742.544 
      12.53 
      12.53 
      0 
      -1 
     
    
      1742.39 
      12.7 
      12.7 
      0 
      -1 
     
    
      200.098 
      6.18 
      6.18 
      0 
      -1 
     
    
      315.134 
      3.7 
      3.7 
      0 
      -1 
     
    
      588.22 
      7.03 
      7.03 
      0 
      -1 
     
    
      2138.68 
      13.2 
      13.2 
      0 
      -1 
     
    
      293.089 
      4.64 
      4.64 
      0 
      -1 
     
    
      252.109 
      1.68 
      1.68 
      0 
      -1 
      2'-deoxyadenosine CollisionEnergy:102040 
      Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 
      "InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1" 
      Nucleosides, nucleotides, and analogues 
      Purine nucleosides 
      Purine 2'-deoxyribonucleosides 
      Nucleosides 
      Purine nucleos(t)ides 
      Carbohydrates 
     
    
      489.313 
      12.55 
      12.55 
      0 
      -1 
     
    
      410.16 
      6.2 
      6.2 
      0 
      -1 
     
    
      223.052 
      3.99 
      3.99 
      0 
      -1 
     
    
      748.58 
      10.64 
      10.64 
      0 
      -1 
     
    
      888.371 
      8.31 
      8.31 
      0 
      -1 
     
    
      1578.16 
      10.96 
      10.96 
      0 
      -1 
     
    
      573.373 
      13.92 
      13.92 
      0 
      -1 
     
    
      2240.76 
      13.51 
      13.51 
      0 
      -1 
     
    
      391.297 
      5.27 
      5.27 
      0 
      -1 
     
    
      -42.036 
      -42 
      0.9769 
      0 
      2154 
      2143 
      2 
     
    
      -38.01 
      -38 
      0.9823 
      0 
      2154 
      2144 
      2 
     
    
      -24.002 
      -24 
      0.9903 
      0 
      2154 
      2156 
      2 
     
    
      -54.047 
      -54 
      0.9748 
      0 
      2154 
      2140 
      2 
     
    
      -52.03 
      -52 
      0.9959 
      0 
      2154 
      2141 
      2 
     
    
      -28.029 
      -28 
      0.9905 
      0 
      2154 
      2145 
      2 
     
    
      -26.016 
      -26 
      0.9919 
      0 
      2154 
      2146 
      2 
     
    
      -4.028 
      -4 
      0.9763 
      0 
      2154 
      2152 
      2 
     
    
      -2.015 
      -2 
      0.991 
      0 
      2154 
      2153 
      2 
     
    
      -48.002 
      -48 
      0.9849 
      0 
      2154 
      2158 
      2 
     
    
      -1.011 
      -1 
      0.9471 
      0 
      2149 
      2148 
      35 
     
    
      61.148 
      61 
      0.878 
      0 
      2149 
      1899 
      35 
     
    
      -116.063 
      -116 
      0.9892 
      0 
      1813 
      1948 
      5 
     
    
      -64.032 
      -64 
      0.9874 
      0 
      1813 
      1887 
      5 
     
    
      -40.032 
      -40 
      0.9862 
      0 
      1813 
      1863 
      5 
     
    
      -36.002 
      -36 
      0.986 
      0 
      1813 
      1861 
      5 
     
    
      -88.033 
      -88 
      0.9858 
      0 
      1813 
      1912 
      5 
     
    
      -14.015 
      -14 
      0.9893 
      0 
      1813 
      1795 
      5 
     
    
      -0.039 
      0 
      0.9863 
      0 
      1813 
      1814 
      5 
     
    
      -12.002 
      -12 
      0.9872 
      0 
      1813 
      1831 
      5 
     
    
      -54.047 
      -54 
      0.9876 
      0 
      1813 
      1878 
      5 
     
    
      -16.037 
      -16 
      0.9748 
      0 
      2140 
      2144 
      2 
     
    
      -50.013 
      -50 
      0.9666 
      0 
      2140 
      2130 
      2 
     
    
      -25.008 
      -25 
      0.9772 
      0 
      2140 
      2133 
      2 
     
    
      -50.019 
      -50 
      0.9739 
      0 
      2140 
      2152 
      2 
     
    
      -2.017 
      -2 
      0.9899 
      0 
      2140 
      2141 
      2 
     
    
      -26.018 
      -26 
      0.9841 
      0 
      2140 
      2145 
      2 
     
    
      -52.032 
      -52 
      0.9818 
      0 
      2140 
      2153 
      2 
     
    
      -28.031 
      -28 
      0.9855 
      0 
      2140 
      2146 
      2 
     
    
      -13.979 
      -13 
      0.8765 
      0 
      1370 
      1319 
      4 
     
    
      -18.011 
      -18 
      0.7172 
      0 
      772 
      849 
      18 
     
    
      -220.13 
      -220 
      0.746 
      0 
      978 
      1616 
      12 
     
    
      -132.078 
      -132 
      0.796 
      0 
      978 
      1424 
      12 
     
    
      -47.038 
      -47 
      0.701 
      0 
      978 
      809 
      12 
     
    
      -44.026 
      -44 
      0.8541 
      0 
      978 
      823 
      12 
     
    
      -30.011 
      -30 
      0.7363 
      0 
      978 
      882 
      12 
     
    
      -14.015 
      -14 
      0.8522 
      0 
      978 
      1022 
      12 
     
    
      -160.108 
      -160 
      0.743 
      0 
      978 
      1506 
      12 
     
    
      -66.05 
      -66 
      0.98 
      0 
      2144 
      2130 
      2 
     
    
      -28.023 
      -28 
      0.9743 
      0 
      2144 
      2136 
      2 
     
    
      -14.02 
      -14 
      0.9841 
      0 
      2144 
      2141 
      2 
     
    
      -9.981 
      -9 
      0.9795 
      0 
      2144 
      2145 
      2 
     
    
      -11.994 
      -11 
      0.9806 
      0 
      2144 
      2146 
      2 
     
    
      -24.001 
      -24 
      0.9783 
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      17 
     
    
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      0 
      1934 
      1858 
      24 
     
    
      -76.029 
      -76 
      0.8641 
      0 
      1934 
      1856 
      24 
     
    
      -52.035 
      -52 
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      0 
      1890 
      1836 
      19 
     
    
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      0.824 
      0 
      973 
      872 
      25 
     
    
      -52.03 
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      0.9898 
      0 
      1887 
      1831 
      5 
     
    
      -28.03 
      -28 
      0.9924 
      0 
      1887 
      1861 
      5 
     
    
      -24.0 
      -24 
      0.9954 
      0 
      1887 
      1863 
      5 
     
    
      -9.985 
      -9 
      0.9912 
      0 
      1887 
      1878 
      5 
     
    
      -2.015 
      -2 
      0.9918 
      0 
      1887 
      1888 
      5 
     
    
      -24.001 
      -24 
      0.9928 
      0 
      1887 
      1912 
      5 
     
    
      -164.241 
      -164 
      0.7338 
      0 
      1439 
      898 
      17 
     
    
      -27.996 
      -27 
      0.7237 
      0 
      720 
      598 
      33 
     
    
      -24.002 
      -24 
      0.9657 
      0 
      2132 
      2130 
      2 
     
    
      -1.003 
      -1 
      0.9594 
      0 
      2132 
      2133 
      2 
     
    
      -52.029 
      -52 
      0.9786 
      0 
      2132 
      2145 
      2 
     
    
      -46.005 
      -46 
      0.8381 
      0 
      647 
      437 
      17 
     
    
      -30.995 
      -30 
      0.7091 
      0 
      647 
      511 
      17 
     
    
      -42.01 
      -42 
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      0 
      647 
      833 
      17 
     
    
      -60.021 
      -60 
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      0 
      647 
      898 
      17 
     
    
      -28.03 
      -28 
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      0 
      1506 
      1424 
      12 
     
    
      -190.119 
      -190 
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      882 
      12 
     
    
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      -146 
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      0 
      1506 
      1022 
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      -14.016 
      -14 
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      0 
      1716 
      1679 
      39 
     
    
      -2.016 
      -2 
      0.755 
      0 
      46 
      53 
      23 
     
    
      -66.083 
      -66 
      0.8564 
      0 
      367 
      53 
      23 
     
    
      -2.015 
      -2 
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      0 
      367 
      359 
      23 
     
    
      -15.995 
      -15 
      0.7718 
      0 
      367 
      450 
      23 
     
    
      -44.026 
      -44 
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      0 
      367 
      588 
      23 
     
    
      -14.016 
      -14 
      0.8567 
      0 
      75 
      135 
      26 
     
    
      -28.03 
      -28 
      0.986 
      0 
      1912 
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      5 
     
    
      -48.001 
      -48 
      0.9889 
      0 
      1912 
      1863 
      5 
     
    
      -52.031 
      -52 
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      0 
      1912 
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      5 
     
    
      -76.031 
      -76 
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      0 
      1912 
      1831 
      5 
     
    
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      -25 
      0.7788 
      0 
      437 
      299 
      17 
     
    
      -15.01 
      -15 
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      0 
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      511 
      17 
     
    
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      0 
      437 
      527 
      17 
     
    
      -88.015 
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      0 
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      0 
      437 
      898 
      17 
     
    
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      23 
     
    
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      588 
      23 
     
    
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      5 
     
    
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      1374 
      11 
     
    
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      11 
     
    
      -14.016 
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      0 
      1601 
      1631 
      30 
     
    
      -14.016 
      -14 
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      0 
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      1776 
      11 
     
    
      -190.12 
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      1374 
      11 
     
    
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      0 
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      0 
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      11 
     
    
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      1819 
      11 
     
    
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      2 
     
    
      -76.027 
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      1839 
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      0 
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      1771 
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      -14.016 
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      0 
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      947 
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      -17.026 
      -17 
      0.9549 
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      12 
     
    
      -44.026 
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      0 
      618 
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      12 
     
    
      -47.038 
      -47 
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      0 
      618 
      823 
      12 
     
    
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      0 
      618 
      1022 
      12 
     
    
      -104.031 
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      0.9751 
      0 
      1904 
      1782 
      5 
     
    
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      -70 
      0.8246 
      0 
      643 
      299 
      17 
     
    
      -27.025 
      -27 
      0.9805 
      0 
      2133 
      2141 
      2 
     
    
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      -28 
      0.8588 
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      480 
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      1 
     
    
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      -76 
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      2156 
      2 
     
    
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      -52 
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      0 
      2141 
      2130 
      2 
     
    
      -50.015 
      -50 
      0.9878 
      0 
      2141 
      2153 
      2 
     
    
      -130.064 
      -130 
      0.7008 
      0 
      2026 
      1907 
      13 
     
    
      -406.19 
      -406 
      0.7018 
      0 
      2026 
      1407 
      13 
     
    
      -36.022 
      -36 
      0.7322 
      0 
      689 
      849 
      18 
     
    
      -14.016 
      -14 
      0.9556 
      0 
      541 
      593 
      53 
     
    
      307.235 
      307 
      0.7657 
      0 
      1981 
      1744 
      38 
     
    
      -1.003 
      -1 
      0.9332 
      0 
      1836 
      1835 
      19 
     
    
      -26.018 
      -26 
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      1836 
      1865 
      19 
     
    
      -26.019 
      -26 
      0.9727 
      0 
      2155 
      2158 
      2 
     
    
      -44.007 
      -44 
      0.8709 
      0 
      1833 
      1776 
      11 
     
    
      -40.01 
      -40 
      0.7171 
      0 
      1833 
      1781 
      11 
     
    
      -25.997 
      -25 
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      0 
      1833 
      1796 
      11 
     
    
      -28.031 
      -28 
      0.9654 
      0 
      2108 
      2112 
      4 
     
    
      -31.99 
      -31 
      0.8806 
      0 
      1819 
      1776 
      11 
     
    
      -208.094 
      -208 
      0.9042 
      0 
      1819 
      1374 
      11 
     
    
      -27.993 
      -27 
      0.8572 
      0 
      1819 
      1781 
      11 
     
    
      -13.98 
      -13 
      0.8488 
      0 
      1819 
      1796 
      11 
     
    
      -38.011 
      -38 
      0.9698 
      0 
      2150 
      2156 
      2 
     
    
      -44.015 
      -44 
      0.7068 
      0 
      557 
      740 
      1 
     
    
      -100.016 
      -100 
      0.8123 
      0 
      557 
      947 
      1 
     
    
      -15.995 
      -15 
      0.767 
      0 
      729 
      656 
      8 
     
    
      -27.021 
      -27 
      0.9863 
      0 
      1835 
      1865 
      19 
     
    
      358.158 
      358 
      0.7518 
      0 
      1254 
      1001 
      22 
     
    
      -28.032 
      -28 
      0.9729 
      0 
      1254 
      1181 
      22 
     
    
      -26.015 
      -26 
      0.996 
      0 
      1888 
      1863 
      5 
     
    
      -15.995 
      -15 
      0.8114 
      0 
      1609 
      1640 
      47 
     
    
      297.193 
      297 
      0.7416 
      0 
      947 
      724 
      1 
     
    
      -124.198 
      -124 
      0.8551 
      0 
      947 
      1376 
      1 
     
    
      -152.229 
      -152 
      0.7944 
      0 
      947 
      1454 
      1 
     
    
      -56.001 
      -56 
      0.7205 
      0 
      947 
      740 
      1 
     
    
      -26.017 
      -26 
      0.987 
      0 
      2153 
      2156 
      2 
     
    
      -50.017 
      -50 
      0.9771 
      0 
      2153 
      2158 
      2 
     
    
      -19.968 
      -19 
      0.991 
      0 
      1897 
      1878 
      5 
     
    
      0.0 
      0 
      0.8216 
      0 
      1858 
      1856 
      24 
     
    
      -28.031 
      -28 
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      0 
      1484 
      1407 
      13 
     
    
      -14.015 
      -14 
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      0 
      1484 
      1448 
      13 
     
    
      -27.0 
      -27 
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      0 
      809 
      696 
      12 
     
    
      -17.027 
      -17 
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      0 
      809 
      882 
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      -3.012 
      -3 
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      0 
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      -61.053 
      -61 
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      0 
      809 
      1022 
      12 
     
    
      -88.053 
      -88 
      0.8302 
      0 
      1022 
      696 
      12 
     
    
      -118.063 
      -118 
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      0 
      1022 
      1424 
      12 
     
    
      -44.026 
      -44 
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      0 
      1022 
      882 
      12 
     
    
      -58.041 
      -58 
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      0 
      1022 
      823 
      12 
     
    
      -44.027 
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      882 
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      12 
     
    
      -162.089 
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      882 
      1424 
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      -14.015 
      -14 
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      -28.031 
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      -55.078 
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      -42.046 
      -42 
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      0 
      527 
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      17 
     
    
      -89.0 
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      527 
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      17 
     
    
      -28.03 
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      1863 
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      5 
     
    
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      5 
     
    
      -28.031 
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      1454 
      1376 
      1 
     
    
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      0.8174 
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      264 
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      9 
     
    
      -14.015 
      -14 
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      1265 
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      -3.997 
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      -18.01 
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      243 
      303 
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      -73.005 
      -73 
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      1004 
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      22 
     
    
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      31 
     
    
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      -18 
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      1260 
      1319 
      4 
     
    
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      -30.01 
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      0 
      1337 
      1242 
      44 
     
   
 
                                                                                                                                                                                     nf_output/networking/clustersummary_with_network.tsv                                                0000644 0000000 0000000 00000213657 14572074603 022455  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   cluster index	number of spectra	parent mass	precursor charge	precursor mass	sum(precursor intensity)	RTMean	component	SpectrumID	#Scan#	SpectrumFile	LibraryName	MQScore	TIC_Query	RT_Query	MZErrorPPM	SharedPeaks	MassDiff	SpecMZ	SpecCharge	FileScanUniqueID	NumberHits	Compound_Name	Ion_Source	Instrument	Compound_Source	PI	Data_Collector	Adduct	Precursor_MZ	ExactMass	Charge	CAS_Number	Pubmed_ID	Smiles	INCHI	INCHI_AUX	Library_Class	IonMode	Organism	LibMZ	UpdateWorkflowName	LibraryQualityString	tags	molecular_formula	InChIKey	InChIKey-Planar	superclass	class	subclass	npclassifier_superclass	npclassifier_class	npclassifier_pathway
1	2	200.098	1	200.098	1342610.0	6.17945	-1																																													
2	2	200.164	1	200.164	886442.0	7.812875	23																																													
8	2	202.086	1	202.086	1611100.0	5.422058333333333	-1																																													
9	2	202.086	1	202.086	1283770.0	3.477733333333333	-1																																													
17	3	203.179	1	203.179	2886840.0	5.818833333333333	-1	CCMSLIB00005725033	17.0	specs_ms.mgf	GNPS-LIBRARY.mgf	0.757302	2444.21	0.0	0.0	6.0	0.0	203.179	1.0	temp/specs_ms.mgf17	1.0	1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-ol	ESI	Orbitrap	Isolated	Wolfender	Luis Quiros-Guerrero	M-H2O+H	203.179	220.183	1.0			CC(C)C(CCC(C1CC2)=C)=CC1C2(C)O	InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3		1.0	Positive	GNPS-LIBRARY	203.179	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C15H24O	BUPJOLXWQXEJSQ-UHFFFAOYSA-N	BUPJOLXWQXEJSQ	Lipids and lipid-like molecules	Prenol lipids	Sesquiterpenoids	Sesquiterpenoids	Guaiane sesquiterpenoids	Terpenoids
22	2	205.097	1	205.097	1658320.0	2.98495	-1																																													
25	4	205.195	1	205.195	12510900.0	9.63645	-1	CCMSLIB00003137194	25.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.812919	3187.69	0.0	0.0	6.0	0.0	205.195	1.0	temp/specs_ms.mgf25	1.0	Spectral Match to cis-7,10,13,16-Docosatetraenoic acid from NIST14	ESI	IT/ion trap	Isolated	Data from Katrina Waters;Yoshihiro Kawaoka;Richard Smith;Thomas Metz;Ralph Baric	Data deposited by alchemistmatt	205.2	205.195	0.0	1.0	28874580					3.0	Positive	GNPS-NIST14-MATCHES	205.195	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
27	4	206.081	1	206.081	3559210.0	2.7198	-1																																													
29	3	207.032	1	207.032	1561760.0	15.663394444444444	-1																																													
30	2	207.073	1	207.073	2539180.0	4.891824999999999	-1																																													
31	11	207.159	1	207.159	8632600.0	4.361145454545454	-1																																													
36	3	208.944	1	208.944	1539620.0	0.8184238333333332	-1																																													
42	7	211.087	1	211.087	115252000.0	6.8555738095238095	-1																																													
43	11	211.142	1	211.142	133008000.0	4.210752878787879	-1	CCMSLIB00005739084	43.0	specs_ms.mgf	MASSBANK.mgf	0.852844	10358.7	0.0	9.46701	6.0	0.0019989	211.142	1.0	temp/specs_ms.mgf43	1.0	Massbank:PR311142 Cyclo(leucylprolyl)	ESI	qTof	Isolated	Massbank	Massbank	M+H	211.144	0.0	1.0			O=C1NC(C(=O)N2CCCC12)CC(C)C	1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)		3.0	Positive	MASSBANK	211.144	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C11H18N2O2	SZJNCZMRZAUNQT-UHFFFAOYSA-N	SZJNCZMRZAUNQT	Organic acids and derivatives	Carboxylic acids and derivatives	Amino acids, peptides, and analogues	Small peptides	Dipeptides	Amino acids and Peptides
44	2	211.133	1	211.133	5312600.0	6.14375	-1																																													
46	2	212.164	1	212.164	7222910.0	7.708258333333333	23																																													
51	13	214.09	1	214.09	8437770.0	13.45238205128205	-1	CCMSLIB00000842040	51.0	specs_ms.mgf	MASSBANKEU.mgf	0.852799	12967.9	0.0	0.0	7.0	0.0	214.09	1.0	temp/specs_ms.mgf51	1.0	MassbankEU:SM878901 N-Butylbenzenesulfonamide	ESI	LC-ESI-QFT	Isolated	Massbank EU	Massbank	[M+H]+	214.09	0.0	1.0	3622-84-2		CCCCNS(=O)(=O)C1=CC=CC=C1	1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3		3.0	Positive	MASSBANKEU	214.09	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C10H15NO2S	IPRJXAGUEGOFGG-UHFFFAOYSA-N	IPRJXAGUEGOFGG	Benzenoids	Benzene and substituted derivatives	Benzenesulfonamides	Ornithine alkaloids	Polyamines	Alkaloids
53	2	214.18	1	214.18	3946690.0	8.08445	23																																													
61	52	217.108	1	217.108	62461000.0	6.713375592948718	-1																																													
62	4	217.957	1	217.957	9354610.0	3.284095833333333	-1																																													
67	2	219.138	1	219.138	1727400.0	8.767425	-1																																													
69	2	220.097	1	220.097	1681590.0	3.369458333333333	-1																																													
71	2	220.097	1	220.097	2083090.0	1.9428758333333327	-1																																													
75	3	221.117	1	221.117	10605100.0	7.009144444444444	26																																													
79	2	223.052	1	223.052	3286340.0	3.985975	-1																																													
80	9	223.064	1	223.064	17793600.0	6.972271666666667	-1																																													
81	4	223.064	1	223.064	4593520.0	9.1660875	-1																																													
83	2	223.064	1	223.064	1990410.0	5.890133333333333	-1																																													
90	2	223.064	1	223.064	2552280.0	1.6584266666666667	-1																																													
93	2	223.988	1	223.988	1724750.0	9.069891666666669	-1																																													
94	2	225.102	1	225.102	10278200.0	5.6492	-1																																													
100	2	227.07	1	227.07	6659370.0	6.167941666666667	-1																																													
103	2	227.081	1	227.081	7866320.0	6.617275	-1																																													
109	2	228.232	1	228.232	3336180.0	9.945775	-1																																													
119	2	230.175	1	230.175	4294080.0	7.788625	23																																													
123	2	232.097	1	232.097	1922340.0	5.226641666666667	-1																																													
126	2	233.117	1	233.117	7503180.0	6.121425	-1																																													
134	3	235.087	1	235.087	4421170.0	4.5533	-1																																													
135	4	235.133	1	235.133	15399800.0	5.952454166666667	26																																													
136	5	235.169	1	235.169	2573390.0	15.113433333333331	-1																																													
142	19	236.939	1	236.939	14397500.0	5.181060815789474	-1																																													
156	8	239.089	1	239.089	6866710.0	2.3927458333333336	-1																																													
157	2	239.089	1	239.089	1907830.0	4.255208333333333	-1																																													
164	3	239.15	1	239.15	1348030.0	15.080705555555555	-1																																													
182	6	243.232	1	243.232	2910070.0	14.857669444444443	-1	CCMSLIB00006581635	182.0	specs_ms.mgf	GNPS-SCIEX-LIBRARY.mgf	0.86015	5591.72	0.0	0.0	6.0	0.0	243.232	1.0	temp/specs_ms.mgf182	1.0	pentadecanoic acid	LC-ESI	qTof	Commercial	Michael Witting	Michael Witting	[M+H]+	243.232	242.225	1.0			CCCCCCCCCCCCCCC(O)=O	"""InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)"""	WQEPLUUGTLDZJY-UHFFFAOYSA-N	1.0	Positive	GNPS-SCIEX-LIBRARY	243.232	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C15H30O2	WQEPLUUGTLDZJY-UHFFFAOYSA-N	WQEPLUUGTLDZJY	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Fatty Acids and Conjugates	Branched fatty acids|Unsaturated fatty acids	Fatty acids
192	3	245.096	1	245.096	4452420.0	1.9558	-1																																													
194	3	245.129	1	245.129	5592910.0	4.256505555555555	-1	CCMSLIB00003137749	194.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.930114	2936.84	0.0	0.0	6.0	0.0	245.129	1.0	temp/specs_ms.mgf194	1.0	Spectral Match to Phe-Pro from NIST14	ESI	Q-TOF	Isolated	Data from Pieter Dorrestein	Data deposited by lfnothias	M+H-H2O	245.129	0.0	1.0						3.0	Positive	GNPS-NIST14-MATCHES	245.129	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
196	4	245.226	1	245.226	2975100.0	9.878954166666666	6																																													
204	2	247.242	1	247.242	3954170.0	11.387425	6																																													
220	3	251.12	1	251.12	2931880.0	4.963938888888889	-1																																													
222	3	251.164	1	251.164	3411430.0	6.466788888888889	-1																																													
223	2	251.185	1	251.185	1066980.0	4.067441666666667	-1																																													
224	2	251.237	1	251.237	1570880.0	9.144391666666667	-1																																													
227	2	252.109	1	252.109	2376110.0	1.6770908333333332	-1	CCMSLIB00010103132	227.0	specs_ms.mgf	BERKELEY-LAB.mgf	0.979457	1982.01	0.0	0.0	6.0	0.0	252.109	1.0	temp/specs_ms.mgf227	1.0	2'-deoxyadenosine CollisionEnergy:102040	LC-ESI	Orbitrap	Commercial	Trent Northen	JGI	M+H	252.109	0.0	1.0			Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	"""InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1"""		3.0	Positive	BERKELEY-LAB	252.109	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C10H13N5O3	OLXZPDWKRNYJJZ-RRKCRQDMSA-N	OLXZPDWKRNYJJZ	Nucleosides, nucleotides, and analogues	Purine nucleosides	Purine 2'-deoxyribonucleosides	Nucleosides	Purine nucleos(t)ides	Carbohydrates
234	2	253.998	1	253.998	1525280.0	3.946075	-1																																													
237	2	254.211	1	254.211	2123230.0	8.446116666666667	23																																													
238	2	254.248	1	254.248	11620200.0	10.35455	17																																													
239	2	255.076	1	255.076	5808550.0	6.9615833333333335	-1																																													
243	2	255.232	1	255.232	2770010.0	8.659133333333333	17	CCMSLIB00003136526	243.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.915859	1828.78	0.0	0.0	9.0	0.0	255.232	1.0	temp/specs_ms.mgf243	1.0	Spectral Match to cis-9-Hexadecenoic acid from NIST14	ESI	qTof	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	255.232	254.225	1.0	373499		CCCCCC/C=C\CCCCCCCC(=O)O	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-		3.0	Positive	GNPS-NIST14-MATCHES	255.232	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C16H30O2	SECPZKHBENQXJG-FPLPWBNLSA-N	SECPZKHBENQXJG	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Fatty Acids and Conjugates	Unsaturated fatty acids	Fatty acids
244	8	256.06	1	256.06	9812500.0	6.120114583333334	-1																																													
246	2	256.263	1	256.263	9457310.0	11.188016666666666	46	CCMSLIB00003137100	246.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.971838	1992.1	0.0	0.0	10.0	0.0	256.263	1.0	temp/specs_ms.mgf246	1.0	Spectral Match to Palmitamide from NIST14	ESI	qTof	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	256.263	255.256	1.0	629549		CCCCCCCCCCCCCCCC(=O)N	InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)		3.0	Positive	GNPS-NIST14-MATCHES	256.263	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C16H33NO	HSEMFIZWXHQJAE-UHFFFAOYSA-N	HSEMFIZWXHQJAE	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	Fatty amides	Primary amides	Fatty acids
252	5	257.248	1	257.248	2111200.0	14.930273333333332	-1																																													
254	3	258.076	1	258.076	2421500.0	6.249522222222223	-1																																													
264	4	261.012	1	261.012	3355040.0	3.070945833333333	9																																													
268	4	261.124	1	261.124	7471900.0	3.1453208333333333	9																																													
275	8	263.237	1	263.237	11165700.0	9.6259125	23																																													
281	3	265.097	1	265.097	9102750.0	4.152044444444445	-1																																													
284	5	265.252	1	265.252	13748500.0	10.887893333333334	17	CCMSLIB00003139895	284.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.815455	4790.69	0.0	0.0	8.0	0.0	265.252	1.0	temp/specs_ms.mgf284	1.0	Spectral Match to 9-Octadecenamide, (Z)- from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H-NH3	265.252	0.0	1.0	301020					3.0	Positive	GNPS-NIST14-MATCHES	265.252	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
291	5	267.113	1	267.113	11241000.0	3.790483333333333	-1																																													
297	2	268.097	1	268.097	4749380.0	5.385383333333333	-1																																													
299	2	268.264	1	268.264	1659170.0	10.915475	17																																													
303	2	269.247	1	269.247	3376610.0	9.465616666666666	17																																													
305	9	270.076	1	270.076	24563700.0	6.888527777777778	-1																																													
309	2	270.279	1	270.279	1385980.0	11.057825	-1																																													
310	3	270.315	1	270.315	3526470.0	9.072566666666669	-1																																													
316	4	271.263	1	271.263	1488370.0	14.848616666666668	-1																																													
317	4	272.055	1	272.055	4732290.0	4.791195833333334	-1																																													
328	3	272.186	1	272.186	2287990.0	2.785757777777778	1																																													
339	2	275.258	1	275.258	1599200.0	10.214608333333333	-1																																													
344	3	276.108	1	276.108	1891370.0	2.0774	-1																																													
346	2	276.897	1	276.897	1153030.0	3.2211175	-1																																													
353	2	277.155	1	277.155	1736930.0	3.7313583333333336	-1																																													
355	2	277.216	1	277.216	3033330.0	8.555483333333333	-1	CCMSLIB00003137023	355.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.866895	1782.05	0.0	0.0	7.0	0.0	277.216	1.0	temp/specs_ms.mgf355	1.0	Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H-H2O	277.216	0.0	1.0	54739309					3.0	Positive	GNPS-NIST14-MATCHES	277.216	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
359	5	278.248	1	278.248	7235780.0	8.882706666666667	23																																													
362	2	279.159	1	279.159	1212630.0	7.453191666666667	-1																																													
364	3	279.232	1	279.232	5741600.0	9.02175	23	CCMSLIB00005722215	364.0	specs_ms.mgf	GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf	0.724453	2579.91	0.0	3.60659	7.0	0.00100708	279.232	1.0	temp/specs_ms.mgf364	1.0	NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]	LC-ESI	Orbitrap	Commercial	Pieter Dorrestein	lfnothias/robinschmid	[M-2H2O+H]+	279.233	314.246	1.0			CCCCCCCCC1OC1C(O)CCCCCCC(O)=O	InChI=1S/C18H34O4/c1-2-3-4-5-6-10-13-16-18(22-16)15(19)12-9-7-8-11-14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21)		3.0	Positive	GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE	279.233	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C18H34O4	GQEOLYBERRZZCE-UHFFFAOYSA-N	GQEOLYBERRZZCE	Lipids and lipid-like molecules	Fatty Acyls	Lineolic acids and derivatives	Octadecanoids	Other Octadecanoids	Fatty acids
367	11	280.263	1	280.263	101584000.0	9.499616666666666	23																																													
369	18	281.051	1	281.051	12026300.0	8.798134259259259	-1																																													
371	2	281.113	1	281.113	2375750.0	2.068791666666667	-1																																													
376	9	282.279	1	282.279	131359000.0	11.678198148148148	17	CCMSLIB00003134517	376.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.79133	8380.0	0.0	0.0	7.0	0.0	282.279	1.0	temp/specs_ms.mgf376	1.0	Spectral Match to 9-Octadecenamide, (Z)- from NIST14	ESI	QQQ	Isolated	Data from Piel	Data deposited by eriche	M+H	282.279	281.272	1.0	301020		CCCCCCCC/C=C\CCCCCCCC(=O)N	InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-		3.0	Positive	GNPS-NIST14-MATCHES	282.279	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C18H35NO	FATBGEAMYMYZAF-KTKRTIGZSA-N	FATBGEAMYMYZAF	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	Fatty amides	Primary amides	Fatty acids
380	3	283.108	1	283.108	4114890.0	3.139733333333333	-1																																													
382	2	283.144	1	283.144	12185900.0	6.374425	-1																																													
386	2	284.092	1	284.092	4805240.0	5.012716666666666	-1																																													
388	2	284.14	1	284.14	5590660.0	2.356769166666667	-1																																													
389	3	284.295	1	284.295	29778900.0	12.288916666666664	46	CCMSLIB00003139498	389.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.925303	2804.86	0.0	17.4969	7.0	0.00497437	284.295	1.0	temp/specs_ms.mgf389	1.0	Spectral Match to Octadecanamide from NIST14	ESI	QqQ	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	284.3	0.0	1.0	124265					3.0	Positive	GNPS-NIST14-MATCHES	284.3	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
390	16	284.331	1	284.331	25713600.0	9.971376041666666	-1																																													
394	7	285.123	1	285.123	14473800.0	3.9958976190476174	-1																																													
398	2	285.17	1	285.17	3921450.0	7.058925	-1																																													
399	4	286.071	1	286.071	13452400.0	6.003854166666667	-1																																													
405	4	287.889	1	287.889	3085780.0	4.633754166666666	-1																																													
406	4	288.087	1	288.087	6280790.0	5.506083333333333	-1																																													
414	4	289.274	1	289.274	7112960.0	10.516541666666669	-1																																													
425	2	291.22	1	291.22	1520370.0	8.124083333333333	-1																																													
432	3	293.089	1	293.089	2055930.0	4.638244444444445	-1																																													
437	2	293.284	1	293.284	1345430.0	12.414808333333331	17																																													
442	2	294.243	1	294.243	4428910.0	8.187466666666667	6																																													
443	2	294.243	1	294.243	10312000.0	8.557925000000001	-1																																													
450	4	296.258	1	296.258	45433700.0	8.210229166666666	23																																													
451	2	297.054	1	297.054	1747190.0	2.2844541666666665	-1																																													
453	29	297.083	1	297.083	31006400.0	6.8458792241379305	-1																																													
461	2	297.083	1	297.083	989009.0	5.175633333333333	-1																																													
464	3	297.133	1	297.133	13967200.0	7.166627777777777	-1																																													
469	25	298.347	1	298.347	103144000.0	10.307048	-1																																													
480	3	300.217	1	300.217	12311100.0	2.457526111111111	1																																													
481	2	300.326	1	300.326	9162770.0	9.180316666666666	-1																																													
484	6	301.119	1	301.119	15256100.0	3.204677777777778	-1																																													
487	8	301.329	1	301.329	27133000.0	10.141708333333334	-1																																													
490	4	302.102	1	302.102	6907580.0	6.4371625	-1																																													
491	2	302.196	1	302.196	3098730.0	1.9023266666666667	1																																													
495	7	303.883	1	303.883	7218230.0	8.259695238095238	-1																																													
501	2	306.097	1	306.097	1603900.0	4.155358333333334	-1																																													
503	4	306.3	1	306.3	5459000.0	10.584916666666668	-1																																													
505	3	307.108	1	307.108	5256420.0	7.384672222222222	-1																																													
507	4	307.157	1	307.157	2888390.0	9.9896125	-1																																													
511	2	308.294	1	308.294	1689620.0	10.577875	17																																													
521	2	310.115	1	310.115	915669.0	1.877881666666667	-1																																													
526	2	310.238	1	310.238	2296210.0	7.956733333333332	-1																																													
527	3	310.31	1	310.31	27471400.0	12.474766666666667	17																																													
528	2	311.069	1	311.069	1899910.0	3.905575	-1																																													
540	2	312.327	1	312.327	1357220.0	13.725208333333336	-1																																													
541	26	312.362	1	312.362	36093300.0	11.16418205128205	53																																													
550	2	315.134	1	315.134	1150130.0	3.7012416666666654	-1																																													
551	3	315.134	1	315.134	1899110.0	5.304294444444444	-1																																													
557	9	316.212	1	316.212	45932500.0	2.249410925925926	1																																													
562	2	318.097	1	318.097	2133810.0	5.944708333333333	-1																																													
571	2	319.284	1	319.284	1427670.0	10.137666666666666	12																																													
573	5	320.113	1	320.113	5823130.0	5.773563333333334	-1																																													
582	2	321.242	1	321.242	1500170.0	7.609041666666667	-1																																													
585	7	323.103	1	323.103	230336000.0	7.287533333333334	-1																																													
588	2	324.289	1	324.289	3221210.0	9.938358333333332	23																																													
590	3	325.241	1	325.241	4587290.0	8.056	-1																																													
593	29	326.378	1	326.378	30126500.0	11.39892183908046	53																																													
598	2	328.071	1	328.071	1971030.0	3.912075	33																																													
603	4	329.211	1	329.211	9488770.0	7.268195833333333	-1																																													
609	2	330.191	1	330.191	3882920.0	7.288608333333332	-1																																													
618	6	333.3	1	333.3	24938700.0	10.487508333333333	12																																													
630	2	336.123	1	336.123	7452260.0	7.306158333333334	-1																																													
635	6	337.167	1	337.167	4114140.0	9.405463888888889	-1																																													
636	3	337.237	1	337.237	1888160.0	5.515188888888889	-1																																													
643	2	338.342	1	338.342	694816.0	13.6412	17	CCMSLIB00003134511	643.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.828902	1896.89	0.0	2.97652	6.0	0.00100708	338.342	1.0	temp/specs_ms.mgf643	1.0	Spectral Match to 13-Docosenamide, (Z)- from NIST14	ESI	QQQ	Isolated	Data from Piel	Data deposited by eriche	M+H	338.341	337.335	1.0	112845		CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N	InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-		3.0	Positive	GNPS-NIST14-MATCHES	338.341	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C22H43NO	UAUDZVJPLUQNMU-KTKRTIGZSA-N	UAUDZVJPLUQNMU	Lipids and lipid-like molecules	Fatty Acyls	Fatty amides	Fatty amides	Primary amides	Fatty acids
646	3	339.253	1	339.253	5768550.0	9.579416666666669	-1																																													
647	2	339.289	1	339.289	4244960.0	10.917891666666666	17	CCMSLIB00003139914	647.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.977828	1987.02	0.0	2.9682	11.0	0.00100708	339.289	1.0	temp/specs_ms.mgf647	1.0	Spectral Match to Monoelaidin from NIST14	ESI	qTof	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H-H2O	339.29	356.293	1.0	2716532		CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+		3.0	Positive	GNPS-NIST14-MATCHES	339.29	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C21H40O4	RZRNAYUHWVFMIP-MDZDMXLPSA-N	RZRNAYUHWVFMIP	Lipids and lipid-like molecules	Glycerolipids	Monoradylglycerols	Glycerolipids	Monoacylglycerols	Fatty acids
650	9	340.357	1	340.357	12353700.0	9.604433333333333	45																																													
651	9	340.393	1	340.393	9341630.0	10.608546296296296	45																																													
656	2	342.149	1	342.149	3977050.0	8.048766666666666	8																																													
663	4	685.563	2	343.281	1962700.0	9.906520833333332	-1																																													
667	2	345.053	1	345.053	3137940.0	4.183308333333333	-1																																													
669	3	345.206	1	345.206	3316090.0	6.284400000000001	-1																																													
671	3	346.143	1	346.143	19434200.0	8.568194444444444	40																																													
675	2	346.223	1	346.223	1467370.0	1.959458333333333	1																																													
679	2	347.222	1	347.222	2811170.0	6.982675	-1																																													
681	2	347.222	1	347.222	1899330.0	5.867533333333333	-1																																													
689	3	349.237	1	349.237	3408130.0	7.037344444444444	18																																													
693	3	350.139	1	350.139	56632500.0	8.634733333333331	-1																																													
696	7	350.326	1	350.326	25290600.0	10.580707142857143	12																																													
698	5	351.255	1	351.255	3833090.0	8.271546666666667	-1																																													
699	2	352.095	1	352.095	1626650.0	3.905575	-1																																													
707	3	705.593	2	353.296	1687610.0	12.286433333333331	-1																																													
709	2	354.149	1	354.149	4314990.0	7.559083333333334	-1																																													
711	3	354.319	1	354.319	2028470.0	9.785183333333332	-1																																													
712	4	354.372	1	354.372	4089040.0	11.612279166666667	-1																																													
713	4	355.07	1	355.07	1296590.0	15.745	-1																																													
720	2	356.067	1	356.067	2550290.0	3.937058333333333	33																																													
721	6	356.127	1	356.127	21757900.0	7.0385333333333335	-1																																													
724	5	713.421	2	357.21	2238490.0	8.94913	1																																													
729	4	358.144	1	358.144	47834200.0	7.590541666666667	8																																													
731	2	358.166	1	358.166	703287.0	3.344091666666667	-1																																													
739	2	360.16	1	360.16	2618910.0	7.51505	8																																													
740	2	360.227	1	360.227	1856990.0	2.1430141666666667	1																																													
748	3	362.139	1	362.139	9949650.0	6.769572222222223	43																																													
753	2	363.216	1	363.216	1405680.0	5.218391666666667	-1																																													
762	3	365.232	1	365.232	8921750.0	7.529294444444445	-1																																													
763	2	365.232	1	365.232	7476640.0	6.801166666666667	10																																													
772	8	367.248	1	367.248	13171300.0	7.1456333333333335	18																																													
774	2	368.389	1	368.389	1264930.0	13.396591666666666	-1																																													
780	2	369.264	1	369.264	9245130.0	6.958583333333333	-1																																													
783	3	370.144	1	370.144	6820900.0	7.160072222222222	14																																													
786	13	371.101	1	371.101	9064910.0	14.106498717948718	7	CCMSLIB00011427902	786.0	specs_ms.mgf	LEAFBOT.mgf	0.908153	12763.2	0.0	2.71377	6.0	0.00100708	371.101	1.0	temp/specs_ms.mgf786	1.0	CAMPTOTHECIN	ESI	Orbitrap	Commercial	Cech	Vicky Anderson	M+Na	371.1	348.111	1.0	2114454		CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	"""InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3"""		1.0	Positive	LEAFBOT	371.1	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C20H16N2O4	VSJKWCGYPAHWDS-UHFFFAOYSA-N	VSJKWCGYPAHWDS				Tryptophan alkaloids	Pyrroloquinoline alkaloids	Alkaloids
791	5	741.625	2	371.312	2305180.0	10.365996666666666	-1																																													
799	18	374.138	1	374.138	440629000.0	6.898402777777778	8																																													
801	5	376.154	1	376.154	88112600.0	8.659693333333333	40																																													
802	3	376.154	1	376.154	89341700.0	9.236511111111112	-1																																													
809	5	377.326	1	377.326	8032020.0	10.533786666666668	12																																													
813	2	378.17	1	378.17	2445560.0	8.893616666666667	-1																																													
823	2	380.338	1	380.338	1321830.0	10.34825	12																																													
826	2	381.159	1	381.159	2465130.0	8.819666666666667	-1																																													
833	3	381.299	1	381.299	9999720.0	11.097283333333332	17																																													
835	4	382.165	1	382.165	10855900.0	7.719670833333334	-1																																													
840	5	383.243	1	383.243	14940000.0	7.29801	10																																													
843	2	384.159	1	384.159	11417700.0	7.828975	-1																																													
845	3	767.643	2	384.321	1258250.0	10.348261111111112	-1																																													
849	5	385.259	1	385.259	7715290.0	6.622536666666667	18																																													
851	3	386.139	1	386.139	10005800.0	7.976538888888889	14																																													
858	11	388.154	1	388.154	371502000.0	9.566712121212122	8																																													
859	2	388.154	1	388.154	23019900.0	8.536116666666665	-1																																													
860	2	388.155	1	388.155	3043180.0	5.670674999999999	-1																																													
865	8	390.134	1	390.134	26966300.0	6.408735416666667	8																																													
868	6	390.17	1	390.17	567270000.0	8.627344444444445	-1																																													
871	2	391.297	1	391.297	1458550.0	5.267049999999999	-1																																													
872	6	392.149	1	392.149	36813300.0	6.402186111111111	25																																													
876	2	393.153	1	393.153	20277300.0	6.327075	25																																													
879	6	394.165	1	394.165	93241000.0	7.135919444444444	-1																																													
882	7	394.353	1	394.353	13657900.0	10.530714285714286	12																																													
893	2	796.517	2	398.758	989771.0	5.563483333333333	-1																																													
898	2	399.31	1	399.31	5004230.0	10.514125	17																																													
899	3	399.347	1	399.347	2230380.0	13.704122222222225	-1																																													
902	2	400.269	1	400.269	110623000.0	8.193033333333334	10																																													
909	2	402.285	1	402.285	20003800.0	7.462025000000001	18																																													
913	10	404.149	1	404.149	68748000.0	7.995181666666667	-1																																													
918	25	812.489	2	406.744	101858000.0	7.124243333333334	22																																													
920	5	814.489	2	407.744	6321120.0	10.146796666666669	22																																													
922	2	408.368	1	408.368	830874.0	11.470083333333331	-1																																													
924	2	409.175	1	409.175	20679900.0	7.683075	16																																													
925	2	409.256	1	409.256	5005420.0	6.1945250000000005	-1																																													
929	2	410.16	1	410.16	3260270.0	6.203725	-1																																													
932	2	411.035	1	411.035	3677910.0	5.581125	-1																																													
940	2	414.191	1	414.191	5566080.0	7.344808333333333	-1																																													
944	6	415.209	1	415.209	13719600.0	8.000894444444445	-1																																													
947	3	416.228	1	416.228	2795900.0	2.5901816666666666	1																																													
948	2	416.264	1	416.264	16171500.0	8.238	-1																																													
955	15	836.489	2	418.744	38134800.0	7.396238888888889	22																																													
959	23	420.18	1	420.18	126139000.0	11.34845652173913	8																																													
962	6	840.521	2	420.76	20201700.0	6.667997222222223	22																																													
963	2	421.281	1	421.281	679385.0	3.948975	-1																																													
965	4	422.16	1	422.16	30471300.0	7.128720833333333	8																																													
968	2	423.191	1	423.191	41170400.0	8.966291666666667	16																																													
973	3	424.176	1	424.176	22728200.0	6.994577777777778	25																																													
976	3	424.212	1	424.212	3154170.0	8.404411111111111	-1																																													
978	2	424.364	1	424.364	1877540.0	10.269425	12																																													
980	2	425.29	1	425.29	16659700.0	7.658275	-1																																													
985	4	428.058	1	428.058	7578330.0	6.6110125	32																																													
988	2	428.147	1	428.147	14942600.0	7.793825	-1																																													
993	4	429.191	1	429.191	6850270.0	6.787883333333333	-1																																													
995	7	430.244	1	430.244	24648600.0	3.255888333333333	1																																													
998	3	862.503	2	431.751	2418060.0	6.464644444444445	-1																																													
1001	8	864.519	2	432.759	11810800.0	7.403285416666667	22																																													
1004	7	866.535	2	433.767	9935080.0	7.463457142857143	22																																													
1008	4	434.436	1	434.436	3704610.0	13.504416666666668	-1																																													
1012	9	436.175	1	436.175	103306000.0	8.036437037037038	8																																													
1013	2	436.175	1	436.175	5973390.0	6.961166666666667	43																																													
1021	2	438.191	1	438.191	6073450.0	8.28435	25																																													
1022	5	438.379	1	438.379	4414220.0	10.673416666666666	12																																													
1025	2	440.17	1	440.17	19325900.0	8.318908333333333	-1																																													
1026	3	440.171	1	440.171	11695300.0	6.143622222222223	8																																													
1043	8	888.519	2	444.759	9289470.0	6.61566875	22																																													
1046	11	445.12	1	445.12	5112890.0	14.724204545454546	7																																													
1055	4	448.233	1	448.233	4968680.0	6.897966666666666	-1																																													
1068	2	451.222	1	451.222	4806540.0	7.790625	13																																													
1069	2	452.171	1	452.171	3481560.0	7.497391666666667	-1																																													
1070	2	452.171	1	452.171	5568040.0	8.783416666666668	-1																																													
1071	2	452.206	1	452.206	18600300.0	8.650858333333334	-1																																													
1074	2	452.394	1	452.394	1324400.0	11.426775	-1																																													
1083	3	454.165	1	454.165	6826330.0	6.2697666666666665	-1																																													
1084	2	454.187	1	454.187	4140500.0	7.421908333333333	-1																																													
1085	2	454.294	1	454.294	6540070.0	7.836991666666666	-1																																													
1111	5	460.255	1	460.255	2199130.0	3.026413333333333	1																																													
1138	2	468.309	1	468.309	8260480.0	8.052341666666667	4																																													
1139	3	468.309	1	468.309	9559040.0	8.551427777777777	-1																																													
1146	2	469.198	1	469.198	2373920.0	7.490766666666667	-1																																													
1153	5	471.285	1	471.285	82669000.0	5.69732	-1																																													
1158	2	472.175	1	472.175	8401210.0	8.618033333333333	8																																													
1181	29	478.329	1	478.329	36712600.0	7.819616091954023	22																																													
1191	6	482.324	1	482.324	138512000.0	8.786897222222223	4																																													
1192	2	482.324	1	482.324	14837700.0	7.77565	4	CCMSLIB00003138155	1192.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.929561	1987.37	0.0	6.20069	8.0	0.00299072	482.324	1.0	temp/specs_ms.mgf1192	1.0	Spectral Match to 1-Pentadecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Piel	Data deposited by eriche	M+H	482.321	0.0	1.0	108273898					3.0	Positive	GNPS-NIST14-MATCHES	482.321	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1193	6	482.405	1	482.405	3448010.0	11.162216666666666	-1																																													
1206	2	487.095	1	487.095	4944980.0	7.1358	32																																													
1213	2	489.313	1	489.313	1644270.0	12.552875	-1																																													
1215	3	490.222	1	490.222	3046040.0	7.189033333333334	-1																																													
1222	3	493.268	1	493.268	4075320.0	9.197222222222225	-1																																													
1227	11	496.34	1	496.34	311003000.0	9.1842	4																																													
1228	3	496.421	1	496.421	1259640.0	11.404538888888888	-1																																													
1231	2	499.334	1	499.334	3182250.0	13.3067	-1																																													
1232	2	500.207	1	500.207	3686540.0	6.674066666666667	-1																																													
1234	7	500.483	1	500.483	7249310.0	12.63765238095238	51																																													
1235	2	501.111	1	501.111	5076610.0	7.130658333333333	-1																																													
1242	3	502.223	1	502.223	5244390.0	7.343433333333333	44																																													
1249	2	504.306	1	504.306	5611640.0	8.186016666666667	-1																																													
1252	4	506.218	1	506.218	12712700.0	7.468258333333333	-1																																													
1254	17	506.361	1	506.361	10826900.0	8.348800980392157	22																																													
1260	2	508.34	1	508.34	6314160.0	8.203033333333334	4																																													
1263	2	510.213	1	510.213	3727530.0	6.515441666666667	-1																																													
1265	10	510.356	1	510.356	296966000.0	9.489418333333331	4	CCMSLIB00003134769	1265.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.726763	9721.71	0.0	0.0	9.0	0.0	510.356	1.0	temp/specs_ms.mgf1265	1.0	Spectral Match to 1-Heptadecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	510.356	0.0	1.0	50930239					3.0	Positive	GNPS-NIST14-MATCHES	510.356	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1270	2	512.417	1	512.417	1848800.0	10.131616666666666	-1																																													
1271	2	513.35	1	513.35	1765140.0	13.536775	-1																																													
1275	2	514.499	1	514.499	1090170.0	14.017241666666669	51																																													
1278	2	515.329	1	515.329	2323180.0	12.124033333333331	-1																																													
1288	2	517.394	1	517.394	1388310.0	14.029983333333334	-1																																													
1291	2	518.218	1	518.218	2961310.0	6.46765	-1																																													
1292	2	518.321	1	518.321	2501540.0	9.039758333333332	-1																																													
1295	10	518.493	1	518.493	38959000.0	12.733393333333334	51																																													
1298	2	519.139	1	519.139	654162.0	15.686175	-1																																													
1300	4	520.197	1	520.197	18907200.0	6.504154166666667	13																																													
1304	2	520.509	1	520.509	16277300.0	13.9431	-1																																													
1305	2	521.206	1	521.206	1970150.0	3.934816666666667	-1																																													
1307	3	522.212	1	522.212	8856260.0	7.001105555555555	-1																																													
1312	2	522.343	1	522.343	1118820.0	4.8428	-1																																													
1313	2	522.355	1	522.355	3346070.0	8.574575	4	CCMSLIB00003138526	1313.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.949017	2000.0	0.0	9.58129	7.0	0.00500488	522.355	1.0	temp/specs_ms.mgf1313	1.0	Spectral Match to 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	522.36	0.0	1.0	19420565					3.0	Positive	GNPS-NIST14-MATCHES	522.36	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1319	7	524.371	1	524.371	71300000.0	9.693202380952382	4	CCMSLIB00003139075	1319.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.896324	6722.38	0.0	7.56586	8.0	0.00396729	524.371	1.0	temp/specs_ms.mgf1319	1.0	Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Wolfender/Litaudon	Data deposited by pmallard	M+H	524.367	0.0	1.0	19420576					3.0	Positive	GNPS-NIST14-MATCHES	524.367	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1322	2	526.35	1	526.35	28037400.0	9.657008333333334	-1																																													
1323	4	526.432	1	526.432	2074860.0	10.883329166666666	-1																																													
1327	3	528.375	1	528.375	6000680.0	13.968694444444443	-1																																													
1330	3	529.338	1	529.338	2879540.0	6.505205555555556	-1																																													
1337	3	532.233	1	532.233	89167900.0	7.621188888888889	44																																													
1339	2	532.338	1	532.338	5572370.0	8.847375	36																																													
1342	4	532.509	1	532.509	4992450.0	13.706708333333331	-1																																													
1348	2	534.213	1	534.213	1847270.0	6.156433333333334	-1																																													
1357	13	536.166	1	536.166	5510950.0	4.857261794871794	-1	CCMSLIB00005436264	1357.0	specs_ms.mgf	GNPS-LIBRARY.mgf	0.763425	12262.4	0.0	1.93522	6.0	0.0010376	536.166	1.0	temp/specs_ms.mgf1357	1.0	Contaminants septum vial Thermo C4000-53 and C4000-54 serie	LC-ESI	Orbitrap	Crude	Dorrestein	lfnothias	M+H	536.165	0.0	0.0	 	 	 	 	 	3.0	Positive	GNPS-LIBRARY	536.165	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1361	4	536.228	1	536.228	23677600.0	7.464066666666667	13																																													
1369	7	538.207	1	538.207	31626600.0	6.136142857142857	-1																																													
1370	2	538.35	1	538.35	3508610.0	9.4551	4																																													
1371	2	538.388	1	538.388	3934350.0	10.08205	4																																													
1374	4	540.354	1	540.354	2633530.0	5.148791666666667	11																																													
1376	2	540.426	1	540.426	19041600.0	8.460525	1																																													
1381	3	544.349	1	544.349	1183690.0	5.218516666666667	11																																													
1386	2	546.249	1	546.249	17031500.0	8.157900000000001	44																																													
1387	2	546.354	1	546.354	3526570.0	9.289891666666666	36																																													
1392	2	548.229	1	548.229	2094620.0	7.005883333333333	-1																																													
1393	2	548.228	1	548.228	3820300.0	7.490783333333333	-1																																													
1394	2	548.229	1	548.229	10033200.0	7.252750000000001	13																																													
1407	8	552.223	1	552.223	47246600.0	6.688106250000001	13																																													
1412	3	552.366	1	552.366	3847050.0	9.694322222222224	-1																																													
1417	2	554.239	1	554.239	7083700.0	7.191041666666667	13																																													
1424	2	556.442	1	556.442	1488840.0	10.075475	12																																													
1430	6	558.364	1	558.364	43428300.0	5.0973194444444445	11																																													
1439	2	563.551	1	563.551	29693700.0	11.398375	17	CCMSLIB00003137784	1439.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.844297	1956.06	0.0	1.73287	11.0	0.000976562	563.551	1.0	temp/specs_ms.mgf1439	1.0	Spectral Match to 9-Octadecenamide, (Z)- from NIST14	ESI	QqQ	Isolated	Data from Pieter Dorrestein	Data deposited by daniel	2M+H	563.552	0.0	1.0	301020					3.0	Positive	GNPS-NIST14-MATCHES	563.552	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1440	3	564.202	1	564.202	10763400.0	9.385072222222222	-1																																													
1448	7	566.239	1	566.239	92834600.0	7.339883333333333	13																																													
1453	6	568.218	1	568.218	13406800.0	6.029102777777777	13																																													
1454	2	568.457	1	568.457	10787700.0	9.194683333333334	1																																													
1462	3	570.459	1	570.459	1344810.0	10.71877777777778	-1																																													
1467	2	573.373	1	573.373	1827780.0	13.919275	-1																																													
1477	2	576.374	1	576.374	2086320.0	4.235291666666667	11																																													
1484	2	580.254	1	580.254	75248300.0	7.843866666666667	13																																													
1487	5	582.234	1	582.234	7043930.0	6.7102900000000005	13																																													
1506	2	584.472	1	584.472	1687210.0	11.277349999999998	12																																													
1511	3	588.22	1	588.22	8263970.0	7.026161111111111	-1																																													
1525	4	595.257	1	595.257	7478640.0	8.594054166666666	15																																													
1531	2	596.249	1	596.249	6871590.0	7.082208333333333	-1																																													
1535	2	597.28	1	597.28	3739060.0	6.568875	-1																																													
1537	21	600.104	1	600.104	19245600.0	10.093830952380952	-1																																													
1559	2	609.273	1	609.273	3167420.0	8.836591666666667	15																																													
1566	2	614.484	1	614.484	1084540.0	10.587425	-1																																													
1573	3	618.115	1	618.115	1483410.0	9.103311111111111	-1																																													
1575	2	618.115	1	618.115	879215.0	9.000041666666666	-1																																													
1586	2	623.288	1	623.288	1035250.0	9.325491666666666	15																																													
1592	2	629.25	1	629.25	1228920.0	5.058891666666667	-1																																													
1593	5	1891.49	3	631.163	4564120.0	13.470203333333334	-1																																													
1594	2	1892.49	3	631.495	947165.0	12.249858333333334	-1																																													
1601	2	636.281	1	636.281	2268130.0	6.072591666666666	30																																													
1605	3	636.557	1	636.557	1493160.0	11.513361111111111	-1																																													
1609	2	639.423	1	639.423	16254700.0	8.858374999999999	47																																													
1616	2	644.494	1	644.494	744910.0	9.964266666666669	12																																													
1630	4	1948.56	3	650.185	13779900.0	13.738829166666669	52																																													
1631	2	650.297	1	650.297	4107890.0	6.525433333333334	30																																													
1632	3	1949.55	3	650.516	6400080.0	12.608905555555555	52																																													
1634	2	652.275	1	652.275	2371090.0	5.825308333333333	20																																													
1640	2	655.418	1	655.418	3377270.0	8.078816666666667	47																																													
1642	2	657.245	1	657.245	2010850.0	5.399091666666667	-1																																													
1653	7	660.614	1	660.614	6531530.0	13.391880952380951	-1																																													
1662	3	1993.56	3	665.185	5858690.0	13.280388888888888	-1																																													
1668	2	666.293	1	666.293	3520770.0	6.334866666666667	20																																													
1669	2	666.604	1	666.604	843479.0	11.954716666666666	-1																																													
1675	3	2005.6	3	669.199	3290270.0	13.87656111111111	-1																																													
1679	2	672.417	1	672.417	9369740.0	8.272158333333334	39																																													
1682	2	673.416	1	673.416	4220660.0	7.129808333333333	-1																																													
1691	3	2038.59	3	680.195	3010450.0	13.75805	-1																																													
1702	2	682.25	1	682.25	44061300.0	5.973208333333333	13																																													
1713	2	684.269	1	684.269	4144990.0	6.227808333333334	-1																																													
1714	2	684.432	1	684.432	1218340.0	5.257825	11																																													
1716	2	686.433	1	686.433	6996520.0	8.72325	39																																													
1723	7	692.522	1	692.522	2487150.0	10.459776190476193	4																																													
1734	3	694.286	1	694.286	6408110.0	7.103327777777778	-1																																													
1736	2	696.265	1	696.265	4764110.0	6.344849999999999	13																																													
1737	2	696.266	1	696.266	828267.0	5.414508333333334	-1																																													
1742	3	698.448	1	698.448	2100720.0	5.544427777777777	11																																													
1744	8	2093.65	3	698.549	15821600.0	13.286791666666666	38																																													
1751	6	702.443	1	702.443	9554700.0	5.226233333333333	11																																													
1753	29	703.575	1	703.575	73203200.0	8.583022413793103	5																																													
1757	5	705.593	1	705.593	4694910.0	12.56235	-1																																													
1760	2	706.54	1	706.54	849144.0	10.603066666666669	-1																																													
1770	2	713.27	1	713.27	4022480.0	6.6742	-1																																													
1771	5	713.416	1	713.416	3592590.0	7.840593333333333	1																																													
1772	3	2138.68	3	713.559	3065890.0	13.647333333333334	-1																																													
1773	2	2138.68	3	713.56	1845530.0	13.204683333333334	-1																																													
1776	10	716.458	1	716.458	967104000.0	5.458508333333333	11	CCMSLIB00003137289	1776.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.849976	9941.94	0.0	1.36304	13.0	0.000976562	716.458	1.0	temp/specs_ms.mgf1776	1.0	Spectral Match to Erythromycin from NIST14	ESI	HCD	Isolated	Data from System Wide MS course 	Data deposited by daniel	M+H-H2O	716.459	0.0	1.0	114078					3.0	Positive	GNPS-NIST14-MATCHES	716.459	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1778	2	717.52	1	717.52	3330270.0	9.573816666666668	-1																																													
1779	4	719.574	1	719.574	5320640.0	11.577358333333333	-1																																													
1781	2	720.455	1	720.455	1539770.0	4.354491666666666	11																																													
1782	18	720.592	1	720.592	23295100.0	10.777441666666668	5																																													
1783	2	721.589	1	721.589	3450340.0	11.106616666666667	-1																																													
1790	2	730.474	1	730.474	2760700.0	5.5075666666666665	11																																													
1792	2	732.453	1	732.453	10278900.0	5.726566666666667	-1																																													
1795	12	732.553	1	732.553	69553700.0	10.182244444444445	5	CCMSLIB00003136587	1795.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.976271	11964.7	0.0	0.0	8.0	0.0	732.553	1.0	temp/specs_ms.mgf1795	1.0	Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	732.553	0.0	1.0	95896563					3.0	Positive	GNPS-NIST14-MATCHES	732.553	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1796	7	734.468	1	734.468	199096000.0	5.002328571428572	11	CCMSLIB00006117162	1796.0	specs_ms.mgf	BIRMINGHAM-UHPLC-MS-POS.mgf	0.88187	6895.62	0.0	1.32962	7.0	0.000976562	734.468	1.0	temp/specs_ms.mgf1796	1.0	(-)-Erythromycin - 40.0 eV	ESI	Orbitrap	Isolated	PI	Data Collector	M+H	734.469	0.0	1.0			CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1		1.0	Positive	BIRMINGHAM-UHPLC-MS-POS	734.469	UPDATE-SINGLE-ANNOTATED-GOLD	Gold		C37H67NO13	ULGZDMOVFRHVEP-RWJQBGPGSA-N	ULGZDMOVFRHVEP	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Macrolides	Erythromycins	Polyketides
1797	31	734.569	1	734.569	108116000.0	10.447755913978494	5	CCMSLIB00003136108	1797.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.963007	30840.2	0.0	1.32944	7.0	0.000976562	734.569	1.0	temp/specs_ms.mgf1797	1.0	Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	734.568	0.0	1.0	20664022					3.0	Positive	GNPS-NIST14-MATCHES	734.568	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1801	3	738.44	1	738.44	5184300.0	5.303611111111111	-1																																													
1803	4	739.504	1	739.504	1882660.0	13.857695833333333	-1																																													
1806	6	742.456	1	742.456	16898700.0	6.185113888888889	11																																													
1807	2	742.544	1	742.544	848955.0	12.532291666666666	-1																																													
1809	2	745.319	1	745.319	3342360.0	6.356566666666667	-1																																													
1811	2	746.451	1	746.451	1522340.0	4.866091666666667	11																																													
1813	7	746.568	1	746.568	8548800.0	9.70117619047619	5	CCMSLIB00003137838	1813.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.970896	6944.59	0.0	8.01186	7.0	0.00598145	746.568	1.0	temp/specs_ms.mgf1813	1.0	Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	746.574	0.0	1.0	95403342					3.0	Positive	GNPS-NIST14-MATCHES	746.574	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1814	18	746.607	1	746.607	18402700.0	10.975703703703704	5	CCMSLIB00003134771	1814.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.963442	17901.9	0.0	25.4249	6.0	0.0189819	746.607	1.0	temp/specs_ms.mgf1814	1.0	Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	746.588	745.599	1.0	95403342		CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/b22-20-/t41-/m1/s1		3.0	Positive	GNPS-NIST14-MATCHES	746.588	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze			SIEDNCDNGMIKST-IYEJTHTFSA-N	SIEDNCDNGMIKST	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			
1815	2	2239.74	3	747.248	1390070.0	13.340825	-1																																													
1817	4	2240.76	3	747.585	3061230.0	13.513575	-1																																													
1819	2	748.448	1	748.448	25662300.0	4.538625	11																																													
1820	3	748.485	1	748.485	5281160.0	5.132650000000001	11	CCMSLIB00000207364	1820.0	specs_ms.mgf	MASSBANK.mgf	0.907132	2982.25	0.0	1.30472	6.0	0.000976562	748.485	1.0	temp/specs_ms.mgf1820	1.0	Massbank:EA019109 Clarithromycin|6-O-Methylerythromycin|(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-	ESI	LC-ESI-ITFT	Isolated	Putative Massbank Match	Massbank	[M+H]+	748.484	0.0	1.0	81103-11-9		CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1		3.0	Positive	MASSBANK	748.484	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		C38H69NO13	AGOYDEPGAOXOCK-AVDMLEEESA-N	AGOYDEPGAOXOCK	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	Macrolides	Erythromycins	Polyketides
1821	2	748.58	1	748.58	2719740.0	10.635308333333334	-1																																													
1830	2	756.553	1	756.553	1531620.0	12.53465	24	CCMSLIB00003135408	1830.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.709311	1967.28	0.0	0.0	7.0	0.0	756.553	1.0	temp/specs_ms.mgf1830	1.0	Spectral Match to 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Chris Turck	Data deposited by fevargas	M+Na	756.553	0.0	1.0	63898					3.0	Positive	GNPS-NIST14-MATCHES	756.553	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1831	55	758.57	1	758.57	3877040000.0	9.268809090909093	5	CCMSLIB00003140150	1831.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.971015	54983.6	0.0	3.9426	6.0	0.00299072	758.57	1.0	temp/specs_ms.mgf1831	1.0	Spectral Match to 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine from NIST14	ESI	Q-TOF	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	758.567	0.0	1.0	130614061					3.0	Positive	GNPS-NIST14-MATCHES	758.567	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1833	3	760.465	1	760.465	190893000.0	5.236483333333333	11																																													
1835	2	762.595	1	762.595	35663600.0	10.923658333333332	19	CCMSLIB00010084506	1835.0	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.889384	1998.16	0.0	7.92352	7.0	0.00604248	762.595	1.0	temp/specs_ms.mgf1835	1.0	PC(16:0/18:0); [M+H]+ C42H85N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	762.601	0.0	1.0						1.0	Positive	PNNL-LIPIDS-POSITIVE	762.601	UPDATE-SINGLE-ANNOTATED-GOLD	Gold										
1836	2	763.598	1	763.598	8924840.0	12.4003	19																																													
1839	28	768.549	1	768.549	51940500.0	9.591193452380953	4	CCMSLIB00010088655	1839.0	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.747798	26119.1	0.0	6.51208	9.0	0.00500488	768.549	1.0	temp/specs_ms.mgf1839	1.0	PE(18:0/20:4); [M+H]+ C43H79N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	768.554	0.0	1.0						1.0	Positive	PNNL-LIPIDS-POSITIVE	768.554	UPDATE-SINGLE-ANNOTATED-GOLD	Gold										
1840	5	1538.1	2	769.55	6025980.0	12.645043333333334	35																																													
1844	43	772.583	1	772.583	102837000.0	10.115231395348838	5	CCMSLIB00003134571	1844.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.967694	42902.5	0.0	3.87105	7.0	0.00299072	772.583	1.0	temp/specs_ms.mgf1844	1.0	Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+H	772.586	771.614	1.0	799268636		CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1		3.0	Positive	GNPS-NIST14-MATCHES	772.586	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze			DSWOVBIRJNAJAF-NVJOKYTBSA-N	DSWOVBIRJNAJAF	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			
1852	2	777.281	1	777.281	2905410.0	10.4425	-1																																													
1856	15	780.552	1	780.552	184412000.0	12.52808	24																																													
1858	2	780.552	1	780.552	3737350.0	13.697483333333334	24																																													
1861	33	782.57	1	782.57	619233000.0	7.392126262626263	5	CCMSLIB00003138952	1861.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.948579	32982.2	0.0	2.57378	9.0	0.00201416	782.57	1.0	temp/specs_ms.mgf1861	1.0	Spectral Match to 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Gabriel Haddad	Data deposited by mjmeehan	M+Na	782.568	759.578	1.0	26853316		CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1		3.0	Positive	GNPS-NIST14-MATCHES	782.568	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze			WTJKGGKOPKCXLL-VYOBOKEXSA-N	WTJKGGKOPKCXLL	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			
1863	54	786.6	1	786.6	2061520000.0	9.330505864197532	5	CCMSLIB00003135444	1863.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.972342	53975.5	0.0	3.8021	6.0	0.00299072	786.6	1.0	temp/specs_ms.mgf1863	1.0	Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14	ESI	qTof	Isolated	Data from Pieter Dorrestein	Data deposited by daniel	M+H	786.597	785.594	1.0	27098244		CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1		3.0	Positive	GNPS-NIST14-MATCHES	786.597	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze			FORFDCPQKJHEBF-VPUSDGANSA-N	FORFDCPQKJHEBF	Lipids and lipid-like molecules	Glycerophospholipids	Glycerophosphocholines			
1865	3	789.616	1	789.616	70661000.0	11.843022222222222	19																																													
1869	12	792.553	1	792.553	9971670.0	7.146593055555556	4																																													
1871	2	794.602	1	794.602	1294350.0	11.595225	-1																																													
1874	2	796.52	1	796.52	2900540.0	12.910991666666668	-1																																													
1875	24	796.586	1	796.586	52237300.0	11.192198611111111	5	CCMSLIB00010064819	1875.0	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.878044	23930.0	0.0	0.0	6.0	0.0	796.586	1.0	temp/specs_ms.mgf1875	1.0	PC(17:0/20:4); [M+H]+ C45H83N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	796.586	0.0	1.0						1.0	Positive	PNNL-LIPIDS-POSITIVE	796.586	UPDATE-SINGLE-ANNOTATED-GOLD	Gold										
1878	43	800.615	1	800.615	116097000.0	10.342756201550388	5	CCMSLIB00010090977	1878.0	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.879997	42940.9	0.0	2.51576	6.0	0.00201416	800.615	1.0	temp/specs_ms.mgf1878	1.0	PC(18:2/19:0); [M+H]+ C45H87N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	800.617	0.0	1.0						1.0	Positive	PNNL-LIPIDS-POSITIVE	800.617	UPDATE-SINGLE-ANNOTATED-GOLD	Gold										
1885	7	808.585	1	808.585	13519000.0	5.991038095238095	-1																																													
1887	43	810.6	1	810.6	1232600000.0	10.219394186046513	5	CCMSLIB00003138207	1887.0	specs_ms.mgf	GNPS-NIST14-MATCHES.mgf	0.959301	42883.3	0.0	0.0	10.0	0.0	810.6	1.0	temp/specs_ms.mgf1887	1.0	Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14	ESI	HCD	Isolated	Data from Kevin Bush	Data deposited by fevargas	M+H	810.6	0.0	1.0	35418598					3.0	Positive	GNPS-NIST14-MATCHES	810.6	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze										
1888	11	812.615	1	812.615	42766100.0	6.386169696969697	5	CCMSLIB00010085793	1888.0	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.898718	10947.9	0.0	2.47861	6.0	0.00201416	812.615	1.0	temp/specs_ms.mgf1888	1.0	PC(18:0/20:3); [M+H]+ C46H87N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	812.617	0.0	1.0						1.0	Positive	PNNL-LIPIDS-POSITIVE	812.617	UPDATE-SINGLE-ANNOTATED-GOLD	Gold										
1890	2	815.633	1	815.633	3086400.0	13.121391666666668	19																																													
1897	13	820.583	1	820.583	25971500.0	10.315010256410256	5																																													
1898	13	1640.32	2	820.66	57524700.0	12.973870512820511	31																																													
1899	3	1641.31	2	821.157	8037100.0	11.863033333333334	35																																													
1904	20	824.623	1	824.623	23121100.0	11.226635833333331	5																																													
1907	3	828.349	1	828.349	69502700.0	7.801155555555556	13																																													
1909	8	2494.71	3	832.236	24482300.0	13.33019375	3																																													
1911	3	833.537	1	833.537	3480500.0	4.980677777777777	-1																																													
1912	47	834.601	1	834.601	631428000.0	9.151875177304964	5	CCMSLIB00010094563	1912.0	specs_ms.mgf	PNNL-LIPIDS-POSITIVE.mgf	0.884351	46888.8	0.0	0.0	7.0	0.0	834.601	1.0	temp/specs_ms.mgf1912	1.0	PC(18:0/22:6); [M+H]+ C48H85N1O8P1	LC-ESI	HCD; Velos	Commercial	Thomas Metz	Thomas Metz	M+H	834.601	0.0	1.0						1.0	Positive	PNNL-LIPIDS-POSITIVE	834.601	UPDATE-SINGLE-ANNOTATED-GOLD	Gold										
1915	30	838.631	1	838.631	73180200.0	10.662172777777778	5																																													
1919	3	1681.33	2	841.164	3666280.0	12.829922222222224	31																																													
1920	9	1682.33	2	841.667	10933400.0	13.114818518518518	31																																													
1924	4	842.668	1	842.668	2627680.0	11.654458333333332	-1																																													
1926	3	848.619	1	848.619	1365530.0	10.466033333333334	-1																																													
1927	11	1698.36	2	849.68	31834700.0	12.917974242424242	31																																													
1928	3	1699.36	2	850.179	3183310.0	11.598394444444445	-1																																													
1933	3	856.38	1	856.38	341021000.0	9.167811111111112	-1																																													
1934	20	856.581	1	856.581	20129300.0	11.125676666666669	24																																													
1948	20	862.631	1	862.631	28075400.0	10.528169166666666	5																																													
1949	2	863.315	1	863.315	3936680.0	8.111766666666666	-1																																													
1961	2	1742.39	2	871.693	3170400.0	12.702583333333331	-1																																													
1964	2	1742.39	2	871.693	3708770.0	13.390416666666669	-1																																													
1976	3	888.371	1	888.371	14773600.0	8.310516666666667	-1																																													
1978	2	1786.41	2	893.704	4862640.0	11.677591666666665	-1																																													
1981	11	1786.41	2	893.706	73544300.0	13.18304393939394	38																																													
1986	2	903.489	1	903.489	673131.0	8.889725	-1																																													
1992	2	1830.44	2	915.719	4246410.0	13.064958333333331	-1																																													
2018	2	1888.48	2	944.741	1580390.0	13.351516666666669	-1																																													
2026	2	958.413	1	958.413	6663610.0	7.81335	13																																													
2033	4	1930.53	2	965.764	17683200.0	13.575841666666664	-1																																													
2049	2	991.673	1	991.673	4064750.0	8.616216666666666	4																																													
2051	2	1988.57	2	994.783	1265410.0	12.856033333333333	-1																																													
2068	2	2076.63	2	1038.81	2211760.0	13.817833333333333	-1																																													
2072	7	1054.3	1	1054.3	26724400.0	12.33902619047619	3																																													
2073	10	1055.3	1	1055.3	81394100.0	12.926605	3																																													
2074	2	1056.3	1	1056.3	2612350.0	11.62355	3																																													
2075	4	2119.58	2	1060.29	4790570.0	13.414066666666669	-1																																													
2079	3	1070.85	1	1070.85	1766160.0	11.747955555555556	-1																																													
2107	2	1239.89	1	1239.89	2984280.0	8.723158333333334	-1																																													
2108	2	1253.9	1	1253.9	2495410.0	8.644758333333332	4																																													
2109	3	1267.92	1	1267.92	5162630.0	9.071422222222225	4																																													
2112	3	1281.93	1	1281.93	5202040.0	9.202016666666664	4																																													
2113	2	1291.92	1	1291.92	2204240.0	9.182316666666669	4																																													
2120	2	1431.91	1	1431.91	5705660.0	5.484775	-1																																													
2130	8	1492.13	1	1492.13	9100380.0	11.311558333333334	2																																													
2132	24	1516.13	1	1516.13	137264000.0	10.831427083333333	2																																													
2133	3	1517.14	1	1517.14	43273900.0	11.405755555555556	2																																													
2136	4	1530.16	1	1530.16	3753830.0	10.8072625	2																																													
2139	2	1540.13	1	1540.13	3391640.0	8.769291666666668	-1																																													
2140	5	1542.14	1	1542.14	18381600.0	8.91874	2																																													
2141	27	1544.16	1	1544.16	243788000.0	11.066324074074076	2																																													
2142	2	3107.28	2	1554.14	2175640.0	11.919925	-1																																													
2143	6	1554.16	1	1554.16	6834080.0	10.873138888888889	2																																													
2144	11	1558.18	1	1558.18	14413300.0	10.884784848484848	2																																													
2145	22	1568.16	1	1568.16	139558000.0	10.613124242424242	2																																													
2146	14	1570.18	1	1570.18	119072000.0	11.82900476190476	2																																													
2147	2	1578.16	1	1578.16	2123210.0	10.964325	-1																																													
2148	2	1579.16	1	1579.16	2729510.0	10.893791666666669	35																																													
2149	2	1580.17	1	1580.17	2331690.0	10.852666666666668	35																																													
2150	4	1582.18	1	1582.18	4628780.0	10.511304166666667	2																																													
2152	11	1592.16	1	1592.16	34438900.0	9.983245454545454	2																																													
2153	17	1594.18	1	1594.18	68233800.0	10.85468725490196	2																																													
2154	11	1596.19	1	1596.19	61697900.0	11.415601515151517	2																																													
2155	3	1618.17	1	1618.17	5199470.0	9.318816666666663	2																																													
2156	18	1620.19	1	1620.19	54655500.0	10.85593888888889	2																																													
2158	7	1644.19	1	1644.19	10284200.0	10.235385714285714	2																																													
2159	2	1645.2	1	1645.2	3563180.0	11.032408333333333	-1																																													
                                                                                 nf_output/clustering/                                                                               0000755 0000000 0000000 00000000000 14572074175 013772  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/clustering/specs_ms.mgf                                                                   0000644 0000000 0000000 00001223020 14572074175 016301  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   BEGIN IONS
SCANS=1
PEPMASS=200.09801
CHARGE=1
COLLISION_ENERGY=0.0
55.935001	223.115997
57.285999	10.066
79.870003	103.109001
128.951004	392.423004
146.960999	102.809998
155.069	145.893997
156.009995	297.019012
158.059998	475.308014
END IONS
BEGIN IONS
SCANS=2
PEPMASS=200.164
CHARGE=1
COLLISION_ENERGY=0.0
67.055	209.955994
69.070999	127.612
71.050003	95.607002
81.07	481.661011
85.065002	177.966995
95.085999	470.186005
128.951004	57.021999
147.074005	221.059998
156.011002	21.783001
165.126999	118.488998
END IONS
BEGIN IONS
SCANS=3
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=4
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=5
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=6
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=7
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=8
PEPMASS=202.086
CHARGE=1
COLLISION_ENERGY=0.0
56.278999	106.154999
60.040001	78.537003
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119.085999	408.063995
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107.085999	450.665985
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90.888	20.981001
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CHARGE=1
COLLISION_ENERGY=0.0
57.407001	111.5
67.055	808.04303
81.07	1078.103027
95.085999	1034.89502
109.100998	427.571991
123.116997	315.341003
135.117004	266.733002
149.132996	82.893997
163.147995	146.192993
217.604996	129.003006
221.477005	99.904999
243.210999	160.673004
250.085999	94.643997
END IONS
BEGIN IONS
SCANS=360
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=361
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=362
PEPMASS=279.159
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	132.570007
81.07	99.775002
91.054001	40.660999
93.07	299.606995
95.085999	44.785999
119.085999	72.078003
149.024002	1083.776978
151.074997	30.466
179.365005	26.782
237.065002	41.784
END IONS
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SCANS=363
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=364
PEPMASS=279.23199
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	198.130997
67.055	398.25
69.070999	156.645996
81.07	566.078003
95.085999	548.20697
121.100998	170.475006
135.117004	96.275002
149.044006	265.026001
217.100006	68.678001
217.455002	77.891998
233.225998	24.221001
256.158997	10.033
END IONS
BEGIN IONS
SCANS=365
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=366
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=367
PEPMASS=280.263
CHARGE=1
COLLISION_ENERGY=0.0
67.055	604.583008
69.070999	1460.984985
81.07	1848.136963
83.085999	1242.878052
95.085999	1806.102051
109.101997	1177.238037
123.116997	437.496002
147.117004	183.994003
161.132004	132.294006
217.623001	115.359001
219.348999	32.088001
221.490997	18.884001
245.225998	768.177002
257.084015	11.63
258.653992	12.178
END IONS
BEGIN IONS
SCANS=368
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=369
PEPMASS=281.05099
CHARGE=1
COLLISION_ENERGY=0.0
50.019001	58.882
52.673	128.518997
55.194	142.436005
73.046997	5730.894043
74.763	89.254997
91.057999	5541.503906
135.054993	49.263
149.789001	30.309999
184.944	11.231
217.735992	10.598
221.188995	160.475006
221.451996	3469.87793
225.026993	1962.223022
226.893997	7.674
END IONS
BEGIN IONS
SCANS=370
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=371
PEPMASS=281.11301
CHARGE=1
COLLISION_ENERGY=0.0
52.124001	8.632
56.851002	18.695
73.046997	30.846001
91.057999	30.267
107.060997	42.918999
123.080002	38.701
135.056	1658.918945
147.091995	19.962
174.968994	18.212
183.533005	8.725
218.656998	30.639999
221.464005	34.48
END IONS
BEGIN IONS
SCANS=372
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=373
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=374
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=375
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=376
PEPMASS=282.27899
CHARGE=1
COLLISION_ENERGY=0.0
55.055	154.643005
57.070999	1136.152954
69.070999	1572.142944
81.07	524.539001
83.085999	1645.147949
97.101997	1407.472046
135.117004	397.005005
157.921005	21.223
163.147995	41.625999
175.891006	16.700001
221.464996	1038.629028
247.242004	356.790985
257.083008	8.677
265.252991	59.251999
END IONS
BEGIN IONS
SCANS=377
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=378
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=379
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=380
PEPMASS=283.108
CHARGE=1
COLLISION_ENERGY=0.0
50.205002	23.851
62.859001	22.099001
72.185997	21.891001
98.086998	25.097
116.307999	21.368999
138.654007	24.545
185.070999	367.196991
211.087006	882.296021
221.466995	192.326996
239.080994	735.942993
247.085999	185.744995
265.097992	154.906998
END IONS
BEGIN IONS
SCANS=381
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=382
PEPMASS=283.14401
CHARGE=1
COLLISION_ENERGY=0.0
54.465	10.55
60.283001	8.553
60.917	8.077
67.281998	4.372
76.605003	8.188
116.727997	8.707
132.673996	8.465
135.459	8.305
167.072998	17.049
183.100006	46.903
196.112	220.018997
221.501007	30.362
223.123001	129.630997
241.132996	1459.692017
END IONS
BEGIN IONS
SCANS=383
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=384
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=385
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=386
PEPMASS=284.09201
CHARGE=1
COLLISION_ENERGY=0.0
61.924999	14.684
62.095001	11.901
84.068001	11.771
104.026001	12.823
104.834999	15.355
129.936005	12.417
165.261993	11.961
186.091003	40.131001
187.005005	17.98
214.085999	399.263
217.160004	110.207001
238.085999	219.682007
242.080994	698.927002
256.096985	267.678986
261.041992	149.835999
END IONS
BEGIN IONS
SCANS=387
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=388
PEPMASS=284.14001
CHARGE=1
COLLISION_ENERGY=0.0
61.394001	38.937
62.273998	24.368
64.607002	28.112
69.153999	27.945
84.081001	93.372002
88.352997	31.011999
130.065002	9.612
152.057007	113.028999
166.158997	28.855
202.108002	52.806999
218.869003	153.936996
221.108002	402.606995
223.123001	308.602997
237.102005	634.258972
END IONS
BEGIN IONS
SCANS=389
PEPMASS=284.29501
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	737.416016
71.085999	497.815002
74.060997	176.082001
88.075996	653.088013
102.092003	423.824005
116.108002	123.527
144.138	67.691002
149.675995	36.561001
204.460999	40.078999
208.639999	41.404999
214.216995	7.371
END IONS
BEGIN IONS
SCANS=390
PEPMASS=284.33099
CHARGE=1
COLLISION_ENERGY=0.0
57.07	6777.667969
69.070999	61.938999
71.085999	5409.759766
85.101997	3143.149902
99.100998	119.940002
100.261002	29.629999
185.348999	15.417
217.274994	11.763
218.643997	16.514
218.899994	157.011002
221.453995	14.7
END IONS
BEGIN IONS
SCANS=391
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=392
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=393
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=394
PEPMASS=285.12299
CHARGE=1
COLLISION_ENERGY=0.0
55.917	44.577
66.776001	88.831001
68.063004	17.358999
71.292	22.018999
96.043999	49.676998
125.024002	14.67
131.069	21.855
185.070999	573.992981
195.091995	146.048004
207.091995	176.488998
211.087006	908.758972
223.087006	3177.866943
249.102005	1128.311035
END IONS
BEGIN IONS
SCANS=395
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=396
PEPMASS=0.0
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END IONS
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SCANS=397
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=398
PEPMASS=285.17001
CHARGE=1
COLLISION_ENERGY=0.0
57.034	165.707993
99.081001	159.182007
109.101997	111.237
113.059998	173.651001
137.132996	511.626007
147.117004	121.401001
165.126999	224.097
193.123001	34.980999
203.143005	139.287994
217.112	21.664
221.154007	189.220001
239.164001	30.136
249.147995	17.639999
END IONS
BEGIN IONS
SCANS=399
PEPMASS=286.07101
CHARGE=1
COLLISION_ENERGY=0.0
52.868999	19.775999
67.017998	58.074001
69.033997	73.980003
96.081001	20.264
97.028999	124.658997
135.044006	147.393997
170.059998	182.276001
190.050003	353.511993
198.054993	407.519989
199.063004	284.016998
213.078995	413.083008
230.080994	547.156006
240.065994	660.783997
END IONS
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SCANS=400
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=401
PEPMASS=0.0
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END IONS
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SCANS=402
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=403
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=404
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=405
PEPMASS=287.88901
CHARGE=1
COLLISION_ENERGY=0.0
51.032001	27.974001
59.019001	13.622
61.990002	16.447001
66.544998	14.233
83.113998	13.714
98.026001	42.178001
190.873001	119.239998
208.882996	1045.090942
218.139999	71.841003
226.893997	1582.041016
236.878006	277.684998
254.889008	471.707001
256.059998	67.001999
END IONS
BEGIN IONS
SCANS=406
PEPMASS=288.08701
CHARGE=1
COLLISION_ENERGY=0.0
53.039001	13.269
65.442001	6.812
66.904999	7.118
77.126999	6.109
81.033997	19.632
94.299004	6.294
139.378006	6.137
141.947006	7.128
200.070999	251.408997
208.882996	429.946014
214.085999	265.404999
226.893005	586.940002
256.059998	890.703003
264.872986	309.699005
270.075989	782.692993
END IONS
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SCANS=407
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=408
PEPMASS=0.0
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SCANS=409
PEPMASS=0.0
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END IONS
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SCANS=410
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=411
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=412
PEPMASS=0.0
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SCANS=413
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=414
PEPMASS=289.27399
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	1593.447998
71.085999	1037.598999
85.101997	495.354004
89.059998	402.677002
95.926003	16.979
107.070999	342.812012
147.664993	10.27
191.837006	15.833
195.207001	15.857
211.514008	12.417
214.882004	10.998
END IONS
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SCANS=415
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=416
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=417
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=418
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=419
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=420
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=421
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=422
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=423
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=424
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=425
PEPMASS=291.22
CHARGE=1
COLLISION_ENERGY=0.0
57.034	632.619019
59.049999	119.954002
81.07	169.259995
85.065002	152.242996
95.085999	155.623993
109.101997	202.190994
151.112	76.829002
157.085007	100.998001
199.149002	90.052002
255.210999	84.478996
END IONS
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SCANS=426
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=427
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=428
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=429
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=430
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=431
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=432
PEPMASS=293.08899
CHARGE=1
COLLISION_ENERGY=0.0
56.912998	37.816002
62.84	33.32
74.040001	40.515999
101.843002	34.047001
120.348	31.987
128.955994	35.699001
208.882996	659.822998
219.460007	137.235001
221.477997	275.471008
226.893997	897.851013
234.899002	72.370003
252.910004	373.718994
END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=437
PEPMASS=293.284
CHARGE=1
COLLISION_ENERGY=0.0
55.055	91.272003
69.07	355.221008
81.070999	198.457001
83.085999	323.393005
95.085999	238.278
97.100998	246.561005
135.117004	107.281998
163.147003	13.658
164.953995	24.809
185.529007	12.209
221.460999	175.570999
233.070999	73.910004
END IONS
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SCANS=438
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=440
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=441
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=442
PEPMASS=294.24301
CHARGE=1
COLLISION_ENERGY=0.0
67.055	152.298996
81.07	214.791
93.07	209.921005
95.085999	215.438004
107.085999	181.589996
121.100998	215.917007
135.117004	208.322998
187.149002	50.077
201.162994	50.202999
217.005997	70.573997
252.085007	139.692001
259.205994	60.733002
END IONS
BEGIN IONS
SCANS=443
PEPMASS=294.24301
CHARGE=1
COLLISION_ENERGY=0.0
67.055	178.690994
71.085999	191.699997
81.07	202.628998
93.07	181.128006
95.067001	184.100998
151.112	244.408005
161.132996	139.789993
163.112	36.091999
170.117996	111.736
179.143005	57.576
217.322006	43.048
241.195007	37.702999
249.222	19.768
END IONS
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SCANS=444
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=450
PEPMASS=296.258
CHARGE=1
COLLISION_ENERGY=0.0
67.055	374.765015
69.070999	397.963989
81.07	668.994019
95.085999	683.070984
109.101997	313.134003
135.117004	257.209015
153.126999	107.294998
221.496002	85.613998
226.070999	172.25
233.225998	67.258003
237.222	21.386999
251.237	55.261002
261.221008	127.834
END IONS
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SCANS=451
PEPMASS=297.05399
CHARGE=1
COLLISION_ENERGY=0.0
51.506001	35.674
58.066002	43.112999
73.046997	294.895996
91.057999	398.259003
95.888	27.02
141.994995	52.889999
153.065994	38.823002
153.375	42.165001
174.020996	144.876999
176.970001	50.846001
221.449005	87.060997
225.042999	114.436996
227.011993	177.363998
253.063004	382.54599
END IONS
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=453
PEPMASS=297.08301
CHARGE=1
COLLISION_ENERGY=0.0
50.666	69.253998
51.02	115.449997
55.856998	64.507004
73.046997	7868.095215
74.764	178.641998
91.057999	8772.630859
132.636993	6.952
135.641006	5.741
146.164001	7.534
163.192993	2.43
175.104004	14.793
219.395996	42.137001
221.457001	3712.374023
225.042999	5093.269043
227.041	1798.387939
265.019989	812.711975
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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PEPMASS=0.0
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END IONS
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PEPMASS=0.0
CHARGE=0
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PEPMASS=0.0
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END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=459
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=460
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END IONS
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SCANS=461
PEPMASS=297.08301
CHARGE=1
COLLISION_ENERGY=0.0
51.450001	64.535004
65.876999	67.122002
72.394997	104.938004
73.046997	237.832001
91.057999	362.290009
133.065002	390.529999
172.975998	55.348
211.095001	57.583
219.567993	218.306
220.350998	223.457001
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PEPMASS=0.0
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END IONS
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SCANS=464
PEPMASS=297.133
CHARGE=1
COLLISION_ENERGY=0.0
69.033997	110.634003
81.033997	72.411003
83.050003	68.808998
107.085999	56.104
133.065002	2499.218994
151.076004	64.273003
162.565002	4.329
217.113998	16.233
217.759003	37.467999
220.018997	6.48
225.044006	12.359
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PEPMASS=0.0
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SCANS=468
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=469
PEPMASS=298.34698
CHARGE=1
COLLISION_ENERGY=0.0
57.07	10557.555664
69.07	878.59198
71.085999	7566.359863
83.074997	254.001999
85.101997	4722.981934
133.065002	141.028
134.069	76.182999
155.151993	4.301
170.477997	25.039
218.705994	21.434999
221.492996	256.94101
245.225998	12.575
END IONS
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=472
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PEPMASS=0.0
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SCANS=474
PEPMASS=0.0
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SCANS=475
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SCANS=476
PEPMASS=0.0
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SCANS=477
PEPMASS=0.0
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SCANS=478
PEPMASS=0.0
CHARGE=0
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END IONS
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SCANS=479
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=480
PEPMASS=300.21701
CHARGE=1
COLLISION_ENERGY=0.0
58.066002	38.709
81.070999	107.426003
86.097	1781.998047
89.059998	56.103001
112.112	60.409
115.039001	64.019997
123.116997	383.337006
168.080994	161.669998
192.067001	16.469999
200.070999	30.476
218.033005	84.078003
221.464996	61.172001
245.643005	2.859
246.074997	21.035999
END IONS
BEGIN IONS
SCANS=481
PEPMASS=300.32599
CHARGE=1
COLLISION_ENERGY=0.0
52.575001	13.545
57.070999	768.802979
71.085999	691.95697
85.101997	405.873993
99.116997	11.874
104.238998	12.236
149.630005	9.251
172.391998	13.49
193.569	2.207
205.889008	10.377
221.496994	40.727001
226.199005	3.305
END IONS
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PEPMASS=0.0
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SCANS=483
PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=484
PEPMASS=301.11899
CHARGE=1
COLLISION_ENERGY=0.0
61.948002	18.948999
70.776001	47.306999
86.097	176.069
87.099998	50.988998
103.931	66.019997
169.076004	24.754
185.070999	567.150024
211.087006	1628.208984
235.087006	377.40799
239.080994	1469.532959
247.087006	500.431
265.096985	392.993988
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PEPMASS=0.0
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SCANS=486
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=487
PEPMASS=301.32901
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	2478.916992
58.074001	628.210999
71.085999	1865.594971
72.088997	596.21698
85.101997	1133.245972
86.105003	479.17099
129.492004	6.553
141.427002	10.308
145.806	7.005
193.244003	9.753
217.492996	79.106003
217.807999	266.963989
221.492996	338.446991
222.544006	9.488
242.158997	12.829
END IONS
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PEPMASS=0.0
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SCANS=489
PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=490
PEPMASS=302.10199
CHARGE=1
COLLISION_ENERGY=0.0
55.987	9.927
62.410999	30.207001
67.516998	12.055
88.054001	28.695999
95.013	24.072001
106.085999	10.736
123.008003	41.786999
199.063004	413.39801
213.078003	60.041
214.085999	799.434998
217.167999	254.184998
227.057999	73.252998
242.080994	724.999023
270.075989	1229.365967
END IONS
BEGIN IONS
SCANS=491
PEPMASS=302.19601
CHARGE=1
COLLISION_ENERGY=0.0
50.903	22.968
62.061001	83.075996
81.070999	108.519997
84.081001	20.429001
102.092003	1076.732056
123.116997	317.080994
145.048996	19.35
162.076004	18.836
168.024002	19.486
202.110992	65.049004
221.459	56.297001
237.707993	17.559999
240.084	23.224001
245.173004	24.006001
281.117004	25.884001
END IONS
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=493
PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=494
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=495
PEPMASS=303.883
CHARGE=1
COLLISION_ENERGY=0.0
50.076	10.499
50.610001	23.017
70.066002	11.617
72.863998	17.497999
82.510002	17.323999
91.055	28.006001
111.043999	11.937
180.888	418.356995
190.873001	208.925995
208.882996	2068.781982
218.610001	107.693001
221.492004	127.177002
226.893997	3488.761963
272.089996	29.792999
280.867004	130.481003
END IONS
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SCANS=496
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=497
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SCANS=498
PEPMASS=0.0
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SCANS=499
PEPMASS=0.0
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SCANS=500
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=501
PEPMASS=306.09698
CHARGE=1
COLLISION_ENERGY=0.0
60.868	37.811001
73.75	47.556999
76.164001	38.547001
82.732002	46.137001
99.044998	53.376999
111.086998	38.887001
145.050003	72.697998
189.076004	82.797997
218.080994	409.272003
219.104004	126.303001
221.447998	117.453003
228.065002	97.530998
246.076004	346.822998
END IONS
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SCANS=502
PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=503
PEPMASS=306.29999
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	1169.42395
71.085999	1007.129028
85.101997	652.984009
89.059998	440.287994
99.116997	15.289
107.070999	556.151978
149.100998	13.374
163.567001	11.594
184.182999	10.753
198.029999	6.9
217.820007	76.622002
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=505
PEPMASS=307.108
CHARGE=1
COLLISION_ENERGY=0.0
58.339001	13.861
61.561001	17.400999
61.891998	35.459
76.987	14.54
81.335999	15.806
90.476997	14.084
128.352005	15.633
156.882004	18.450001
197.011993	28.843
214.985992	120.578003
217.332001	80.435997
219.091995	173.162994
229.001999	219.332001
247.087006	1776.682983
255.880997	327.60199
END IONS
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=507
PEPMASS=307.15701
CHARGE=1
COLLISION_ENERGY=0.0
52.943001	33.778999
57.070999	22.565001
67.055	30.254
69.07	20.247999
81.070999	32.477001
95.085999	42.221001
121.101997	17.407
197.011993	359.43399
198.990997	230.167999
213.007004	544.341003
214.985992	744.955994
217.311005	111.665001
229.001007	1340.604004
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=511
PEPMASS=308.29401
CHARGE=1
COLLISION_ENERGY=0.0
55.818001	66.591003
69.07	246.210007
81.07	244.233994
83.085999	238.977005
95.085999	261.662994
97.101997	69.365997
135.115997	59.18
161.132996	33.973
214.005997	17.32
219.147995	78.041
221.470993	194.889999
229.964005	141.397995
262.427002	65.973999
END IONS
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SCANS=512
PEPMASS=0.0
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PEPMASS=0.0
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SCANS=516
PEPMASS=0.0
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END IONS
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SCANS=521
PEPMASS=310.11499
CHARGE=1
COLLISION_ENERGY=0.0
69.390999	15.704
86.030998	16.509001
92.889999	14.753
123.786003	10.041
136.061996	1701.015015
139.737	16.301001
217.292007	92.958
221.459	62.266998
225.033997	11.034
234.147995	18.559
243.042999	15.626
263.903015	25.232
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
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SCANS=526
PEPMASS=310.23801
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	213.768997
67.055	53.033001
69.07	159.365997
71.066002	161.852997
93.070999	52.317001
123.081001	53.209
127.112	50.388
131.087006	34.152
149.095993	64.081001
206.522003	25.589001
219.520996	91.504997
221.509003	114.127998
247.205002	357.307007
275.200989	168.255005
286.921997	250.623001
END IONS
BEGIN IONS
SCANS=527
PEPMASS=310.31
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	431.321991
69.07	562.116028
81.07	266.108002
83.085999	594.192993
97.100998	435.944
135.117004	217.177002
145.186996	33.993999
163.147995	19.983999
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172.315994	48.411999
217.223007	11.477
219.210007	5.504
226.216003	6.136
268.299988	5.26
END IONS
BEGIN IONS
SCANS=528
PEPMASS=311.069
CHARGE=1
COLLISION_ENERGY=0.0
68.050003	26.559999
70.066002	21.566999
125.070999	18.618999
126.865997	16.829
134.042007	98.526001
141.994995	46.395
166.042999	58.950001
187.016998	70.563004
195.022003	113.543999
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224.996002	106.285004
227.011002	104.358002
267.07901	653.799011
281.05899	227.145004
283.074005	139.955002
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
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SCANS=540
PEPMASS=312.327
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	581.762024
65.205002	58.209999
71.085999	319.036987
74.700996	67.258003
85.101997	261.718994
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144.108994	32.452
150.279007	32.403
202.964005	56.033001
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221.468994	142.132996
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SCANS=541
PEPMASS=312.362
CHARGE=1
COLLISION_ENERGY=0.0
57.07	10445.839844
69.07	892.857971
71.085999	7538.222168
83.085999	222.403
85.101997	4474.050781
97.100998	293.015991
158.059998	6.43
172.067993	30.997
175.675003	26.632
185.067993	27.992001
217.604996	3.132
217.789001	29.218
221.468002	1498.545044
256.002991	1.737
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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SCANS=550
PEPMASS=315.134
CHARGE=1
COLLISION_ENERGY=0.0
54.195999	31.066999
57.212002	18.35
71.872002	20.257
85.702003	35.712002
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211.085999	324.622986
216.964996	323.522003
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SCANS=551
PEPMASS=315.134
CHARGE=1
COLLISION_ENERGY=0.0
53.499001	37.504002
63.555	19.707001
71.894997	20.915001
85.769997	20.924999
93.231003	20.365
98.889999	19.843
122.796997	19.709999
133.404999	13.148
156.089996	20.041
191.957001	24.715
199.104004	77.817001
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240.089005	335.799988
255.113007	835.679993
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END IONS
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SCANS=557
PEPMASS=316.21201
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	86.005997
84.081001	222.554001
85.065002	247.328003
102.092003	1834.737061
115.039001	377.015991
123.116997	506.5
159.065002	899.395996
176.091995	846.127991
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216.123001	3252.572021
219.919006	11.555
221.026001	27.495001
221.459	350.118988
260.148987	10.926
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=562
PEPMASS=318.09698
CHARGE=1
COLLISION_ENERGY=0.0
50.285999	12.375
67.018997	29.025999
85.802002	8.097
117.803001	9.308
132.957993	9.061
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212.070007	174.951004
213.078003	346.101013
240.065002	591.127991
268.061005	111.004997
269.067993	215.035995
END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=564
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
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SCANS=567
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SCANS=569
PEPMASS=0.0
CHARGE=0
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END IONS
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SCANS=570
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=571
PEPMASS=319.284
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	495.300995
71.085999	350.584015
85.101997	263.697998
89.059998	689.437988
133.085999	31.09
151.097	91.599998
END IONS
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SCANS=572
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=573
PEPMASS=320.11301
CHARGE=1
COLLISION_ENERGY=0.0
50.428001	18.853001
50.879002	13.384
52.289001	11.286
57.179001	12.806
63.787998	12.101
97.32	34.831001
111.043999	20.836
199.063004	167.817993
214.085999	430.996002
218.582993	57.415001
242.080994	510.397003
256.061005	116.932999
270.075989	3183.437012
END IONS
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SCANS=574
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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CHARGE=0
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END IONS
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SCANS=577
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=578
PEPMASS=0.0
CHARGE=0
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END IONS
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SCANS=579
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=580
PEPMASS=0.0
CHARGE=0
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END IONS
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SCANS=581
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=582
PEPMASS=321.242
CHARGE=1
COLLISION_ENERGY=0.0
67.055	59.868
69.097	137.972
81.07	323.862
95.085999	297.696014
107.085999	65.777
109.100998	187.214996
135.117004	52.195
137.132996	32.402
205.222	22.073
217.718002	448.584015
221.496002	65.0
251.199997	28.408001
256.052002	29.851
271.07901	160.184998
END IONS
BEGIN IONS
SCANS=583
PEPMASS=0.0
CHARGE=0
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=585
PEPMASS=323.103
CHARGE=1
COLLISION_ENERGY=0.0
51.626999	12.621
54.173	12.06
58.757999	19.893999
59.931	16.316
65.767998	13.574
85.734001	32.393002
135.908997	9.293
136.112	8.787
136.604996	6.784
139.585999	10.032
206.084	256.234985
207.091995	31.965
217.5	36.238998
221.496002	25.622
235.087006	110.769997
263.082001	4865.079102
281.09201	1304.463989
END IONS
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SCANS=586
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=587
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=588
PEPMASS=324.289
CHARGE=1
COLLISION_ENERGY=0.0
55.055	58.551998
67.055	259.217987
69.07	84.484001
81.07	362.438995
95.085999	418.903015
109.100998	250.093994
123.116997	113.980003
153.128006	30.388
217.272003	89.637001
221.485992	41.243999
264.084991	21.622999
279.268005	19.299999
289.252014	21.569
295.56601	17.621
END IONS
BEGIN IONS
SCANS=589
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=590
PEPMASS=325.241
CHARGE=1
COLLISION_ENERGY=0.0
55.055	152.072998
69.07	543.382019
83.085999	234.770004
95.085999	188.889008
109.100998	237.292999
121.100998	352.641998
135.117004	258.290009
175.056	126.102997
189.005005	31.570999
221.490997	190.100998
255.173996	36.002998
269.131012	29.683001
272.200989	30.072001
273.18399	91.457001
END IONS
BEGIN IONS
SCANS=591
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=592
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=593
PEPMASS=326.37799
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	11133.378906
69.068001	1250.334961
71.085999	8515.196289
83.085999	548.789978
85.100998	4781.587891
98.985001	712.911987
216.815994	50.819
218.363007	1.854
218.542999	2.949
221.468002	455.580994
229.324997	6.71
284.29599	1.41
303.210999	809.265015
END IONS
BEGIN IONS
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PEPMASS=0.0
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END IONS
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SCANS=597
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=598
PEPMASS=328.07101
CHARGE=1
COLLISION_ENERGY=0.0
51.089001	26.275
68.445999	16.761999
70.066002	90.588997
73.065002	16.271
88.613998	16.320999
98.985001	43.474998
130.802002	22.471001
153.065994	57.960999
169.990005	30.469
210.007996	277.5
217.582001	99.386002
226.003006	205.369995
228.020004	108.172997
253.998001	856.437012
272.01001	48.41
END IONS
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SCANS=602
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=603
PEPMASS=329.211
CHARGE=1
COLLISION_ENERGY=0.0
98.985001	616.734985
119.085999	403.058014
121.100998	315.897003
125.059998	266.721008
159.117004	254.912994
161.132004	815.427979
185.132996	117.473
187.147995	133.906006
203.143005	110.005997
219.25	58.854
269.190002	15.959
283.204987	13.748
300.595001	4.593
END IONS
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=609
PEPMASS=330.19101
CHARGE=1
COLLISION_ENERGY=0.0
56.049999	91.527
57.070999	37.688999
72.081001	55.462002
81.07	311.837006
100.075996	46.094002
115.039001	512.494995
123.116997	498.898987
138.128006	41.102001
151.039001	18.937
190.070999	54.146999
219.419998	28.007
228.065002	48.612
254.080994	7.131
256.059998	38.429001
270.075012	21.580999
END IONS
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SCANS=618
PEPMASS=333.29999
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	1785.500977
58.835999	6.336
71.085999	1408.105957
81.959999	6.635
85.101997	673.284973
89.059998	1558.619019
133.085999	152.854004
148.559998	3.423
148.768005	2.192
151.097	346.667999
159.927002	2.087
218.518005	4.819
218.791	35.389
221.477005	8.523
265.321014	0.898
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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SCANS=630
PEPMASS=336.12299
CHARGE=1
COLLISION_ENERGY=0.0
56.049999	8.536
65.039001	2.72
91.055	995.278015
105.033997	75.661003
124.112	52.994999
136.052002	138.410004
160.039001	227.949997
162.054993	20.577999
188.033997	240.904007
190.050003	64.844002
217.266998	14.364
252.100998	41.460999
275.093994	17.167999
276.10199	23.378
END IONS
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=635
PEPMASS=337.16699
CHARGE=1
COLLISION_ENERGY=0.0
50.632	93.227997
51.984001	24.493
55.064999	24.763
71.108002	78.933998
88.704002	67.823997
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131.0	93.734001
143.0	110.955002
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174.990005	865.653992
185.011002	361.867004
189.005997	1815.516968
203.020996	424.747009
221.490997	489.71701
225.041	423.468994
281.165985	31.974001
END IONS
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SCANS=636
PEPMASS=337.237
CHARGE=1
COLLISION_ENERGY=0.0
54.238998	51.089001
57.034	34.832001
85.065002	124.478996
95.085999	235.934998
107.085999	316.042999
109.101997	255.003006
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163.110992	139.552994
165.126999	117.886002
189.005005	284.181
218.016998	200.380005
221.490005	131.177002
222.147995	141.992004
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=643
PEPMASS=338.34201
CHARGE=1
COLLISION_ENERGY=0.0
57.07	315.868988
69.07	457.817993
71.085999	73.499001
83.085999	394.114014
95.085999	70.516998
97.101997	293.993011
114.091003	61.639999
203.380997	42.833
207.938995	56.851002
221.466995	129.757996
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=646
PEPMASS=339.25299
CHARGE=1
COLLISION_ENERGY=0.0
55.055	300.839996
57.070999	128.744003
69.07	415.885986
83.085999	423.950989
121.100998	280.140015
135.117004	188.813004
176.983994	130.901993
189.005005	218.240997
191.001007	258.748993
221.481995	41.660999
227.037994	68.343002
275.11499	32.442001
276.358002	18.459999
293.125	34.630001
END IONS
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SCANS=647
PEPMASS=339.289
CHARGE=1
COLLISION_ENERGY=0.0
55.055	221.436005
69.07	438.822998
81.070999	181.257996
83.085999	320.035004
95.085999	239.095001
97.101997	214.712997
121.100998	114.030998
135.117004	82.890999
149.132996	60.042
170.755005	12.602
191.001007	6.557
200.350998	16.148001
219.134995	34.881001
247.240997	14.972
265.253998	29.540001
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=650
PEPMASS=340.35699
CHARGE=1
COLLISION_ENERGY=0.0
57.07	1836.411011
60.044998	384.571014
69.07	253.272995
71.085999	1334.873047
74.060997	3741.467041
85.101997	781.304016
134.539993	9.614
149.110992	11.094
157.341003	18.136
190.757996	18.426001
196.679001	21.195999
218.664001	258.230011
219.285995	33.959
219.895996	30.702
221.492996	25.267
259.101013	17.886999
END IONS
BEGIN IONS
SCANS=651
PEPMASS=340.39301
CHARGE=1
COLLISION_ENERGY=0.0
57.07	2351.49707
60.044998	502.105011
69.07	350.945007
71.085999	1812.823975
74.060997	1195.541992
85.101997	1111.619995
179.951004	23.231001
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212.037003	23.441
217.981995	70.853996
218.397003	67.757004
221.479996	1077.041016
285.661987	10.391
294.381989	22.395
302.161011	11.05
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END IONS
BEGIN IONS
SCANS=656
PEPMASS=342.14899
CHARGE=1
COLLISION_ENERGY=0.0
50.987999	19.492001
52.942001	12.08
57.070999	15.689
71.085999	18.118
91.055	176.975006
105.07	85.074997
117.07	21.346001
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146.059998	36.354
195.104996	25.440001
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223.098999	474.082001
224.070999	24.511999
236.070999	180.184006
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281.119995	42.876999
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296.144012	50.771999
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PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=663
PEPMASS=343.285
CHARGE=2
COLLISION_ENERGY=0.0
50.012001	27.361
54.976002	27.294001
55.918999	18.75
57.050999	264.889008
82.066002	55.791
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125.0	119.650002
184.072998	1452.720947
217.130997	96.809998
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221.488007	137.977005
264.269012	874.643005
265.270996	63.507999
273.807007	19.367001
326.182007	12.597
368.661011	22.214001
441.311005	17.341
487.756012	15.907
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=667
PEPMASS=345.05301
CHARGE=1
COLLISION_ENERGY=0.0
50.723	69.859001
69.789001	49.305
72.938004	112.249001
90.487	50.723
107.530998	56.747002
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141.994995	48.997002
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165.0	33.880001
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221.472	40.744999
244.042999	31.301001
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299.048004	595.642029
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PEPMASS=0.0
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END IONS
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SCANS=669
PEPMASS=345.20599
CHARGE=1
COLLISION_ENERGY=0.0
50.618999	54.066002
56.681999	33.860001
91.055	180.817993
105.07	185.052002
119.085999	264.56601
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159.117004	264.591003
161.132004	268.950012
203.143005	68.848
218.710999	162.824997
221.485001	105.997002
261.744995	40.716
303.196014	151.779999
END IONS
BEGIN IONS
SCANS=670
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=671
PEPMASS=346.14301
CHARGE=1
COLLISION_ENERGY=0.0
51.575001	3.561
53.268002	4.514
54.452999	5.461
91.055	274.200989
105.047997	139.847
107.050003	25.395
120.044998	38.535
132.044998	87.329002
184.076004	576.661011
185.082993	309.276001
209.084	66.235001
212.070007	80.263
213.078003	580.926025
228.065994	114.107002
272.144012	39.691002
285.114014	41.514
300.138	268.755005
313.109009	100.984001
318.14801	24.049
END IONS
BEGIN IONS
SCANS=672
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=673
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=674
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=675
PEPMASS=346.22299
CHARGE=1
COLLISION_ENERGY=0.0
52.437	29.308001
62.061001	71.224998
81.07	37.055
102.092003	1189.437988
123.116997	241.410995
128.106995	65.487
145.050003	29.829
186.104996	28.202
189.076004	26.507999
206.102997	27.243999
220.731003	47.195
246.134003	107.344002
END IONS
BEGIN IONS
SCANS=676
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=677
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=678
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=679
PEPMASS=347.22198
CHARGE=1
COLLISION_ENERGY=0.0
55.055	44.074001
95.085999	59.043999
107.085999	228.319
109.100998	79.849998
121.100998	336.313995
125.059998	157.546997
161.132004	237.110992
163.147995	148.132996
187.147995	58.529999
197.080994	45.222
205.158997	42.353001
221.505005	38.428001
270.075012	65.403
283.205994	14.401
303.199005	66.988998
311.197998	46.131001
END IONS
BEGIN IONS
SCANS=680
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=681
PEPMASS=347.22198
CHARGE=1
COLLISION_ENERGY=0.0
54.59	81.337997
58.589001	51.290001
67.055	132.005997
93.07	256.151001
119.085999	302.889008
121.100998	86.210999
127.075996	163.699005
135.117004	78.372002
137.095993	233.953995
185.134003	16.636999
221.5	220.712006
END IONS
BEGIN IONS
SCANS=682
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=683
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=684
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=685
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=686
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=687
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=688
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=689
PEPMASS=349.237
CHARGE=1
COLLISION_ENERGY=0.0
57.034	78.158997
69.070999	221.981003
71.085999	547.390015
99.081001	166.608002
121.101997	356.575012
137.095993	212.470001
151.074997	199.013
177.126999	135.307007
205.158005	107.619003
221.496994	166.882004
233.154007	75.410004
251.164001	290.733002
287.631012	19.591
293.173004	27.790001
298.403015	17.184999
END IONS
BEGIN IONS
SCANS=690
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=691
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=692
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=693
PEPMASS=350.13901
CHARGE=1
COLLISION_ENERGY=0.0
59.120998	5.625
79.269997	7.685
91.055	293.506012
105.033997	157.578995
117.07	206.416
145.065002	147.167999
174.054993	411.019012
176.070999	218.255997
204.065002	503.244995
220.059998	373.279999
232.059998	100.322998
244.059998	59.537998
289.109985	92.060997
303.200012	98.519997
304.132996	84.410004
317.104004	35.929001
END IONS
BEGIN IONS
SCANS=694
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=695
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=696
PEPMASS=350.32599
CHARGE=1
COLLISION_ENERGY=0.0
50.374001	30.968
57.070999	1473.650024
71.085999	1253.103027
85.101997	653.356995
89.059998	1858.0
133.085999	305.699005
151.097	1050.224976
152.761993	9.669
210.110001	5.68
217.270004	26.073999
220.468002	163.975006
221.481995	30.207001
246.289001	6.002
303.203003	52.036999
313.229004	2.569
END IONS
BEGIN IONS
SCANS=697
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=698
PEPMASS=351.255
CHARGE=1
COLLISION_ENERGY=0.0
69.063004	663.45697
95.085999	500.777008
107.085999	307.623993
109.100998	515.455994
121.101997	510.166992
161.108994	179.257996
165.128006	483.975006
195.138	102.125999
207.156998	100.433998
221.488998	43.667
270.756989	40.891998
END IONS
BEGIN IONS
SCANS=699
PEPMASS=352.095
CHARGE=1
COLLISION_ENERGY=0.0
50.973999	21.017
54.415001	14.722
56.73	17.455
62.963001	15.794
72.122002	19.139999
107.877998	16.462
120.081001	21.906
141.996002	18.441999
165.268005	17.737
187.016998	35.134998
195.020996	31.385
219.397995	58.085999
221.483002	57.396999
227.011002	42.011002
267.07901	555.114014
281.058014	126.959999
283.075989	128.203995
285.089996	642.359009
END IONS
BEGIN IONS
SCANS=700
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=701
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=702
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=703
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=704
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=705
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=706
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=707
PEPMASS=353.29999
CHARGE=2
COLLISION_ENERGY=0.0
54.485001	58.466
57.070999	500.627014
71.085999	362.769012
95.085999	287.381989
112.112	271.209991
133.065002	464.641998
151.074997	127.511002
170.804993	38.743
190.311005	38.268002
221.464005	357.832001
227.854996	23.910999
235.119003	36.429001
279.371002	42.036999
285.276001	33.006001
439.290985	50.328999
481.173004	26.479
488.704987	30.025999
END IONS
BEGIN IONS
SCANS=708
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=709
PEPMASS=354.14899
CHARGE=1
COLLISION_ENERGY=0.0
55.935001	255.725998
72.938004	64.622002
91.055	283.329987
95.560997	38.741001
100.077003	41.403
128.964005	44.164001
184.018997	68.958
221.121002	138.981995
221.501007	141.389999
234.091995	119.014999
235.098999	452.735992
267.067993	139.628998
282.127014	31.41
283.135986	31.347
298.15799	28.388
END IONS
BEGIN IONS
SCANS=710
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=711
PEPMASS=354.319
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	89.694
61.011002	415.501007
71.085999	260.688995
79.021004	341.217987
95.015999	339.03299
117.072998	283.863007
131.089005	234.988007
143.141006	25.187
144.802002	25.431
217.106995	24.912001
218.636002	499.56601
219.692993	165.520004
228.130997	24.242001
260.110992	26.23
303.214996	29.129
END IONS
BEGIN IONS
SCANS=712
PEPMASS=354.37201
CHARGE=1
COLLISION_ENERGY=0.0
51.056	37.988998
56.049999	52.008999
57.070999	551.809998
71.085999	346.075989
74.060997	2562.156006
85.101997	148.539001
154.505997	32.188
173.078995	9.39
220.927994	67.466003
256.096008	21.947001
284.471008	15.534
END IONS
BEGIN IONS
SCANS=713
PEPMASS=355.07001
CHARGE=1
COLLISION_ENERGY=0.0
50.091999	29.705
67.324997	22.788
71.537003	31.059999
73.046997	1251.624023
91.057999	1773.715942
114.394997	24.996
130.220993	18.816999
132.904999	17.926001
134.449005	23.465
136.005005	36.787998
218.727997	121.723999
221.462997	166.153
221.983994	79.012001
226.479996	25.938
241.449997	31.228001
268.977997	173.882004
END IONS
BEGIN IONS
SCANS=714
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=715
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=716
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=717
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=718
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=719
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=720
PEPMASS=356.06699
CHARGE=1
COLLISION_ENERGY=0.0
51.036999	16.954
70.066002	108.627998
96.459999	12.044
125.025002	13.38
129.492004	14.023
153.065002	56.740002
154.074005	181.656006
210.007996	182.744995
217.246002	107.392998
218.574005	54.52
226.003006	162.130005
253.998001	708.301025
283.074005	154.093002
285.053986	63.424
END IONS
BEGIN IONS
SCANS=721
PEPMASS=356.12701
CHARGE=1
COLLISION_ENERGY=0.0
66.18	11.316
89.028999	119.089996
91.055	442.467987
105.052002	15.189
129.070007	701.564026
162.054993	165.662003
200.070007	124.765999
212.070007	199.143997
216.903	227.824005
221.496994	62.417
237.078003	757.265991
250.085999	885.661011
278.080994	632.033997
300.138	309.358002
310.122986	51.153
313.109009	830.473022
324.083008	160.410004
END IONS
BEGIN IONS
SCANS=722
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=723
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=724
PEPMASS=357.21399
CHARGE=2
COLLISION_ENERGY=0.0
50.458	29.08
52.108002	32.800999
57.070999	22.145
81.070999	189.815994
91.056999	93.507004
123.116997	527.041992
143.093994	577.952026
159.065002	398.106995
184.072998	287.247986
202.106995	372.609985
216.123001	898.692017
221.483994	316.227997
250.154007	296.635986
264.269012	42.048
288.966003	16.691
303.197998	134.263
394.088989	13.979
END IONS
BEGIN IONS
SCANS=725
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=726
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=727
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=728
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=729
PEPMASS=358.14401
CHARGE=1
COLLISION_ENERGY=0.0
81.07	17.642
91.055	504.421997
96.666	17.077999
105.07	25.611
117.07	38.275002
146.059998	96.818001
162.054993	21.618
184.076004	135.824997
211.089005	231.764999
221.070007	384.68399
239.093994	878.830017
240.065002	420.734985
267.088989	424.862
297.11499	135.348999
302.153015	70.181999
312.138	94.539001
315.125	77.290001
END IONS
BEGIN IONS
SCANS=730
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=731
PEPMASS=358.16599
CHARGE=1
COLLISION_ENERGY=0.0
72.842003	66.554001
83.542999	39.644001
85.374001	38.349998
97.035004	40.285
123.066002	42.240002
140.067993	56.911999
156.009003	370.595001
178.082993	247.018005
180.100006	55.816002
220.188995	196.671005
221.466003	178.891998
242.082001	400.536011
276.157013	78.383003
END IONS
BEGIN IONS
SCANS=732
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=733
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=734
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=735
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=736
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=737
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=738
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=739
PEPMASS=360.16
CHARGE=1
COLLISION_ENERGY=0.0
58.311001	52.738998
67.874001	36.068001
85.533997	80.927002
87.612	7.81
88.941002	7.25
91.054001	129.365997
146.059998	21.135
155.085999	7.171
182.998993	40.775002
217.177994	63.463001
221.505997	97.574997
223.100006	597.932983
251.093994	582.945007
254.078003	42.039001
286.158997	27.951
299.131012	20.534
311.513	43.243999
314.153015	65.132004
END IONS
BEGIN IONS
SCANS=740
PEPMASS=360.22699
CHARGE=1
COLLISION_ENERGY=0.0
73.028999	103.160004
81.07	96.424004
84.081001	76.494003
116.107002	503.212006
123.116997	217.270004
146.098007	77.279999
159.065002	126.615997
176.091995	111.372002
216.123001	517.450012
219.574997	44.679001
221.453003	34.971001
250.332993	17.417999
END IONS
BEGIN IONS
SCANS=741
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=742
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=743
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=744
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=745
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=746
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=747
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=748
PEPMASS=362.13901
CHARGE=1
COLLISION_ENERGY=0.0
56.026001	7.683
57.988998	20.097
74.688004	22.087999
85.028999	21.478001
86.547997	9.727
91.063004	589.703979
155.070007	19.916
173.080994	10.253
184.074997	28.028999
215.093994	139.658997
228.065002	75.386002
242.080994	51.873001
243.089005	208.016998
244.097	228.666
271.084015	1411.468994
302.117004	4.209
303.192993	87.650002
320.128998	7.548
END IONS
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SCANS=749
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=750
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=751
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=752
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=753
PEPMASS=363.216
CHARGE=1
COLLISION_ENERGY=0.0
53.085999	63.557999
57.099998	52.639
93.07	158.307999
105.07	84.085999
119.085999	174.330002
123.080002	58.099998
125.059998	529.588013
159.117004	212.416
163.179993	53.463001
203.141998	25.674
217.455994	166.098999
221.483994	193.746994
END IONS
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SCANS=754
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=755
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=756
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=757
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=758
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=759
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=760
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=761
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=762
PEPMASS=365.23199
CHARGE=1
COLLISION_ENERGY=0.0
52.688	27.533001
57.070999	49.903999
69.051003	182.686996
71.085999	106.699997
95.085999	179.787994
107.085999	107.152
109.100998	226.968994
137.132996	137.447998
165.128006	578.934998
179.143005	555.362976
181.121994	195.753998
209.117004	136.102997
221.503998	61.353001
255.123001	184.024994
273.971008	15.752
291.195007	9.725
301.216003	2.02
END IONS
BEGIN IONS
SCANS=763
PEPMASS=365.23199
CHARGE=1
COLLISION_ENERGY=0.0
69.07	131.326996
71.085999	33.243999
99.081001	94.309998
109.101997	63.542
125.059998	66.491997
135.080002	116.220001
137.095993	278.369995
165.128006	83.670998
181.085999	766.708008
193.123001	25.115
218.313004	45.803001
221.154007	126.053001
249.147995	40.390999
279.158997	31.183001
291.196014	4.472
297.921997	9.153
END IONS
BEGIN IONS
SCANS=764
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=765
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=766
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=767
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=768
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=769
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=770
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=771
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=772
PEPMASS=367.24799
CHARGE=1
COLLISION_ENERGY=0.0
52.342999	32.222
57.034	189.416
69.070999	1018.786987
71.085999	820.906982
109.101997	776.971985
121.100998	1165.890015
137.095993	627.450012
177.128006	491.570007
179.143005	203.772995
181.100998	249.677002
195.138	186.763
221.496002	148.824005
235.169006	378.588013
251.164001	129.768005
293.210999	128.061005
303.209991	29.884001
331.230988	5.582
331.834991	14.688
END IONS
BEGIN IONS
SCANS=773
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=774
PEPMASS=368.38901
CHARGE=1
COLLISION_ENERGY=0.0
50.402	57.308998
57.07	193.559006
70.579002	44.495998
71.085999	153.746002
74.060997	1154.397949
100.725998	45.202
192.429001	42.161999
198.815002	19.672001
200.973999	41.867001
221.447998	106.819
231.781998	25.965
END IONS
BEGIN IONS
SCANS=775
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=776
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=777
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=778
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=779
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=780
PEPMASS=369.26401
CHARGE=1
COLLISION_ENERGY=0.0
69.070999	176.261002
99.081001	112.625
109.100998	184.975998
121.100998	366.084015
123.116997	193.531998
127.075996	132.468994
163.147995	108.218002
165.126999	233.927994
177.128006	53.797001
195.138	37.894001
221.492004	87.255997
275.200012	11.369
293.210999	24.695
303.20401	6.4
315.231995	5.671
333.240997	7.572
END IONS
BEGIN IONS
SCANS=781
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=782
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=783
PEPMASS=370.14401
CHARGE=1
COLLISION_ENERGY=0.0
61.591	22.971001
64.147003	10.49
91.055	1408.024048
105.07	156.175003
121.592003	9.979
129.070007	19.716
196.076004	110.612999
221.498001	38.152
224.070007	132.901001
251.093994	317.709015
264.10199	132.589996
314.153992	226.126999
324.138	73.637001
327.125	146.011002
END IONS
BEGIN IONS
SCANS=784
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=785
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=786
PEPMASS=371.10101
CHARGE=1
COLLISION_ENERGY=0.0
51.298	34.779999
53.861	14.093
73.046997	2578.383057
80.549004	18.121
91.057999	4925.528809
111.191002	14.31
120.057999	24.729
167.056	84.137001
184.072998	165.511002
199.102005	17.035999
221.460999	782.357971
235.085999	23.457001
264.268005	37.914001
268.977997	389.373993
285.009003	3378.698975
299.061005	242.421005
303.210999	28.041
350.891998	4.27
END IONS
BEGIN IONS
SCANS=787
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=788
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=789
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=790
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=791
PEPMASS=371.31601
CHARGE=2
COLLISION_ENERGY=0.0
56.964001	215.852997
81.070999	68.236
86.097	276.65799
91.057999	134.378998
120.057999	546.405029
123.116997	229.141006
163.526993	16.205
181.968994	18.846001
184.072998	1692.152954
216.770996	100.282997
221.481003	291.966003
264.268005	775.135986
285.009003	55.834999
303.203003	162.589005
338.860992	16.830999
340.319	109.931999
353.09201	29.18
415.778992	17.698999
439.898987	17.608999
END IONS
BEGIN IONS
SCANS=792
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=793
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=794
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=795
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=796
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=797
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=798
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=799
PEPMASS=374.138
CHARGE=1
COLLISION_ENERGY=0.0
52.342999	24.804001
54.287998	28.982
64.966003	50.574001
91.055	6765.222168
105.07	51.551998
107.056	82.933998
117.07	64.859001
129.070007	714.184021
162.052994	304.483002
200.070999	1190.609009
228.074005	482.739014
237.078995	725.237
250.085999	671.039978
255.089005	707.447998
256.070007	3007.562012
313.109985	678.872986
328.132996	1290.249023
332.127991	65.0
346.144012	345.710999
END IONS
BEGIN IONS
SCANS=800
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=801
PEPMASS=376.15399
CHARGE=1
COLLISION_ENERGY=0.0
52.448002	15.101
54.896999	11.286
62.436001	11.102
65.666	16.198999
78.273003	12.455
91.055	449.270996
126.887001	11.641
129.070007	36.661999
150.041	10.398
162.054993	19.452
214.085999	612.229004
215.093994	754.406006
217.759995	205.992004
242.080994	216.220993
243.089005	1620.203003
285.100006	315.911987
316.134003	16.622999
330.148987	141.365005
334.143005	20.476
340.132996	18.926001
END IONS
BEGIN IONS
SCANS=802
PEPMASS=376.15399
CHARGE=1
COLLISION_ENERGY=0.0
55.019001	13.914
67.325996	26.417999
91.055	226.427994
110.039001	28.284
129.070007	368.898987
167.085999	79.766998
171.080994	227.050003
185.095993	583.666992
195.080994	136.177002
213.091003	183.438004
228.065994	251.957993
242.080994	51.169998
243.089005	183.802002
292.134003	165.207993
303.191986	73.663002
306.148987	68.197998
316.13501	91.905998
END IONS
BEGIN IONS
SCANS=803
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=804
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=805
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=806
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=807
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=808
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=809
PEPMASS=377.32599
CHARGE=1
COLLISION_ENERGY=0.0
50.284	13.998
52.113998	33.387001
57.070999	1021.119995
71.085999	867.406982
85.101997	457.30899
89.059998	1334.342041
133.085999	418.334991
148.645996	19.747999
151.097	62.609001
195.123001	220.705002
216.845993	273.131989
217.949005	50.550999
221.485992	57.625999
END IONS
BEGIN IONS
SCANS=810
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=811
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=812
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=813
PEPMASS=378.17001
CHARGE=1
COLLISION_ENERGY=0.0
51.653	14.39
57.716999	10.276
74.263	10.919
83.150002	48.473999
91.055	64.463997
106.507004	11.638
129.070007	33.710999
169.102005	146.845993
184.074997	91.549004
185.097	223.151001
212.070999	316.556
219.964005	163.235001
262.135986	170.492996
286.122986	41.928001
303.200012	62.939999
304.134003	366.393005
318.149994	38.033001
319.424011	45.747002
END IONS
BEGIN IONS
SCANS=814
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=815
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=816
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=817
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=818
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=819
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=820
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=821
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=822
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=823
PEPMASS=380.33801
CHARGE=1
COLLISION_ENERGY=0.0
53.714001	25.087
57.070999	182.992004
59.918999	26.297001
71.085999	156.460999
85.101997	49.009998
89.059998	722.723999
133.085999	212.544998
148.737	19.732
156.317001	19.57
184.074005	75.178001
195.123001	269.359985
221.477997	108.808998
229.662003	27.804001
250.632996	22.759001
END IONS
BEGIN IONS
SCANS=824
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=825
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=826
PEPMASS=381.159
CHARGE=1
COLLISION_ENERGY=0.0
69.070999	41.063999
85.028999	50.300999
91.055	503.123993
113.059998	34.900002
125.059998	43.085999
137.095993	25.438
195.138	76.938004
219.889008	50.285999
221.488998	56.185001
237.147995	26.865
263.082001	842.888977
275.083008	54.575001
END IONS
BEGIN IONS
SCANS=827
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=828
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=829
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=830
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=831
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=832
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=833
PEPMASS=381.29901
CHARGE=1
COLLISION_ENERGY=0.0
55.055	170.860001
69.070999	505.45401
81.07	351.028992
83.085999	421.231995
95.085999	441.498993
97.101997	201.945007
135.117004	99.014999
148.649002	21.913
189.005997	10.093
216.218002	27.594
216.979004	194.248001
221.473999	14.511
247.242004	28.648001
265.252991	63.501999
299.149994	2.505
303.20401	117.217003
END IONS
BEGIN IONS
SCANS=834
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=835
PEPMASS=382.16501
CHARGE=1
COLLISION_ENERGY=0.0
70.947998	16.601999
91.055	703.36499
92.057999	11.059
105.033997	40.012001
117.07	77.167
145.065002	54.990002
204.065994	289.449005
216.065002	296.382996
217.037994	230.112
220.061005	291.579987
230.080994	145.399002
259.084015	546.187988
303.196991	43.094002
304.132996	91.138
322.144012	29.056999
332.127991	617.307007
334.144012	33.966
END IONS
BEGIN IONS
SCANS=836
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=837
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=838
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=839
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=840
PEPMASS=383.24301
CHARGE=1
COLLISION_ENERGY=0.0
57.034	171.511002
69.065002	235.367996
71.085999	1142.296021
99.081001	464.321991
109.100998	195.235992
135.106995	158.617004
137.115997	428.572998
165.128006	422.493011
181.095001	514.596008
193.121994	262.859985
221.154007	238.001007
249.149002	84.374001
255.121994	93.652
267.158997	108.766998
279.158997	26.518999
285.169006	29.188
303.201996	31.556999
316.59201	4.984
END IONS
BEGIN IONS
SCANS=841
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=842
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=843
PEPMASS=384.159
CHARGE=1
COLLISION_ENERGY=0.0
50.268002	7.178
54.382999	5.434
91.055	375.897003
96.037003	7.984
97.100998	5.527
105.07	99.718002
126.745003	5.37
173.686996	4.952
184.074005	7.952
218.136993	33.611
222.091003	61.877998
238.085999	89.933998
250.085999	335.26001
264.10199	129.701004
265.109985	564.629028
293.105011	37.929001
298.122986	31.346001
326.117004	100.651001
328.169006	28.128
340.132996	28.462999
END IONS
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SCANS=844
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=845
PEPMASS=384.32501
CHARGE=2
COLLISION_ENERGY=0.0
55.122002	30.98
60.081001	25.871
86.097	202.412003
107.605003	25.834999
108.623001	29.735001
125.0	40.692001
170.292999	34.91
184.072998	1243.05896
192.052994	29.42
217.485992	171.447006
221.492996	186.712006
250.117004	26.938999
261.996002	25.282
262.252991	320.526001
264.268005	238.921997
END IONS
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SCANS=846
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=847
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=848
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=849
PEPMASS=385.259
CHARGE=1
COLLISION_ENERGY=0.0
57.034	141.406998
69.067001	352.436005
71.085999	850.349976
99.081001	447.023987
109.095001	499.01001
121.100998	569.135986
137.095993	496.256012
149.132004	167.798996
165.098999	216.125
218.820999	74.311996
219.554993	58.244999
221.001999	170.531998
221.498993	46.534
251.164001	303.828003
257.139008	19.691999
298.970001	18.253
331.223999	16.132
END IONS
BEGIN IONS
SCANS=850
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=851
PEPMASS=386.13901
CHARGE=1
COLLISION_ENERGY=0.0
57.875	10.78
58.181999	6.916
60.758999	25.124001
81.841003	11.945
91.055	922.487
105.068001	180.867996
117.07	77.540001
131.085007	36.972
169.100998	56.611
184.074997	95.768997
200.070999	126.066002
212.070999	169.404999
240.065994	287.199005
252.065002	125.274002
267.089996	175.645004
268.059998	219.945999
312.127991	147.789001
325.109985	15.794
326.118011	18.007999
330.148987	144.636002
END IONS
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SCANS=852
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=853
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=854
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=855
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=856
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=857
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=858
PEPMASS=388.15399
CHARGE=1
COLLISION_ENERGY=0.0
51.182999	29.035999
57.995998	17.224001
59.061001	51.764999
61.991001	30.115999
91.054001	1502.890991
105.07	138.147003
117.07	71.985001
119.085999	26.389
129.070007	28.978001
176.070999	239.807007
214.085999	742.84198
236.070999	344.940002
241.110001	282.881989
242.080994	731.036011
269.104004	719.400024
270.075989	1896.270996
312.101013	155.039993
326.117004	213.151993
327.125	2535.341064
342.14801	38.699001
355.119995	406.704987
360.157013	31.507999
END IONS
BEGIN IONS
SCANS=859
PEPMASS=388.15399
CHARGE=1
COLLISION_ENERGY=0.0
55.505001	17.945
60.167999	13.052
77.648003	13.391
86.168999	14.525
91.055	197.432007
105.07	22.07
159.117004	42.472
198.091003	18.982
220.358002	52.188
226.085999	115.977997
241.104004	319.377991
254.080994	208.169998
269.105011	582.718994
270.112	118.442001
328.131989	46.549999
330.112	44.560001
332.165009	22.079
345.136993	56.056
END IONS
BEGIN IONS
SCANS=860
PEPMASS=388.155
CHARGE=1
COLLISION_ENERGY=0.0
76.433998	19.173
79.981003	15.924
91.055	591.098999
105.07	76.424004
131.085007	29.197001
167.085007	110.863998
169.100998	19.301001
195.080002	23.018
221.608994	48.791
228.065002	103.971001
240.065002	18.844999
251.093994	121.527
279.088989	222.888
324.139008	36.153999
327.125	37.290001
328.132996	42.041
342.148987	310.872986
END IONS
BEGIN IONS
SCANS=861
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=862
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=863
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=864
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=865
PEPMASS=390.134
CHARGE=1
COLLISION_ENERGY=0.0
50.332001	13.196
51.633999	5.615
58.196999	7.083
91.055	855.762024
107.050003	1415.024048
117.07	88.910004
121.065002	27.874001
145.065002	168.929001
162.054993	78.291
200.070007	533.440979
228.067993	322.722992
250.085999	314.247986
256.065002	1901.415039
258.075989	73.586998
278.080994	147.395004
284.091003	856.794006
316.134003	66.662003
329.104004	134.209
330.112	101.185997
344.127991	422.924988
348.122986	55.493999
END IONS
BEGIN IONS
SCANS=866
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=867
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=868
PEPMASS=390.17001
CHARGE=1
COLLISION_ENERGY=0.0
52.398998	34.702999
53.987999	10.259
56.644001	11.781
89.535004	38.792999
91.055	529.958008
105.056	50.814999
146.059998	42.428001
197.082993	104.873001
211.078995	263.471008
221.082993	188.192993
225.078995	155.936005
239.093994	727.315002
240.067001	436.527008
297.11499	81.289001
312.138	95.032997
316.132996	95.231003
330.148987	73.114998
340.132996	1232.504028
358.144012	1128.970947
END IONS
BEGIN IONS
SCANS=869
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=870
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=871
PEPMASS=391.297
CHARGE=1
COLLISION_ENERGY=0.0
67.498001	42.942001
81.07	86.328003
94.894997	29.469999
96.044998	1152.33606
105.797997	31.431
125.096001	29.577
170.117004	35.365002
205.585007	19.021999
212.164001	23.388
217.494003	126.632004
218.705002	147.546997
233.494995	43.207001
279.233002	36.577
303.209015	47.672001
END IONS
BEGIN IONS
SCANS=872
PEPMASS=392.14899
CHARGE=1
COLLISION_ENERGY=0.0
51.542	16.707001
57.034	79.922997
91.055	659.669983
96.044998	60.534
117.07	163.498001
119.088997	62.286999
135.080994	630.299011
174.087997	308.795013
202.085999	459.44101
228.065994	67.746002
230.080994	1048.5
240.065994	215.494003
258.075989	1218.345947
283.084015	63.716
303.212006	33.022999
306.148987	36.043999
328.132996	278.623993
356.127991	161.320007
360.149994	25.705
END IONS
BEGIN IONS
SCANS=873
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=874
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=875
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=876
PEPMASS=393.15302
CHARGE=1
COLLISION_ENERGY=0.0
53.818001	7.257
57.034	26.844999
60.734001	5.51
91.055	181.677002
92.057999	68.738998
117.07	37.304001
135.080994	137.391998
136.084	81.394997
202.087006	73.360001
203.089005	87.456001
230.080994	165.904999
231.084	227.389008
258.075989	217.074997
259.07901	350.160004
314.112	21.959
329.136993	104.921997
END IONS
BEGIN IONS
SCANS=877
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=878
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=879
PEPMASS=394.16501
CHARGE=1
COLLISION_ENERGY=0.0
50.338001	20.18
51.23	16.027
54.921001	15.694
58.151001	34.469002
91.055	820.429993
105.055	97.199997
129.070007	264.350006
134.072998	49.452999
135.080994	34.535
162.054993	29.601999
230.080994	369.070007
242.080994	525.541992
243.089005	158.757996
258.10199	196.845993
261.098999	253.380005
285.098999	1021.297974
302.153015	139.770004
330.14801	318.391998
334.144012	97.374001
348.158997	137.542999
358.144012	635.982971
END IONS
BEGIN IONS
SCANS=880
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=881
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=882
PEPMASS=394.353
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	1125.119019
71.085999	915.807983
85.101997	438.269012
89.059998	1971.463989
107.07	140.546997
133.085999	825.197998
151.097	48.223999
177.112	95.676003
195.123001	854.562012
216.845001	49.759998
221.481003	270.871002
233.434006	18.99
265.382996	10.853
303.205994	30.201
END IONS
BEGIN IONS
SCANS=883
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=884
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=885
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=886
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=887
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=888
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=889
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=890
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=891
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=892
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=893
PEPMASS=398.76199
CHARGE=2
COLLISION_ENERGY=0.0
55.984001	56.532001
65.066002	26.033001
86.097	283.639008
125.0	36.941002
134.701004	38.969002
141.268997	44.560001
162.554001	36.534
184.072998	98.711998
217.149002	223.078003
221.487	162.412994
261.985992	26.313999
303.197998	46.763
319.194	475.897003
320.197998	29.129999
322.408997	41.953999
337.204987	231.401993
380.303009	60.370998
END IONS
BEGIN IONS
SCANS=894
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=895
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=896
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=897
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=898
PEPMASS=399.31
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	79.156998
69.07	247.649994
81.07	82.336998
83.085999	255.714005
95.085999	211.944
97.101997	180.147003
135.117004	126.804001
149.132996	73.199997
184.072998	19.055
215.382996	13.634
221.477997	47.150002
247.242996	74.352997
265.252014	123.579002
303.201996	41.652
339.290009	232.115005
END IONS
BEGIN IONS
SCANS=899
PEPMASS=399.34698
CHARGE=1
COLLISION_ENERGY=0.0
55.055	63.987999
57.070999	245.375
71.085999	584.635986
85.101997	252.404007
101.059998	436.175995
111.043999	413.914001
129.054993	419.665985
147.065002	199.035004
161.917999	21.443001
219.296005	153.834
221.453995	84.010002
224.891006	18.905001
281.687012	25.962999
END IONS
BEGIN IONS
SCANS=900
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=901
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=902
PEPMASS=400.26901
CHARGE=1
COLLISION_ENERGY=0.0
69.07	64.139999
71.085999	392.93399
99.081001	141.067993
109.100998	138.145004
135.117004	78.523003
165.126999	193.852997
181.121994	151.839996
184.074005	60.282001
221.154007	66.622002
255.121994	105.596001
285.170013	38.027
347.221008	2.031
365.231995	66.167999
370.246002	18.99
370.742004	18.77
END IONS
BEGIN IONS
SCANS=903
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=904
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=905
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=906
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=907
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=908
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=909
PEPMASS=402.285
CHARGE=1
COLLISION_ENERGY=0.0
55.055	10.356
69.070999	125.425003
71.085999	487.559998
99.081001	116.637001
109.101997	152.029007
121.100998	231.542999
137.095993	115.209999
163.147995	46.412998
183.102005	82.955002
193.121994	43.382
195.138	72.529999
239.128006	35.712002
251.164001	112.356003
257.138	53.573002
269.174988	81.788002
303.221008	34.846001
321.240997	6.031
329.031006	8.549
331.22699	7.754
END IONS
BEGIN IONS
SCANS=910
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=911
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=912
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=913
PEPMASS=404.14899
CHARGE=1
COLLISION_ENERGY=0.0
58.066002	44.488998
62.293999	15.815
62.959	15.01
91.055	1404.69104
105.064003	206.315002
117.07	81.985001
147.080002	28.733999
162.054993	41.577
214.085999	400.233002
215.089996	195.328003
230.080994	460.76001
242.080994	687.203003
258.075989	674.695007
270.075989	2120.503906
280.061005	495.385986
286.071014	868.143005
298.080994	207.522003
343.118988	180.404007
348.156006	46.307999
358.144012	432.613007
371.11499	130.753998
END IONS
BEGIN IONS
SCANS=914
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=915
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=916
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=917
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=918
PEPMASS=406.74799
CHARGE=2
COLLISION_ENERGY=0.0
57.034	429.778992
71.077003	697.140991
86.097	4647.731934
91.055	178.501007
95.110001	260.625
125.0	1087.167969
163.014999	1439.599976
181.026001	234.873993
184.072998	560.013
216.964005	193.932007
237.057007	118.351997
255.074997	181.705002
256.031006	130.278
303.201996	313.436005
329.177002	521.442017
331.13501	461.587006
333.151001	1504.147949
335.166992	5452.225098
336.170013	665.09198
389.157013	12.953
446.22699	0.333
448.074005	0.145
478.32901	4042.196045
479.332001	678.35498
502.328003	377.351013
503.332001	5.471
521.807983	0.499
522.703003	0.236
593.630981	0.614
638.453003	0.586
END IONS
BEGIN IONS
SCANS=919
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=920
PEPMASS=407.74799
CHARGE=2
COLLISION_ENERGY=0.0
57.070999	206.330002
64.098999	55.973
86.097	1136.834961
89.059998	123.403999
95.085999	74.665001
125.0	179.938995
163.016006	228.468002
174.990005	150.697998
184.072998	780.570984
189.005997	352.924011
218.957001	31.278999
221.483994	568.841003
267.256989	24.853001
277.346008	16.181999
303.212006	49.679001
307.354004	18.903
335.165985	29.172001
336.174011	12.702
337.169006	15.308
478.32901	662.937988
END IONS
BEGIN IONS
SCANS=921
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=922
PEPMASS=408.36801
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	91.234001
74.996002	44.023998
82.109001	48.441002
89.059998	705.835022
126.474998	45.969002
131.108994	47.646999
133.085999	121.976997
195.123001	349.487
212.151993	42.334
221.470993	232.281006
257.563995	58.776001
END IONS
BEGIN IONS
SCANS=923
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=924
PEPMASS=409.17499
CHARGE=1
COLLISION_ENERGY=0.0
52.102001	29.608999
54.237999	20.302
85.280998	22.216999
86.097	120.254997
91.055	160.141998
92.057999	55.938999
114.174004	22.778999
217.233994	55.630001
221.513	57.917
242.080002	161.582001
243.084	183.175995
257.079987	43.757
266.128998	48.915001
314.817993	29.195
331.14801	80.037003
357.131989	52.814999
358.134003	27.691999
359.143005	632.471985
END IONS
BEGIN IONS
SCANS=925
PEPMASS=409.25601
CHARGE=1
COLLISION_ENERGY=0.0
63.793999	23.141001
64.917	30.49
76.805	37.431
85.561996	29.823999
86.097	149.962006
102.310997	49.437
144.304001	30.827
161.100998	19.523001
162.707993	17.834999
184.052002	78.538002
218.636002	107.003998
237.145996	33.256001
249.182999	42.592999
271.779999	35.606998
293.171997	735.888
303.20401	182.830994
311.182007	220.410004
336.807007	57.778
END IONS
BEGIN IONS
SCANS=926
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=927
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=928
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=929
PEPMASS=410.16
CHARGE=1
COLLISION_ENERGY=0.0
52.417	34.387001
64.347	23.436001
91.055	162.363998
105.07	24.358999
107.051003	13.508
133.065002	196.317001
186.091995	114.807999
214.085999	170.697006
217.889008	174.509995
230.080994	80.083
246.076004	76.810997
260.09201	310.951996
274.071991	66.649002
278.10199	340.02301
344.127991	22.610001
346.144012	20.122
END IONS
BEGIN IONS
SCANS=930
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=931
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=932
PEPMASS=411.035
CHARGE=1
COLLISION_ENERGY=0.0
51.360001	17.976
57.279999	9.999
68.998001	37.115002
70.732002	12.894
76.650002	10.019
86.097	68.553001
116.709	13.441
137.024002	183.022003
169.548004	14.69
181.011993	20.622
217.095001	75.474998
218.556	90.653
219.029007	115.704002
295.02301	100.893997
309.040009	71.128998
323.018005	109.533997
337.035004	176.289001
341.028992	87.030998
355.044006	58.931999
365.028992	520.827026
END IONS
BEGIN IONS
SCANS=933
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=934
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=935
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=936
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=937
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=938
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=939
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=940
PEPMASS=414.19101
CHARGE=1
COLLISION_ENERGY=0.0
63.984001	12.093
71.028	2.435
86.097	4.591
91.055	195.686005
123.116997	11.004
124.805	8.613
147.080994	8.093
149.059998	8.838
150.737	7.602
216.065994	256.881012
217.074005	52.855
218.138	54.432999
230.080994	132.082001
259.084015	444.972992
267.122986	40.026001
316.096985	22.231001
317.102997	15.073
332.127014	370.397003
350.139008	303.279999
END IONS
BEGIN IONS
SCANS=941
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=942
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=943
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=944
PEPMASS=415.20901
CHARGE=1
COLLISION_ENERGY=0.0
53.528	9.733
57.070999	14.781
59.973999	15.175
86.097	86.161003
91.055	113.554001
104.107002	99.183998
119.085999	4909.676758
133.065002	82.611
184.074005	181.740997
188.106995	29.025
214.087006	16.141001
216.869003	41.782001
219.156006	43.202
275.080994	16.134001
292.31601	8.607
303.115997	56.667999
316.132996	18.635
331.144012	18.667
341.128998	61.576
359.139008	80.492996
373.153015	5.421
END IONS
BEGIN IONS
SCANS=945
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=946
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=947
PEPMASS=416.228
CHARGE=1
COLLISION_ENERGY=0.0
52.494999	30.176001
81.07	180.671997
84.081001	83.763
87.767998	23.966
102.092003	83.102997
123.116997	432.497986
145.050003	32.995998
159.065002	293.809998
202.106995	413.13501
216.123001	1001.237
221.470993	174.923004
242.139999	36.548
268.415009	10.016
295.117004	28.733999
303.326996	13.334
328.747009	11.055
END IONS
BEGIN IONS
SCANS=948
PEPMASS=416.26401
CHARGE=1
COLLISION_ENERGY=0.0
55.055	6.634
57.036999	68.357002
58.716999	10.162
69.070999	108.726997
85.028999	54.743
119.085999	228.595993
120.088997	140.436996
125.072998	74.491997
167.143005	893.708008
187.097	74.957001
195.138	137.431
250.257004	1.51
256.096985	26.820999
END IONS
BEGIN IONS
SCANS=949
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=950
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=951
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=952
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=953
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=954
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=955
PEPMASS=418.74799
CHARGE=2
COLLISION_ENERGY=0.0
58.877998	26.218
71.07	589.179993
72.938004	41.453999
86.097	3873.314941
91.038002	238.414993
95.085999	93.198997
125.0	1029.614014
163.016006	1225.121948
181.024002	222.802002
184.074005	445.846008
217.195007	52.342999
217.955994	111.209
221.505005	332.291992
241.067001	12.451
296.089996	12.481
302.997009	2.85
303.203003	364.238007
329.175995	12.544
357.148987	230.007004
358.169006	41.854
359.165985	2350.01001
360.169006	75.792999
386.138	15.347
387.141998	30.327999
471.040009	2.187
474.854004	2.803
478.329987	2868.926025
479.330994	347.071014
504.346985	3.422
526.327026	70.763
563.481018	2.898
564.52301	2.633
576.434998	2.714
642.684021	2.381
722.690979	4.054
776.189026	2.883
END IONS
BEGIN IONS
SCANS=956
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=957
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=958
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=959
PEPMASS=420.17999
CHARGE=1
COLLISION_ENERGY=0.0
51.261002	70.871002
53.738998	50.506001
57.111	45.122002
63.589001	29.903
86.097	172.804001
91.055	1560.975952
176.070999	152.727997
184.074005	46.219002
214.085999	818.502014
240.065994	391.807007
242.080994	320.748993
255.089005	781.335999
269.104004	1010.280029
270.075989	3405.589111
303.199005	1260.987061
327.125	3219.101074
342.14801	92.130997
355.118988	475.161011
360.158997	43.400002
370.144012	8375.753906
END IONS
BEGIN IONS
SCANS=960
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=961
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=962
PEPMASS=420.76401
CHARGE=2
COLLISION_ENERGY=0.0
67.055	19.32
71.077003	238.024002
81.070999	22.889999
86.097	1185.352051
95.085999	23.722
125.0	292.868988
163.016006	341.196014
181.026001	57.786999
184.072998	254.979996
216.824997	32.639999
217.195007	240.042007
256.003998	125.521004
303.201996	115.783997
331.134003	59.959
333.149994	301.556
335.166992	1236.010986
336.170013	148.822998
357.209015	94.220001
394.061005	4.106
440.417999	4.13
447.286987	93.156998
478.326996	4.68
502.326996	129.938004
504.34201	20.426001
506.360992	611.182983
507.362	96.164001
598.848022	7.697
646.812988	3.902
END IONS
BEGIN IONS
SCANS=963
PEPMASS=421.28101
CHARGE=1
COLLISION_ENERGY=0.0
50.263	101.543999
59.067001	50.368
66.848999	48.054001
72.111	85.007004
73.625999	76.898003
119.969002	91.592003
133.800995	57.035
186.768005	61.449001
194.302994	53.196999
194.783005	83.178001
211.143997	441.842987
212.944	58.459999
221.485001	668.34198
262.734009	78.307999
END IONS
BEGIN IONS
SCANS=964
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=965
PEPMASS=422.16
CHARGE=1
COLLISION_ENERGY=0.0
57.034	18.982
86.097	166.695999
91.055	339.640991
105.07	71.529999
107.050003	236.266006
117.07	43.775002
133.065002	48.73
164.070999	30.808001
200.070999	173.054993
228.065994	118.522003
250.085999	112.358002
256.062012	817.172974
270.075989	148.906006
278.080994	110.267998
284.091003	128.455002
326.117004	37.215
337.181	35.209999
344.128998	106.855003
358.144012	30.750999
372.122986	586.002014
386.138	110.862
END IONS
BEGIN IONS
SCANS=966
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=967
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=968
PEPMASS=423.19101
CHARGE=1
COLLISION_ENERGY=0.0
57.034	13.774
86.097	32.383999
91.055	94.211998
92.057999	51.459999
135.080994	22.865999
136.084	12.81
184.074005	10.705
217.699005	63.230999
256.095001	137.744003
257.098999	151.240997
271.098999	106.445999
272.092987	99.021004
273.084015	46.515999
328.127991	35.811001
329.131012	34.493999
330.13501	116.759003
371.147003	51.160999
373.158997	694.142029
389.157013	111.445999
END IONS
BEGIN IONS
SCANS=969
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=970
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=971
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=972
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=973
PEPMASS=424.17599
CHARGE=1
COLLISION_ENERGY=0.0
57.034	6.537
72.838997	8.401
91.055	78.945
92.043999	8.232
95.084999	21.618
117.07	25.412001
135.080994	159.397003
174.091003	128.921005
202.085999	105.124001
212.070999	42.275002
230.080994	368.917999
240.065002	187.380005
258.075989	1060.748047
274.071991	58.240002
290.10199	129.878006
328.134003	71.009003
331.119995	18.988001
332.127991	188.085007
346.144012	65.382004
356.127991	143.792007
END IONS
BEGIN IONS
SCANS=974
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=975
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=976
PEPMASS=424.21201
CHARGE=1
COLLISION_ENERGY=0.0
69.070999	217.029007
81.07	196.632996
86.097	127.121002
93.070999	118.471001
95.085999	139.751999
109.101997	174.414993
184.074005	179.244995
191.179001	247.735001
218.477005	148.410995
218.947006	102.107002
232.024002	99.078003
234.039993	508.876007
258.075989	69.129997
283.260986	43.804001
300.290009	34.632999
332.125	25.319
342.134003	99.196999
374.139008	47.215
END IONS
BEGIN IONS
SCANS=977
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=978
PEPMASS=424.36401
CHARGE=1
COLLISION_ENERGY=0.0
54.856998	33.438
57.070999	73.518997
71.085999	72.760002
85.101997	35.93
89.059998	701.89801
133.085999	353.561005
177.113007	27.724001
184.072006	49.764999
216.917999	193.630005
221.475998	72.681999
234.039001	27.398001
239.149002	132.009003
266.630005	31.656
END IONS
BEGIN IONS
SCANS=979
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=980
PEPMASS=425.29001
CHARGE=1
COLLISION_ENERGY=0.0
57.034	215.753998
69.070999	218.679993
97.065002	326.998993
115.075996	135.824997
123.116997	83.588997
125.096001	161.339996
161.132996	130.759003
189.153	63.286999
217.158997	33.630001
235.169006	81.216003
249.220993	20.931999
253.179993	38.883999
275.200989	15.96
315.231995	5.303
333.242004	19.823999
349.237	4.649
351.252991	60.587002
371.256012	9.962
389.266998	27.719
END IONS
BEGIN IONS
SCANS=981
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=982
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=983
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=984
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=985
PEPMASS=428.05801
CHARGE=1
COLLISION_ENERGY=0.0
52.591999	17.809999
86.097	118.315002
91.058998	232.095001
104.108002	12.297
106.473999	15.251
124.999001	13.273
184.074005	45.123001
216.828995	23.856001
220.701996	13.629
221.496994	188.106995
224.070999	27.987
284.0	105.300003
311.996002	157.363998
314.010986	327.832001
326.010986	727.304993
327.019012	235.772003
344.020996	287.584991
355.014008	892.940979
396.182007	23.785999
400.062988	345.753998
END IONS
BEGIN IONS
SCANS=986
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=987
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=988
PEPMASS=428.147
CHARGE=1
COLLISION_ENERGY=0.0
54.768002	21.087999
56.507999	33.333
64.793999	73.976997
83.558998	38.146999
86.097	87.841003
91.054001	38.011002
215.057007	16.976
217.723007	279.770996
246.763	41.325001
256.005005	53.118
295.082001	146.744995
303.214996	70.450996
314.010986	79.014
326.010986	346.90799
344.022003	68.518997
355.014008	246.294998
400.062012	95.415001
END IONS
BEGIN IONS
SCANS=989
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=990
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=991
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=992
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=993
PEPMASS=429.19101
CHARGE=1
COLLISION_ENERGY=0.0
69.033997	98.809998
81.033997	147.080994
86.097	62.867001
105.07	82.998001
119.085999	366.231995
133.065002	2879.800049
184.074005	13.842
212.106995	9.664
217.104004	91.750999
217.354004	109.177002
246.462006	9.344
279.122009	7.128
303.203003	28.197001
END IONS
BEGIN IONS
SCANS=994
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=995
PEPMASS=430.24399
CHARGE=1
COLLISION_ENERGY=0.0
50.164001	26.947001
57.894001	25.818001
81.07	390.145996
84.068001	232.796005
99.044998	208.457993
102.092003	318.868011
115.039001	434.484985
123.116997	846.838013
159.065002	1030.078979
176.091995	25.884001
216.123001	2896.544922
220.406006	13.434
220.651993	26.372999
221.466995	315.526001
242.138	64.512001
287.949005	7.295
288.490997	15.85
294.299988	6.803
298.200989	1.745
END IONS
BEGIN IONS
SCANS=996
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=997
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=998
PEPMASS=431.755
CHARGE=2
COLLISION_ENERGY=0.0
60.466	48.769001
78.862	61.597
84.968002	70.810997
86.097	970.341003
89.327003	76.036003
99.550003	68.179001
161.944	26.325001
163.016006	160.347
184.072998	38.543999
206.462997	41.268002
218.804993	169.369995
221.490005	749.987
251.942001	73.829002
303.209015	36.882
359.165985	91.696999
373.779999	36.941002
473.934998	55.342999
478.334991	48.018002
END IONS
BEGIN IONS
SCANS=999
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1000
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1001
PEPMASS=432.763
CHARGE=2
COLLISION_ENERGY=0.0
65.733002	35.749001
68.998001	69.603996
71.073997	72.183998
74.722	53.181999
86.097	2322.047119
119.085999	83.551003
125.0	579.302979
163.014999	623.250977
184.074005	648.781006
217.804993	68.191002
218.572006	53.709
219.070007	48.518002
219.612	159.636002
221.496994	522.671021
292.515991	13.818
297.243011	12.913
303.196014	210.358002
308.526001	14.228
337.238007	53.505001
359.165985	1057.053955
361.178009	14.544
396.955994	15.466
412.459991	14.724
456.334015	13.256
477.276001	17.622999
492.403992	15.184
504.342987	125.889
506.358002	523.330994
END IONS
BEGIN IONS
SCANS=1002
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1003
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1004
PEPMASS=433.771
CHARGE=2
COLLISION_ENERGY=0.0
62.313999	23.672001
71.055	137.313004
81.070999	39.838001
85.028999	29.908001
86.097	1664.505005
105.07	31.784
125.0	334.213989
163.014999	424.451996
184.072998	832.666016
216.945007	54.403999
217.237	60.155998
219.328995	41.080002
221.475006	525.708008
256.002991	81.276001
284.433014	7.315
293.742004	21.702
303.207001	212.162994
326.265991	24.400999
357.207001	85.093002
359.165985	104.028999
361.182007	748.502991
377.15799	10.156
384.661987	10.08
388.191986	24.198
506.359985	901.575012
507.362	135.695999
522.844971	10.951
534.961975	12.199
587.671021	7.304
591.172974	14.13
626.825989	10.27
640.978027	9.799
656.533997	8.428
693.927002	10.921
704.78302	10.989
END IONS
BEGIN IONS
SCANS=1005
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1006
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1007
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1008
PEPMASS=434.436
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	594.820007
69.07	250.175995
71.067001	517.978027
84.044998	268.657013
93.07	396.760986
107.085999	332.980988
168.138	258.661987
199.341003	34.077
221.459	540.413025
264.776001	45.41
282.376007	74.030998
287.375	62.501999
303.199005	40.57
376.390991	20.868
END IONS
BEGIN IONS
SCANS=1009
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1010
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1011
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1012
PEPMASS=436.17499
CHARGE=1
COLLISION_ENERGY=0.0
56.498001	28.874001
72.552002	23.097
86.097	62.521
91.055	582.633972
105.070999	248.671005
107.049004	199.488007
133.065002	40.849998
184.072998	86.893997
214.085999	287.259003
242.082001	458.218994
268.087006	335.373993
269.105011	481.963013
270.076996	1307.967041
272.09201	137.067001
298.106995	486.446991
343.119995	216.026993
358.144012	232.908997
376.152008	77.439003
386.138	1613.246948
404.148987	982.143005
END IONS
BEGIN IONS
SCANS=1013
PEPMASS=436.17499
CHARGE=1
COLLISION_ENERGY=0.0
66.911003	22.816999
86.097	28.399
91.055	96.085999
110.983002	21.525999
158.097	5.147
184.074005	32.645
214.085999	118.016998
218.113998	132.341003
228.065994	127.570999
243.089005	248.253998
270.075989	175.076004
271.084015	705.367981
303.20401	52.841
361.128998	12.593
362.138	10.41
367.992004	22.187
371.114014	15.715
379.674988	28.589001
END IONS
BEGIN IONS
SCANS=1014
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1015
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1016
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1017
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1018
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1019
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1020
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1021
PEPMASS=438.19101
CHARGE=1
COLLISION_ENERGY=0.0
57.034	4.775
73.264	14.384
82.785004	17.969999
91.055	6.679
111.910004	14.836
117.07	7.711
135.080994	80.988998
188.106995	123.623001
216.102997	89.475998
229.072998	116.433998
244.097	233.117004
257.067993	139.078003
272.091003	601.23999
286.106995	85.609001
304.118011	81.308998
342.147003	24.997999
345.135986	33.550999
346.141998	122.204002
360.158997	78.098999
370.143005	24.809999
END IONS
BEGIN IONS
SCANS=1022
PEPMASS=438.379
CHARGE=1
COLLISION_ENERGY=0.0
55.523998	22.540001
57.070999	377.923004
71.085999	347.785004
85.101997	129.166
87.044998	31.559999
89.059998	1570.589966
133.085999	918.468994
151.095993	15.31
193.024002	22.659
216.910004	105.060997
221.483002	246.375
233.927994	59.248001
239.149002	322.623993
248.074997	24.921
303.197998	479.221008
324.175995	27.923
342.178986	18.438999
371.863007	32.280998
END IONS
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SCANS=1023
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1024
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1025
PEPMASS=440.17001
CHARGE=1
COLLISION_ENERGY=0.0
55.880001	5.586
57.612	4.231
62.061001	3.993
66.084999	4.163
74.005997	4.996
91.055	46.377998
129.070007	512.502991
131.085999	125.967003
159.080994	346.259003
180.065994	366.737
201.091003	86.136002
206.044998	121.053001
218.173996	24.85
270.075012	1.393
283.263	13.927
300.290985	2.969
308.127991	160.529999
320.127014	12.316
340.321014	36.290001
348.122986	30.559999
375.320007	7.884
380.152008	2.099
END IONS
BEGIN IONS
SCANS=1026
PEPMASS=440.17099
CHARGE=1
COLLISION_ENERGY=0.0
63.337002	35.014
66.212997	28.684
86.079002	33.675999
86.336998	36.112999
91.054001	167.542999
107.049004	108.094002
135.080994	222.867004
200.070007	82.663002
220.531998	119.887001
228.065994	368.322998
256.063995	463.074005
272.054993	135.996994
274.070007	93.949997
284.09201	32.674999
288.084991	110.286003
344.127991	299.55899
362.138	34.622002
372.122009	189.847
376.153992	20.275
390.132996	67.649002
END IONS
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SCANS=1027
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1028
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1029
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1030
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1031
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1032
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1033
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1034
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1035
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1036
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1037
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1038
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1039
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1040
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1041
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1042
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1043
PEPMASS=444.763
CHARGE=2
COLLISION_ENERGY=0.0
64.389	55.226002
66.632004	31.747
71.078003	78.400002
86.098	2185.50708
119.085999	262.565002
125.0	463.529999
133.065002	75.212997
163.016006	669.765991
184.074005	209.526993
216.802002	88.852997
217.330994	585.844971
217.565994	68.005997
221.498993	47.859001
298.569	9.531
303.199005	560.234009
335.164001	19.75
345.720001	10.23
357.210999	11.411
359.029999	10.494
383.165985	666.377991
427.04599	16.714001
471.938995	8.584
497.997986	11.282
506.359009	1282.909058
507.367004	52.359001
550.617981	10.392
562.953003	8.62
643.648987	19.08
END IONS
BEGIN IONS
SCANS=1044
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1045
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1046
PEPMASS=445.12
CHARGE=1
COLLISION_ENERGY=0.0
50.113998	32.872002
59.52	39.875
64.684998	38.823002
73.046997	1635.421997
91.059998	3059.029053
101.179001	42.794998
149.044998	337.056
154.546997	32.737999
167.054993	1570.213989
220.156998	26.622999
221.449997	1291.500977
225.042999	630.900024
239.442993	9.574
251.212006	9.626
301.122009	7.743
303.209015	48.230999
314.548004	9.641
324.987	97.926003
342.997009	289.075989
359.028015	1266.57605
384.167999	10.22
387.440002	7.82
391.406006	8.973
END IONS
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SCANS=1047
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1048
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1049
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1050
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1051
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1052
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1053
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1054
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1055
PEPMASS=448.233
CHARGE=1
COLLISION_ENERGY=0.0
53.035	73.779999
58.529999	36.091999
59.061001	46.488998
69.033997	185.889999
107.085999	216.404999
119.085999	448.97699
133.065002	1611.88501
135.080994	305.298004
151.074997	101.414001
216.850998	75.478996
217.75	32.924999
217.919006	150.220993
221.235001	123.337997
221.503998	33.882999
271.140991	39.007
279.122009	22.25
291.348999	29.312
297.134003	103.005997
END IONS
BEGIN IONS
SCANS=1056
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1057
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1058
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1059
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1060
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1061
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1062
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1063
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1064
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1065
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1066
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1067
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1068
PEPMASS=451.22198
CHARGE=1
COLLISION_ENERGY=0.0
51.594002	7.805
72.081001	14.9
91.055	74.240997
98.389999	27.844
100.279999	29.014999
131.753006	27.681999
179.240997	28.502001
192.304001	25.582001
217.623993	48.326
221.505997	123.349998
237.078003	14.898
240.065002	361.363007
256.061005	72.057999
303.20401	68.992996
313.112	7.868
328.131989	27.791
356.127991	569.518982
374.139008	392.17099
382.085999	11.211
END IONS
BEGIN IONS
SCANS=1069
PEPMASS=452.17099
CHARGE=1
COLLISION_ENERGY=0.0
58.075001	29.059
69.487	20.205999
85.648003	23.322001
91.055	55.727001
105.07	41.266998
123.044998	66.254997
133.065002	50.773998
155.858002	18.247
212.070007	80.941002
213.078003	130.938004
217.074005	94.5
218.156998	120.875999
268.061005	180.606995
269.067993	128.483994
270.075989	540.25
298.106995	30.357
303.199005	69.210999
358.108002	23.586
359.115997	70.113998
387.109985	22.110001
END IONS
BEGIN IONS
SCANS=1070
PEPMASS=452.17099
CHARGE=1
COLLISION_ENERGY=0.0
52.272999	18.681999
56.806	22.24
57.070999	32.685001
86.109001	44.973
89.059998	22.587999
91.055	242.792007
117.069	62.976002
145.063995	75.362
147.080994	22.620001
174.054993	140.154007
204.065994	128.162994
217.395996	116.603996
220.059998	176.255997
232.059998	98.333
242.080994	37.418999
244.059006	37.859001
303.203003	129.033005
304.132996	21.724001
322.141998	32.368999
332.127014	108.596001
346.144012	31.237
350.139008	206.125
374.132996	21.358999
END IONS
BEGIN IONS
SCANS=1071
PEPMASS=452.20599
CHARGE=1
COLLISION_ENERGY=0.0
68.750999	3.313
71.863998	3.408
89.059998	4.419
91.055	5.658
117.07	11.467
122.072998	4.645
135.080994	60.158001
149.042007	59.011002
176.070999	7.328
215.093994	26.782
217.070007	31.378
243.089005	63.16
256.059998	102.546997
271.084015	244.289993
272.09201	100.668999
286.106995	648.606018
318.132996	90.723
330.112	34.117001
345.135986	71.400002
346.143005	106.547997
370.144012	54.147999
388.153992	204.264008
402.154999	35.074001
END IONS
BEGIN IONS
SCANS=1072
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1073
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1074
PEPMASS=452.39401
CHARGE=1
COLLISION_ENERGY=0.0
51.844002	66.036003
63.123001	24.145
86.802002	50.258999
89.059998	973.085999
105.848	31.066999
108.459999	49.825001
133.085999	455.843994
162.054993	28.285999
165.432999	48.252998
220.044998	48.659
239.149002	91.216003
262.519012	49.243
279.265991	26.474001
282.14801	29.995001
END IONS
BEGIN IONS
SCANS=1075
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1076
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1077
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1078
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1079
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1080
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1081
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1082
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1083
PEPMASS=454.16501
CHARGE=1
COLLISION_ENERGY=0.0
58.789001	8.44
72.081001	110.163002
86.097	8.546
91.055	348.075012
137.014999	11.56
153.751007	8.626
159.115997	8.375
186.061005	14.273
198.880005	9.612
217.330994	38.562
221.102997	23.232
251.093994	60.734001
285.240997	18.923
303.204987	58.886002
314.153992	86.094002
327.127014	9.973
342.148987	715.015991
370.144012	1254.099976
380.069	8.657
408.157013	118.023003
END IONS
BEGIN IONS
SCANS=1084
PEPMASS=454.18701
CHARGE=1
COLLISION_ENERGY=0.0
53.360001	32.241001
57.070999	45.898998
72.081001	49.370998
91.055	66.823997
95.085999	26.940001
135.080002	24.348
137.559006	24.802999
143.173996	24.545
216.834	77.753998
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232.097	186.746994
270.075989	713.573975
288.087006	148.306
299.256989	92.874001
302.101013	75.412003
358.141998	24.052
END IONS
BEGIN IONS
SCANS=1085
PEPMASS=454.29401
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	185.761002
58.066002	1091.613037
69.07	56.443001
71.085999	99.191002
81.07	49.453999
95.085999	140.261993
140.628006	13.29
147.647995	14.745
212.072998	14.318
214.108002	49.75
217.406998	108.950996
219.100006	85.261002
228.268997	14.645
243.231003	28.219999
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SCANS=1086
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1088
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END IONS
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SCANS=1089
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1092
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=1096
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=1097
PEPMASS=0.0
CHARGE=0
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SCANS=1098
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=1099
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=1100
PEPMASS=0.0
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SCANS=1101
PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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END IONS
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SCANS=1111
PEPMASS=460.255
CHARGE=1
COLLISION_ENERGY=0.0
57.082001	56.627998
62.061001	38.625
81.07	243.371002
84.081001	133.837006
99.043999	172.873993
102.092003	892.403992
123.116997	429.963989
145.050003	69.317001
159.065002	694.215027
189.076004	24.400999
216.123001	991.028015
220.328995	71.578003
221.470001	343.063995
246.132996	388.734985
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320.132996	41.467999
360.164001	102.344002
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=0
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END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1118
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1119
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1120
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1121
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1122
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1123
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1124
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1125
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1126
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1127
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1128
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1129
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1130
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1131
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1132
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1133
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1134
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1135
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1136
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1137
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1138
PEPMASS=468.30899
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	39.259998
70.066002	27.948999
71.085999	30.146999
72.081001	1353.786987
90.092003	50.629002
95.085999	8.592
148.046997	2.83
165.401001	2.587
170.057999	49.030998
217.5	30.673
220.022995	12.492
244.095993	11.879
269.19101	3.538
299.259003	352.290985
303.205994	15.736
END IONS
BEGIN IONS
SCANS=1139
PEPMASS=468.30899
CHARGE=1
COLLISION_ENERGY=0.0
57.118	99.754997
58.066002	1863.557983
62.061001	33.047001
72.081001	94.141998
76.075996	63.362999
95.085999	80.723999
140.074997	2.677
156.042999	4.567
168.548996	5.933
185.759995	6.181
216.927994	26.284
221.453995	81.660004
225.136993	6.128
230.078003	4.19
248.304993	29.927
303.200012	42.271
313.27301	277.516998
327.290009	208.479996
END IONS
BEGIN IONS
SCANS=1140
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1141
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1142
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1143
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1144
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1145
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1146
PEPMASS=469.198
CHARGE=1
COLLISION_ENERGY=0.0
61.235001	87.107002
87.858002	52.724998
89.512001	16.587999
91.055	621.588013
96.800003	58.229
167.085007	127.054001
171.080002	39.585999
184.074005	24.801001
206.044006	141.860992
217.167999	153.927994
218.177002	323.520996
242.789001	57.285
277.773987	83.096001
303.208008	87.639
321.368988	22.802999
378.135986	43.632999
END IONS
BEGIN IONS
SCANS=1147
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1148
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1149
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1150
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1151
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1152
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1153
PEPMASS=471.285
CHARGE=1
COLLISION_ENERGY=0.0
50.393002	32.215
51.462002	20.098
58.066002	73.762001
87.044998	176.619003
88.075996	835.093994
98.097	369.152008
116.070999	440.757996
156.102005	290.553009
174.113007	1711.749023
197.960999	14.567
210.091995	380.721985
219.826004	62.330002
221.492996	39.974998
280.17099	48.429001
297.863007	18.177
298.179993	22.871
303.207001	201.139999
312.070007	18.158001
332.459015	16.514999
END IONS
BEGIN IONS
SCANS=1154
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1155
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1156
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1157
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1158
PEPMASS=472.17499
CHARGE=1
COLLISION_ENERGY=0.0
58.292999	18.386999
63.941002	6.606
91.055	240.615005
97.038002	16.364
105.070999	8.294
118.197998	7.568
141.733994	8.354
173.195007	14.45
176.070999	58.841999
214.085999	107.969002
221.511993	40.244999
242.080994	102.727997
269.105011	139.904999
270.075989	540.031982
303.200012	45.417999
327.125	338.898987
342.14801	74.471001
355.122009	75.363998
360.15799	59.709
END IONS
BEGIN IONS
SCANS=1159
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1160
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1161
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1162
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1163
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1164
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1165
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1166
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1167
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1168
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1169
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1170
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1171
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1172
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1173
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1174
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1175
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1176
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1177
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1178
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1179
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1180
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1181
PEPMASS=478.32901
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	1316.312988
59.061001	218.947006
71.079002	2308.258057
85.101997	290.971008
86.097	13636.036133
125.0	3137.183105
150.287003	0.303
163.016006	4407.51416
181.026001	674.159973
184.072998	1252.750977
216.809006	25.268999
217.190994	300.878998
221.477005	411.040985
283.261993	169.871994
303.20401	535.97699
323.924011	0.225
347.851013	0.346
389.270996	0.346
392.10199	0.175
393.199005	0.138
396.891998	0.167
400.652008	0.349
415.171997	0.139
END IONS
BEGIN IONS
SCANS=1182
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1183
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1184
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1185
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1186
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1187
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1188
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1189
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1190
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1191
PEPMASS=482.32401
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	270.001007
58.066002	1929.399048
71.085999	172.369003
72.081001	2023.869019
76.075996	55.036999
95.085999	123.859001
170.057999	250.731003
184.072998	35.203999
219.238998	7.121
220.645996	96.039001
257.247009	19.447001
284.089996	6.135
303.20401	54.087002
310.308014	2.143
313.273987	407.14801
327.289001	269.876007
417.131012	2.276
END IONS
BEGIN IONS
SCANS=1192
PEPMASS=482.32401
CHARGE=1
COLLISION_ENERGY=0.0
51.323002	4.617
57.070999	5.424
60.081001	54.702999
86.097	206.281006
104.107002	352.787994
125.0	82.058998
163.016006	2.072
184.072998	1218.967041
218.085999	24.297001
246.106995	3.379
248.567993	5.26
258.110992	3.632
299.257996	14.015
303.194	5.582
380.558014	1.753
405.23999	2.542
END IONS
BEGIN IONS
SCANS=1193
PEPMASS=482.405
CHARGE=1
COLLISION_ENERGY=0.0
53.904999	46.147999
56.595001	65.603996
57.115002	43.027
89.059998	2494.060059
97.938004	37.209999
133.085999	1274.041992
199.447998	31.58
217.013	427.024994
221.477005	730.257996
241.095993	44.133999
279.692993	15.448
283.175995	115.653999
303.207001	85.459
383.084015	16.610001
END IONS
BEGIN IONS
SCANS=1194
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1195
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1196
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1197
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1198
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1199
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1200
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1201
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1202
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1203
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1204
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1205
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1206
PEPMASS=487.095
CHARGE=1
COLLISION_ENERGY=0.0
60.085999	30.973
66.627998	26.326
77.105003	19.896
81.758003	25.198
91.055	28.799
99.707001	24.011
147.251007	23.714001
221.503006	152.985001
244.863998	15.216
253.912003	28.59
311.993988	101.542999
314.01001	228.811996
326.01001	344.518005
327.018005	126.472
344.020996	216.095993
355.013	266.481995
400.062988	233.475998
410.046997	42.848999
END IONS
BEGIN IONS
SCANS=1207
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1208
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1209
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1210
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1211
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1212
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1213
PEPMASS=489.31299
CHARGE=1
COLLISION_ENERGY=0.0
51.908001	11.566
57.070999	166.632996
57.549999	41.789001
71.227997	48.078999
84.170998	42.549
136.052994	49.297001
147.117004	9.201
164.529007	40.043999
170.272003	40.208
216.785995	95.543999
221.473007	121.663002
240.973007	44.705002
265.063995	505.641998
299.919006	37.823002
303.207001	34.080002
321.125	590.312012
END IONS
BEGIN IONS
SCANS=1214
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1215
PEPMASS=490.22198
CHARGE=1
COLLISION_ENERGY=0.0
59.257	15.414
66.592003	27.594
71.050003	27.438999
72.081001	59.054001
81.675003	51.723999
85.028999	94.471001
116.161003	48.438999
131.085007	106.07
149.154007	54.573002
221.501999	369.356995
224.222	12.666
226.085999	1078.984009
227.625	6.706
253.108994	576.203979
285.003998	6.993
303.286011	55.271999
326.156006	153.514008
344.164001	114.327003
373.218994	13.654
380.07901	14.886
396.51001	56.216
END IONS
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SCANS=1216
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1217
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1218
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1219
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1220
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1221
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1222
PEPMASS=493.26801
CHARGE=1
COLLISION_ENERGY=0.0
53.553001	64.069
60.062	61.374001
64.837997	63.999001
72.081001	200.084
74.097	1100.656006
117.055	396.743988
147.320999	17.93
155.843994	59.564999
207.287003	9.747
216.018997	10.156
217.237	81.766998
221.490997	269.325012
241.087997	23.891001
269.104004	30.209
270.075989	42.740002
303.197998	133.181
314.654999	31.195999
327.127991	38.195999
337.298004	28.118
357.519989	12.046
370.144012	116.190002
382.063995	12.043
END IONS
BEGIN IONS
SCANS=1223
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1224
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1225
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1226
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1227
PEPMASS=496.34
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	186.455994
58.066002	342.147003
72.081001	4217.665039
86.097	355.598999
104.107002	1164.156982
125.0	115.898003
170.057999	178.794006
184.072998	2394.423096
217.190002	21.360001
218.106003	21.173
221.485001	316.953003
244.093994	14.411
244.533997	7.459
303.205994	141.906006
327.290009	775.328003
338.742004	6.553
340.320007	5.465
341.304993	30.584
397.556	4.457
407.174011	2.867
END IONS
BEGIN IONS
SCANS=1228
PEPMASS=496.42099
CHARGE=1
COLLISION_ENERGY=0.0
50.132999	28.139999
56.117001	42.345001
61.428001	62.508999
63.976002	72.024002
72.081001	107.274002
89.059998	1075.81897
133.085999	545.301025
145.938004	59.439999
177.110992	30.829
203.334	58.522999
216.899002	193.705002
221.479004	133.656998
260.277008	63.244999
276.812988	64.207001
283.174988	26.511999
303.209015	162.298996
363.536011	24.702999
END IONS
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SCANS=1229
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1230
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1231
PEPMASS=499.33401
CHARGE=1
COLLISION_ENERGY=0.0
55.319	73.910004
55.825001	54.818001
57.070999	301.957001
61.534	12.314
100.903	64.792999
143.162994	12.726
176.177002	13.071
221.460999	315.127991
247.912994	67.660004
258.015015	12.518
275.084015	295.223999
324.975006	13.504
331.145996	762.375977
END IONS
BEGIN IONS
SCANS=1232
PEPMASS=500.207
CHARGE=1
COLLISION_ENERGY=0.0
54.820999	20.902
74.712997	17.097
83.959999	15.299
91.055	71.009003
131.085999	99.475998
133.065002	17.125
192.701996	15.406
217.940994	96.638
219.412994	68.738998
237.115005	244.210999
248.106003	36.696999
249.115997	30.490999
291.123993	81.647003
341.178009	89.309998
354.183014	50.389999
356.162994	313.256989
380.165009	94.642998
382.156006	431.695007
END IONS
BEGIN IONS
SCANS=1233
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1234
PEPMASS=500.483
CHARGE=1
COLLISION_ENERGY=0.0
57.07	734.155029
69.070999	725.461975
71.085999	290.56601
93.07	817.218018
105.07	415.014008
107.085999	542.640991
133.100998	1037.996948
135.117004	373.967987
175.147995	78.807999
195.488007	38.612
221.464996	689.309998
230.190994	55.327
262.713989	35.061001
278.291992	28.782
303.20401	51.096001
352.356995	8.805
360.362	380.778992
362.377014	5.914
374.381012	8.189
414.406006	42.014
420.424011	8.967
432.419006	10.765
END IONS
BEGIN IONS
SCANS=1235
PEPMASS=501.11099
CHARGE=1
COLLISION_ENERGY=0.0
52.721001	21.972
64.875	15.005
75.992996	15.167
91.055	80.674004
103.348	14.081
116.227997	13.529
193.656006	16.823999
203.856003	17.997999
217.011002	479.667999
253.960999	17.766001
296.001007	22.444
303.20401	74.237999
314.010986	167.787003
326.011993	275.860992
327.016998	79.339996
344.020996	141.513
355.014008	275.88501
400.062988	168.955002
410.04599	87.967003
END IONS
BEGIN IONS
SCANS=1236
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1237
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1238
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1239
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1240
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1241
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1242
PEPMASS=502.22299
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	45.491001
72.081001	26.532
85.028999	155.774994
86.097	210.856995
88.075996	58.133999
91.055	24.761
163.007996	54.59
221.503006	54.067001
237.115005	161.514008
250.087006	349.197998
264.102997	114.339996
265.109985	464.940002
313.14801	21.733999
332.752014	17.149
338.154999	12.33
340.171997	43.691002
356.164001	786.284973
368.164001	11.183
END IONS
BEGIN IONS
SCANS=1243
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1244
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1245
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1246
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1247
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1248
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1249
PEPMASS=504.306
CHARGE=1
COLLISION_ENERGY=0.0
51.051998	26.589001
64.653999	26.934999
72.081001	811.333984
86.097	297.641998
104.107002	193.052002
125.0	49.987999
146.981995	51.736
163.014999	58.750999
176.992996	5.522
215.539993	3.36
217.850006	185.203995
219.800003	15.957
240.102005	26.716999
299.26001	32.694
303.196014	36.535999
358.169006	34.780998
382.298004	33.075001
399.733002	4.774
END IONS
BEGIN IONS
SCANS=1250
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1251
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1252
PEPMASS=506.21799
CHARGE=1
COLLISION_ENERGY=0.0
52.848999	9.885
57.070999	61.849998
71.068001	186.225998
85.028999	42.424
86.097	783.367981
91.055	78.380997
125.0	178.011993
163.016006	224.292999
184.072998	63.952
242.080994	91.606003
251.095001	51.862999
258.113007	36.664001
269.104004	106.733002
303.205994	53.912998
342.14801	589.788025
346.144012	474.440002
360.158997	549.789978
374.139008	3.863
376.153015	106.125999
402.165009	2.683
END IONS
BEGIN IONS
SCANS=1253
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1254
PEPMASS=506.36099
CHARGE=1
COLLISION_ENERGY=0.0
54.370998	51.194
57.070999	640.895996
71.077003	1192.928955
85.101997	86.528
86.097	8023.021973
95.085999	99.092003
125.0	1913.025024
163.014999	2448.799072
181.026001	383.393005
184.072998	752.731018
218.100998	146.923996
218.406998	74.247002
220.167007	26.245001
221.494003	507.795013
303.199005	356.303009
340.278992	2.274
348.699005	2.866
356.60199	2.506
357.121002	2.236
367.428986	1.803
406.640991	1.592
END IONS
BEGIN IONS
SCANS=1255
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1256
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1257
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1258
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1259
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1260
PEPMASS=508.34
CHARGE=1
COLLISION_ENERGY=0.0
60.082001	73.999001
63.437	5.657
71.073997	13.195
83.085999	14.967
86.097	208.996994
104.107002	655.413025
125.0	72.934998
127.193001	5.333
151.582993	4.575
153.503998	4.589
184.074005	830.09198
217.270004	38.071999
221.5	16.309
236.832001	4.416
243.085007	6.376
303.192993	6.694
303.574005	5.004
325.273987	4.703
364.977997	4.778
389.575989	4.659
419.756989	6.024
END IONS
BEGIN IONS
SCANS=1261
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1262
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1263
PEPMASS=510.21301
CHARGE=1
COLLISION_ENERGY=0.0
54.257999	11.91
57.034	11.65
71.050003	94.926003
85.028999	190.201996
91.055	60.353001
117.07	42.189999
129.054993	35.465
135.080994	86.810997
188.070999	138.033005
189.078995	13.73
202.087006	190.826996
219.591995	21.044001
230.080994	558.802002
280.132996	131.893005
303.213013	36.842999
304.134003	142.481003
322.144012	179.822998
339.399994	7.515
END IONS
BEGIN IONS
SCANS=1264
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1265
PEPMASS=510.35599
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	105.622002
60.081001	142.003006
72.081001	3321.501953
86.097	520.31897
104.107002	1838.073975
125.0	169.291
170.057999	90.601997
184.072998	2569.25293
218.102997	117.175003
218.317001	53.205002
218.699997	64.065002
244.095001	15.327
258.110992	22.002001
303.207001	177.182007
313.273987	2.048
327.289001	43.425999
340.970001	0.566
341.304993	461.252991
386.212006	1.5
433.269989	7.134
467.959015	0.157
END IONS
BEGIN IONS
SCANS=1266
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1267
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1268
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1269
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1270
PEPMASS=512.41699
CHARGE=1
COLLISION_ENERGY=0.0
53.883999	44.500999
57.070999	97.598999
67.279999	35.537998
71.085999	74.460999
81.833	45.622002
89.059998	952.09198
124.991997	43.209999
133.085999	437.830994
135.057999	42.123001
199.429001	36.459
216.001999	34.717999
225.091003	85.571999
END IONS
BEGIN IONS
SCANS=1271
PEPMASS=513.34998
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	155.815994
70.917	33.580002
71.538002	36.959999
72.086998	31.011999
96.917999	37.937
103.470001	32.174999
132.785004	32.327999
151.065002	16.73
221.457993	57.745998
289.097992	229.300995
303.210999	82.554001
345.161987	498.604004
377.768005	36.660999
389.709991	14.781
401.223999	648.077026
END IONS
BEGIN IONS
SCANS=1272
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1273
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1274
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1275
PEPMASS=514.49902
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	312.837006
69.07	80.893997
71.085999	197.440002
93.07	379.973999
105.07	107.759003
107.085999	304.993011
133.100998	194.195999
135.117004	87.370003
166.035995	76.177002
199.783997	67.144997
END IONS
BEGIN IONS
SCANS=1276
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1277
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1278
PEPMASS=515.32898
CHARGE=1
COLLISION_ENERGY=0.0
55.591999	8.366
57.070999	190.705002
63.779999	26.865
94.691002	26.266001
102.110001	26.014999
146.108994	27.754
166.177994	22.330999
191.014999	24.386999
197.037003	40.473999
215.046005	14.292
221.470001	120.232002
291.076996	344.653992
347.139008	356.110992
365.72699	24.049999
385.19101	87.107002
403.203003	473.63501
408.221008	7.531
441.252991	162.867004
453.612	9.537
END IONS
BEGIN IONS
SCANS=1279
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1280
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1281
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1282
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1283
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1284
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1285
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1286
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1287
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1288
PEPMASS=517.39398
CHARGE=1
COLLISION_ENERGY=0.0
50.408001	34.083
57.070999	27.542
63.087002	26.290001
70.070999	27.098
74.184998	26.961
83.261002	27.516001
119.186996	27.92
157.608994	27.625999
197.011002	80.209
213.007004	238.619995
214.985992	277.829987
221.457001	207.858002
229.001007	571.650024
247.011993	128.772995
282.475006	43.786999
303.209015	45.206001
END IONS
BEGIN IONS
SCANS=1289
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1290
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1291
PEPMASS=518.21802
CHARGE=1
COLLISION_ENERGY=0.0
50.763	25.743999
71.050003	23.752001
71.313004	19.493999
85.028999	116.221001
91.055	114.195999
131.085999	66.765999
193.884003	21.048
218.104996	49.195999
220.660004	75.685997
254.082001	43.025002
265.109985	108.519997
281.105011	66.291
291.125	56.765999
326.153992	81.674004
340.169006	66.629997
354.177002	92.103996
356.164001	376.971008
372.158997	314.11499
381.173004	51.401001
END IONS
BEGIN IONS
SCANS=1292
PEPMASS=518.32098
CHARGE=1
COLLISION_ENERGY=0.0
57.733002	9.148
59.562	11.004
61.189999	11.343
72.082001	1679.723022
111.464996	12.17
140.953995	7.823
154.147995	11.39
169.667999	9.292
176.737	14.339
217.169006	65.057999
219.167999	62.928001
236.576996	12.706
269.149994	7.722
303.20401	39.221001
END IONS
BEGIN IONS
SCANS=1293
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1294
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1295
PEPMASS=518.49298
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	963.445984
69.07	674.103027
71.085999	320.911011
93.07	958.437012
100.075996	899.942017
133.100998	1059.099976
135.117004	863.133972
175.147995	155.175003
217.324005	183.371994
221.470993	246.964005
229.001007	142.764999
234.048004	46.82
283.696014	14.972
303.203003	662.612976
349.371002	27.497999
360.362	498.209991
362.377991	157.050003
366.372009	392.498993
381.299011	31.674
414.411011	60.051998
432.42099	101.772003
439.488007	11.471
447.776001	5.185
476.201996	3.809
END IONS
BEGIN IONS
SCANS=1296
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1297
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1298
PEPMASS=519.13898
CHARGE=1
COLLISION_ENERGY=0.0
54.070999	75.811996
59.764	49.516998
70.178001	51.686001
84.879997	51.247002
91.057999	216.598999
111.638	56.181
135.128998	47.813999
146.949005	48.422001
167.056	264.800995
219.035995	36.973
221.067001	195.807999
221.470001	173.429993
247.936005	42.791
299.061005	404.30899
303.186005	62.227001
432.015991	55.431
END IONS
BEGIN IONS
SCANS=1299
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1300
PEPMASS=520.19702
CHARGE=1
COLLISION_ENERGY=0.0
51.366001	86.404999
56.263	46.110001
70.970001	143.057999
85.028999	73.995003
86.097	76.348999
91.055	687.846985
129.065994	68.107002
162.054993	55.755001
200.070007	103.234001
216.972	104.191002
221.505005	109.939003
228.065994	172.910995
256.061005	440.78299
313.108002	100.220001
328.132996	136.658997
346.144012	41.636002
356.127991	799.741028
358.141998	39.028999
374.139008	247.138
404.149994	8.39
416.14801	3.725
428.151001	2.396
447.066986	2.136
456.182007	2.002
END IONS
BEGIN IONS
SCANS=1301
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1302
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1303
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1304
PEPMASS=520.50897
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	201.432007
71.085999	157.028
81.07	118.239998
82.066002	98.999001
83.072998	164.649994
100.075996	840.218018
162.621002	8.72
169.468994	10.142
177.164001	5.609
218.188995	2.177
236.201004	4.281
243.684006	9.704
278.61499	10.243
300.326996	2.97
303.201996	50.226002
348.362	13.8
349.371002	5.003
360.362	3.729
365.005005	2.05
366.373993	283.38501
414.006989	3.524
END IONS
BEGIN IONS
SCANS=1305
PEPMASS=521.20599
CHARGE=1
COLLISION_ENERGY=0.0
50.319	30.875
60.377998	26.341999
63.891998	24.549999
67.391998	27.271999
100.641998	19.816999
101.095001	31.077
156.841995	20.091
207.192001	24.896999
219.949997	65.901001
220.574997	116.325996
229.024994	35.818001
267.078003	330.692993
281.05899	57.619999
285.088989	350.087006
311.067993	368.328003
329.088013	377.709991
332.072998	34.771999
END IONS
BEGIN IONS
SCANS=1306
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1307
PEPMASS=522.21198
CHARGE=1
COLLISION_ENERGY=0.0
55.511002	23.169001
67.596001	17.341999
80.387001	14.036
91.055	81.541
106.609001	19.23
130.313004	19.732
153.878006	21.077
214.085999	223.873993
215.093994	243.376007
217.574005	117.213997
242.080994	261.450989
243.089005	1273.60498
303.200012	166.658997
352.153015	23.9
357.446991	18.343
358.141998	68.080002
362.138	30.254999
376.153992	180.600006
END IONS
BEGIN IONS
SCANS=1308
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1309
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1310
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1311
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1312
PEPMASS=522.34302
CHARGE=1
COLLISION_ENERGY=0.0
56.786999	19.479
62.841999	4.158
72.081001	19.499001
97.065002	276.302002
98.097	65.727997
116.070999	68.466003
123.081001	829.447021
137.095993	57.971001
158.117004	305.901001
217.481995	4.135
233.154007	197.897003
272.184998	11.919
274.502014	4.123
286.200012	5.292
291.003998	16.313
303.199005	91.664001
342.226013	6.675
344.315002	5.6
358.317993	5.439
END IONS
BEGIN IONS
SCANS=1313
PEPMASS=522.35498
CHARGE=1
COLLISION_ENERGY=0.0
51.209	7.143
60.081001	66.725998
69.070999	7.373
86.097	221.220993
104.107002	669.69397
106.009003	7.384
125.0	66.153999
146.001999	4.576
184.072998	845.848999
221.501999	21.52
225.074005	4.988
241.403	5.487
303.200989	48.956001
331.894012	6.881
339.291992	5.899
361.556	10.15
END IONS
BEGIN IONS
SCANS=1314
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1315
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1316
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1317
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1318
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1319
PEPMASS=524.37097
CHARGE=1
COLLISION_ENERGY=0.0
51.236	33.849998
60.082001	168.395004
72.082001	614.721985
86.097	570.997986
104.107002	1774.58606
105.111	34.027
125.0	219.151001
184.072998	2760.781982
185.076996	37.771
186.070999	32.877998
217.498001	136.285995
218.809006	16.143
221.485001	160.998001
287.97699	13.582
303.208008	58.460999
327.290985	15.559
341.304993	18.421
355.319	40.890999
384.871002	10.236
413.109009	4.64
END IONS
BEGIN IONS
SCANS=1320
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1321
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1322
PEPMASS=526.34998
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	75.038002
58.066002	192.029999
71.085999	62.889999
88.075996	164.792999
95.085999	17.410999
106.086998	510.59201
125.0	16.403999
163.016006	15.703
184.074005	1.844
186.052994	567.690002
217.162994	6.702
221.496994	12.927
227.201004	3.5
242.078995	1.397
260.089996	22.444
285.281006	1.073
297.277008	0.702
303.216003	1.01
341.304993	314.815002
355.644989	11.034
END IONS
BEGIN IONS
SCANS=1323
PEPMASS=526.43201
CHARGE=1
COLLISION_ENERGY=0.0
68.411003	61.648998
74.07	48.117001
74.679001	60.192001
83.306	145.531006
89.059998	1704.567017
93.879997	54.241001
133.085999	729.054993
147.440994	35.651001
162.119995	69.952003
177.113007	48.998001
218.320007	89.977997
223.916	20.410999
243.052994	39.556
258.217987	24.608999
303.209015	354.841003
316.002014	23.983999
327.153015	168.468002
331.835999	19.287001
341.670013	22.278
END IONS
BEGIN IONS
SCANS=1324
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1325
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1326
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1327
PEPMASS=528.375
CHARGE=1
COLLISION_ENERGY=0.0
50.415001	45.316002
57.111	27.833
105.096001	87.184998
133.100998	683.916016
143.085999	227.653
145.029007	106.455002
157.100998	322.260986
171.117004	229.692993
173.132996	258.997009
209.132004	43.433998
216.792007	302.834015
221.132004	28.657
233.380005	28.837
276.319	24.808001
303.197998	306.998993
415.251007	8.673
472.302002	7.957
498.524994	7.951
END IONS
BEGIN IONS
SCANS=1328
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1329
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1330
PEPMASS=529.33801
CHARGE=1
COLLISION_ENERGY=0.0
67.690002	44.908001
71.085999	127.227997
72.843002	28.757
83.050003	757.632019
101.059998	444.934998
127.075996	484.730011
132.412003	31.063999
145.085999	118.630997
148.395004	35.465
218.757996	143.179993
222.220001	12.52
244.992996	24.778999
251.164001	190.276001
258.796997	27.365999
287.651001	11.922
291.640991	11.398
303.204987	308.143005
END IONS
BEGIN IONS
SCANS=1331
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1332
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1333
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1334
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1335
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1336
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1337
PEPMASS=532.23297
CHARGE=1
COLLISION_ENERGY=0.0
64.089996	25.448
67.946999	20.716999
71.050003	52.986
85.028999	410.420013
91.055	81.713997
102.254997	21.742001
155.326004	6.701
156.098007	5.544
194.576996	5.712
217.501007	6.624
219.423004	30.716
221.492996	64.074997
264.10199	87.785004
267.126007	92.017998
279.125	78.817001
280.096008	96.237
295.119995	267.514008
358.178009	41.344002
368.164001	8.626
370.182007	462.144989
386.174988	921.236023
387.182007	55.354
400.183014	8.092
END IONS
BEGIN IONS
SCANS=1338
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1339
PEPMASS=532.33801
CHARGE=1
COLLISION_ENERGY=0.0
50.557999	25.089001
54.151001	16.124001
71.085999	45.882
86.097	222.75
104.107002	1001.343018
109.598999	18.948
146.981995	230.194
156.227005	5.616
169.041	17.059
216.145996	4.664
217.216003	40.935001
217.557007	151.929993
303.195007	40.191002
312.273987	19.327999
327.290009	116.150002
396.636993	6.602
429.240997	6.867
END IONS
BEGIN IONS
SCANS=1340
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1341
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1342
PEPMASS=532.50897
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	207.169006
69.070999	324.261993
71.160004	150.505997
93.07	230.944
100.075996	904.619019
107.085999	156.910004
135.117004	119.394997
147.520996	52.025002
206.455994	46.265999
221.460007	571.062012
223.761002	17.379
238.401001	25.065001
303.205994	382.588989
378.375	66.480003
380.386993	151.481003
386.171997	34.245998
387.006012	20.492001
400.473999	21.23
422.880005	27.820999
446.43399	31.957001
END IONS
BEGIN IONS
SCANS=1343
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1344
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1345
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1346
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1347
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1348
PEPMASS=534.21301
CHARGE=1
COLLISION_ENERGY=0.0
53.473999	38.400002
69.623001	40.720001
71.314003	37.648998
82.022003	38.5
86.097	118.014
100.567001	37.320999
139.097	34.729
151.858994	36.665001
166.195007	26.111
176.753998	26.805
204.972	38.997002
217.309006	217.003998
252.102997	44.262001
265.109985	47.611
280.098999	39.948002
281.102997	31.763
303.196991	204.048004
307.118988	113.949997
356.162994	34.433998
370.178986	113.869003
372.158997	389.606995
398.174011	126.809998
END IONS
BEGIN IONS
SCANS=1349
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1350
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1351
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1352
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1353
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1354
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1355
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1356
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1357
PEPMASS=536.16602
CHARGE=1
COLLISION_ENERGY=0.0
50.919998	55.104
52.153999	41.776001
60.285	71.018997
69.761002	54.964001
73.046997	617.421997
91.057999	1180.180054
137.108002	13.728
148.089996	10.042
149.044998	174.141006
167.054993	2518.065918
217.106995	42.250999
218.423996	49.516998
220.048004	37.900002
220.865997	180.039001
221.473999	1186.600952
297.536987	11.66
299.062012	4805.605957
303.20401	715.210999
344.976013	451.924011
371.148987	10.286
372.149994	17.735001
401.412994	8.731
451.667999	8.466
END IONS
BEGIN IONS
SCANS=1358
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1359
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1360
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1361
PEPMASS=536.22803
CHARGE=1
COLLISION_ENERGY=0.0
67.055	22.681999
69.033997	93.045998
91.055	380.472992
95.050003	55.133999
113.059998	134.735992
129.070007	26.862
131.070007	78.426003
156.408997	15.282
167.056	54.028999
200.070007	35.886002
216.929001	34.666
221.746002	53.532001
241.072998	47.609001
256.074005	334.687988
278.080994	29.731001
299.061005	122.662003
313.108002	20.691
328.132996	83.633003
356.127991	665.97699
372.158997	174.397995
374.139008	1366.494019
414.200989	4.207
END IONS
BEGIN IONS
SCANS=1362
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1363
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1364
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1365
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1366
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1367
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1368
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1369
PEPMASS=538.20697
CHARGE=1
COLLISION_ENERGY=0.0
59.845001	34.77
71.050003	324.559998
85.028999	433.213989
91.055	361.343994
107.050003	85.628998
117.098999	38.008999
135.080994	62.047001
202.085999	78.022003
218.425003	83.829002
228.065002	65.521004
230.080994	316.083008
240.065994	75.193001
258.075989	1192.745972
286.106995	134.220001
301.058014	89.519997
303.205994	131.757004
328.132996	55.797001
356.128998	87.322998
360.157013	27.99
374.138	1264.766968
376.153992	15.689
392.14801	1182.612061
END IONS
BEGIN IONS
SCANS=1370
PEPMASS=538.34998
CHARGE=1
COLLISION_ENERGY=0.0
60.081001	33.255001
72.081001	136.395996
86.097	176.507996
104.107002	131.669998
125.0	39.712002
143.688004	32.716999
170.057007	99.622002
184.072998	1166.871948
221.492996	69.629997
301.05899	46.448002
END IONS
BEGIN IONS
SCANS=1371
PEPMASS=538.388
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	18.950001
60.081001	16.694
72.081001	145.854996
86.097	145.112
104.107002	463.078003
125.0	64.377998
131.528	14.803
170.057999	136.167999
184.072998	648.270996
212.251999	13.771
217.947006	93.212997
221.494995	13.754
257.531006	14.056
303.204987	38.528
343.743011	4.225
369.300995	95.612
375.178986	4.973
378.348999	4.354
397.497009	17.312
END IONS
BEGIN IONS
SCANS=1372
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1373
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1374
PEPMASS=540.354
CHARGE=1
COLLISION_ENERGY=0.0
56.511002	25.511999
57.389	17.384001
72.081001	308.987
87.044998	170.429001
98.097	434.062012
116.084999	944.059998
123.080002	114.303001
158.117996	1684.453003
184.237	12.238
218.022995	95.420998
220.860001	37.122002
221.488998	80.366997
234.539001	10.953
267.660004	3.36
303.196991	10.368
END IONS
BEGIN IONS
SCANS=1375
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1376
PEPMASS=540.42603
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	14.269
65.793999	14.544
80.892998	15.527
81.07	132.5
84.081001	72.991997
102.092003	307.696991
123.116997	268.584991
160.483002	14.891
166.589005	0.964
179.897995	1.035
221.503998	46.518002
241.141998	2.299
246.712997	14.341
269.247009	101.785004
283.263	277.010986
303.190002	27.268
314.096985	15.499
326.304993	261.747009
340.321014	341.572998
366.337006	14.102
END IONS
BEGIN IONS
SCANS=1377
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1378
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1379
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1380
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1381
PEPMASS=544.349
CHARGE=1
COLLISION_ENERGY=0.0
51.446999	44.088001
58.066002	261.885986
84.081001	242.531006
87.044998	170.223999
102.071999	677.36499
123.080002	45.091
144.102005	1254.494019
158.688995	19.150999
184.410004	24.285999
210.018997	23.412001
220.134995	68.612999
221.477005	103.306999
END IONS
BEGIN IONS
SCANS=1382
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1383
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1384
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1385
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1386
PEPMASS=546.24902
CHARGE=1
COLLISION_ENERGY=0.0
57.034	11.542
65.012001	8.709
85.028999	324.071014
86.821999	9.135
89.382004	10.144
99.043999	33.692001
128.093002	9.993
155.085007	2.24
161.082001	3.026
209.095993	5.269
217.246994	15.231
217.557999	60.890999
264.102997	58.404999
267.126007	38.493
279.127014	63.174999
280.096985	43.528999
295.121002	131.399002
358.182007	35.370998
368.165009	16.068001
370.179993	296.701996
386.174988	707.198975
387.183014	13.124
398.178986	22.09
END IONS
BEGIN IONS
SCANS=1387
PEPMASS=546.354
CHARGE=1
COLLISION_ENERGY=0.0
55.152	14.278
63.495998	15.42
69.014	14.74
71.085999	43.256001
86.097	234.212006
104.107002	1010.252991
146.981995	226.921997
179.811996	8.139
187.431	17.052
196.940002	15.556
217.164993	135.278
222.162994	25.875999
245.710007	17.073999
303.19101	28.816999
338.681	8.228
341.304993	100.561996
364.006989	9.417
381.997009	8.149
459.298004	24.523001
END IONS
BEGIN IONS
SCANS=1388
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1389
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1390
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1391
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1392
PEPMASS=548.229
CHARGE=1
COLLISION_ENERGY=0.0
50.958	52.16
93.388	44.757999
217.048004	426.976013
219.052002	343.324005
265.106995	91.275002
268.100006	81.087997
276.037994	41.678001
293.104004	348.90799
303.205994	277.528992
341.140991	87.793999
366.148987	77.760002
378.824005	82.329002
END IONS
BEGIN IONS
SCANS=1393
PEPMASS=548.22803
CHARGE=1
COLLISION_ENERGY=0.0
50.223	14.545
60.764	26.149
69.112	25.487
79.899002	11.124
97.652	28.707001
101.168999	24.433001
139.427002	24.063
144.123993	27.885
146.535004	29.441999
164.904999	11.152
217.276993	215.807007
218.367996	64.779999
267.126007	53.143002
279.126007	131.869003
295.119995	108.528999
303.209015	53.797001
370.179993	411.20401
384.196991	35.508999
386.174011	346.091003
398.173004	37.139
402.17099	58.644001
410.174011	89.780998
END IONS
BEGIN IONS
SCANS=1394
PEPMASS=548.229
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	76.43
85.028999	247.341995
91.055	179.408997
99.044998	100.273003
101.059998	25.862
111.044998	21.922001
143.070007	16.030001
175.013	11.435
216.860992	96.026001
221.492996	32.560001
241.072998	37.544998
251.093994	40.214001
256.061005	50.611
279.088013	67.921997
328.131012	20.381001
342.148987	38.905998
356.127991	210.214005
370.144012	574.744995
END IONS
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SCANS=1396
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SCANS=1397
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SCANS=1398
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SCANS=1399
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SCANS=1400
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SCANS=1401
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SCANS=1402
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SCANS=1403
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SCANS=1404
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SCANS=1405
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SCANS=1406
PEPMASS=0.0
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BEGIN IONS
SCANS=1407
PEPMASS=552.22302
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	284.727997
85.028999	608.226013
91.055	550.369019
99.044998	142.572998
107.049004	46.083
129.061996	61.810001
162.054993	39.047001
200.070999	144.117004
241.074005	74.07
256.071991	787.197021
258.075989	226.516998
284.091003	114.102997
303.200012	120.599998
328.134003	157.477005
356.127991	704.968018
372.122986	232.382996
374.139008	2377.435059
390.132996	459.144012
406.166992	18.157
431.678986	4.43
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SCANS=1408
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SCANS=1409
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SCANS=1410
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SCANS=1411
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BEGIN IONS
SCANS=1412
PEPMASS=552.36603
CHARGE=1
COLLISION_ENERGY=0.0
54.278	27.485001
55.147999	8.117
60.081001	84.672997
86.097	278.329987
106.959	18.094
125.0	158.798004
127.394997	17.323999
129.123993	17.479
184.072998	2105.809082
217.862	145.880997
219.451004	23.025999
221.485001	13.68
229.264999	10.315
240.735001	5.203
303.203003	52.831001
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SCANS=1413
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SCANS=1414
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SCANS=1415
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SCANS=1416
PEPMASS=0.0
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SCANS=1417
PEPMASS=554.23901
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	36.153
67.234001	11.46
71.050003	80.397003
85.028999	253.791
91.054001	88.829002
99.044998	80.376999
129.065002	30.893999
147.048996	13.827
192.658005	12.874
221.514999	19.808001
230.080994	11.891
242.080994	83.978996
243.087997	37.747002
285.100006	236.653
303.200989	53.803001
334.144012	13.035
358.144012	217.005997
376.153992	637.211975
390.174988	21.052
394.165009	26.511999
END IONS
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SCANS=1418
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SCANS=1419
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SCANS=1420
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SCANS=1421
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SCANS=1422
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SCANS=1423
PEPMASS=0.0
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BEGIN IONS
SCANS=1424
PEPMASS=556.44202
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	67.643997
57.240002	34.417
67.185997	34.452
71.085999	77.098
89.059998	946.789001
112.385002	35.199001
133.085999	366.372986
138.197006	22.987
177.113007	34.682999
221.479996	207.473007
268.893005	33.722
303.187988	38.563
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SCANS=1425
PEPMASS=0.0
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SCANS=1426
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SCANS=1427
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SCANS=1428
PEPMASS=0.0
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SCANS=1429
PEPMASS=0.0
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BEGIN IONS
SCANS=1430
PEPMASS=558.36401
CHARGE=1
COLLISION_ENERGY=0.0
57.301998	17.43
59.049999	82.223999
72.081001	560.981018
87.044998	270.967987
98.097	700.807983
116.088997	1559.996948
123.081001	138.432999
158.117996	2401.042969
176.128006	10.625
217.628998	124.801003
218.421997	10.333
220.018005	9.129
233.153	23.202999
270.984985	8.493
285.515015	1.888
291.352997	1.916
303.213013	38.074001
344.585999	10.092
348.964996	1.908
408.273987	1.12
464.302002	0.487
END IONS
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SCANS=1431
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=1432
PEPMASS=0.0
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SCANS=1433
PEPMASS=0.0
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SCANS=1434
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1435
PEPMASS=0.0
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SCANS=1436
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SCANS=1437
PEPMASS=0.0
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SCANS=1438
PEPMASS=0.0
CHARGE=0
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END IONS
BEGIN IONS
SCANS=1439
PEPMASS=563.55103
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	127.727997
69.070999	214.373993
83.085999	231.962006
95.085999	127.652
97.101997	205.395996
111.116997	102.162003
135.117004	98.780998
149.132996	84.294998
163.147995	17.962999
191.179001	8.897
217.460007	38.209999
220.830994	5.704
247.242004	153.382004
265.252014	128.524002
282.278992	395.411987
303.20401	15.623
END IONS
BEGIN IONS
SCANS=1440
PEPMASS=564.20203
CHARGE=1
COLLISION_ENERGY=0.0
52.938999	19.993
63.657001	16.344999
72.081001	20.629
78.171997	17.17
91.055	149.658005
135.166	17.017
162.798996	16.24
184.074005	88.598999
202.524994	19.914
217.440994	30.721001
220.766006	44.419998
221.494003	47.154999
289.075012	39.509998
290.082001	47.633999
303.161987	54.271
318.075012	261.890015
346.071014	517.09198
359.151001	460.661011
370.066986	162.710007
385.093994	309.920013
398.101013	448.59201
441.118988	14.505
456.122009	7.318
472.153015	13.591
490.165009	55.881001
504.178009	8.384
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SCANS=1441
PEPMASS=0.0
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SCANS=1442
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SCANS=1443
PEPMASS=0.0
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SCANS=1444
PEPMASS=0.0
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SCANS=1445
PEPMASS=0.0
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SCANS=1446
PEPMASS=0.0
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SCANS=1447
PEPMASS=0.0
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BEGIN IONS
SCANS=1448
PEPMASS=566.23901
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	163.199997
71.050003	232.485001
85.030998	1290.805054
87.044998	131.421997
91.055	799.025024
99.043999	664.294983
143.070007	26.837999
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217.270004	68.723999
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255.089005	177.345993
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328.132996	135.563004
332.127991	138.052002
356.127991	756.476013
374.139008	1280.250977
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SCANS=1449
PEPMASS=0.0
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SCANS=1450
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SCANS=1451
PEPMASS=0.0
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SCANS=1452
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1453
PEPMASS=568.21802
CHARGE=1
COLLISION_ENERGY=0.0
51.046001	44.347
57.034	38.129002
71.050003	427.90799
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91.055	240.425003
107.050003	128.197998
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200.070007	83.584
217.891006	41.099998
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411.161011	6.379
422.160004	17.945999
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BEGIN IONS
SCANS=1454
PEPMASS=568.45697
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	16.093
59.389999	26.822001
81.07	177.082993
84.081001	92.474998
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102.092003	272.436005
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SCANS=1455
PEPMASS=0.0
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SCANS=1457
PEPMASS=0.0
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SCANS=1458
PEPMASS=0.0
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SCANS=1459
PEPMASS=0.0
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SCANS=1460
PEPMASS=0.0
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SCANS=1461
PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=1462
PEPMASS=570.45898
CHARGE=1
COLLISION_ENERGY=0.0
53.006001	30.521999
59.049999	64.720001
63.046001	38.860001
78.920998	40.159
89.059998	1175.862061
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285.53299	25.551001
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320.122986	25.851999
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SCANS=1463
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
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SCANS=1464
PEPMASS=0.0
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SCANS=1465
PEPMASS=0.0
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SCANS=1466
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
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SCANS=1467
PEPMASS=573.37299
CHARGE=1
COLLISION_ENERGY=0.0
51.949001	34.103001
64.386002	52.057999
74.125	43.294998
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100.719002	47.651001
119.085999	212.014999
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PEPMASS=0.0
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SCANS=1470
PEPMASS=0.0
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SCANS=1471
PEPMASS=0.0
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SCANS=1472
PEPMASS=0.0
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SCANS=1473
PEPMASS=0.0
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SCANS=1474
PEPMASS=0.0
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SCANS=1475
PEPMASS=0.0
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SCANS=1476
PEPMASS=0.0
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END IONS
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SCANS=1477
PEPMASS=576.37402
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	15.438
72.081001	181.302002
87.044998	32.194
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PEPMASS=0.0
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PEPMASS=0.0
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SCANS=1483
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1484
PEPMASS=580.25403
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	105.776001
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91.055	154.610992
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SCANS=1487
PEPMASS=582.23401
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	97.746002
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SCANS=1496
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SCANS=1497
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SCANS=1498
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SCANS=1499
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BEGIN IONS
SCANS=1506
PEPMASS=584.47198
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	103.188004
57.384998	35.041
61.396	34.861
71.085999	55.634998
89.059998	758.773987
122.209	36.998001
133.085999	357.048004
146.117996	30.23
177.112	56.321999
221.479004	157.386002
303.203003	228.272995
343.855988	62.688
END IONS
BEGIN IONS
SCANS=1507
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1508
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1509
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1510
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1511
PEPMASS=588.21997
CHARGE=1
COLLISION_ENERGY=0.0
61.424	36.799
63.380001	6.493
80.696999	6.532
87.074997	16.674999
117.889	17.302
120.352997	23.417999
133.727997	18.636999
150.761002	18.282
154.132004	18.173
179.141006	21.237
217.300995	197.444
221.298004	68.084
254.376007	29.115999
295.080994	20.274
303.187988	98.489998
309.061005	6.391
321.727997	22.837
392.125	71.086998
407.152008	50.456001
424.151001	300.709015
428.147003	1828.628052
440.652008	7.613
442.126007	79.503998
END IONS
BEGIN IONS
SCANS=1512
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1513
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1514
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1515
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1516
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1517
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1518
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1519
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1520
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1521
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1522
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1523
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1524
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1525
PEPMASS=595.25702
CHARGE=1
COLLISION_ENERGY=0.0
58.066002	283.018005
59.074001	344.903992
71.073997	64.038002
72.081001	1004.195007
86.097	377.226013
104.107002	348.450012
115.914001	38.68
130.897003	20.940001
184.072998	101.815002
189.602005	24.504
217.134995	33.203999
220.197006	110.099998
221.503006	67.393997
239.001007	83.783997
273.184998	29.343
280.778992	26.702
301.001007	596.338989
303.201996	36.831001
337.554993	27.740999
341.169006	34.327
357.028015	8.974
459.266998	24.910999
494.230011	7.181
509.21701	5.677
END IONS
BEGIN IONS
SCANS=1526
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1527
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1528
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1529
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1530
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1531
PEPMASS=596.24902
CHARGE=1
COLLISION_ENERGY=0.0
72.839996	22.816
78.082001	18.252001
91.055	52.708
103.806999	18.121
105.07	48.363998
106.932999	21.065001
186.149994	17.535999
192.065994	4.839
216.983994	31.691
221.858994	52.860001
256.061005	14.104
271.083008	19.693001
285.096985	49.049
286.071014	62.834999
343.119995	59.403999
371.11499	21.93
376.153992	6.78
386.139008	137.139008
404.149994	1293.703003
END IONS
BEGIN IONS
SCANS=1532
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1533
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1534
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1535
PEPMASS=597.28003
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	174.332001
77.612	43.831001
80.819	42.457001
85.028999	205.158005
91.055	256.088989
97.721001	49.708
155.190002	46.966999
162.266006	41.786999
173.985992	49.134998
191.201996	47.882
192.653	45.480999
217.367996	67.358002
237.451996	41.842999
241.072998	17.580999
254.854996	8.656
256.087006	238.712997
303.199005	220.757004
318.890015	61.791
328.134003	27.506001
356.127991	244.531006
END IONS
BEGIN IONS
SCANS=1536
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1537
PEPMASS=600.104
CHARGE=1
COLLISION_ENERGY=0.0
50.540001	61.589001
51.480999	34.733002
54.264999	73.542
89.059998	408.009003
98.005997	131.130997
104.130997	78.426003
133.085999	58.166
154.270996	17.862
179.738007	27.103001
186.022003	4296.667969
217.035004	318.18399
218.255997	6.338
221.483994	1055.751953
262.877991	20.653
303.201996	2229.760986
310.950989	6.233
311.472992	2.385
366.799988	2.145
375.048004	45.805
377.507996	2.046
390.921997	3.698
397.07901	2.753
456.066986	408.234985
456.696014	1.559
497.876007	2.415
504.690002	3.884
520.072998	1.627
538.213989	2.747
555.077026	1.577
559.070984	1.406
576.129028	1.176
583.078003	11117.40625
617.106018	1.997
END IONS
BEGIN IONS
SCANS=1538
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1539
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1540
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1541
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1542
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1543
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1544
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1545
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1546
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1547
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1548
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1549
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1550
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1551
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1552
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1553
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1554
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1555
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1556
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1557
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1558
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1559
PEPMASS=609.27301
CHARGE=1
COLLISION_ENERGY=0.0
58.066002	191.901001
59.074001	224.653
60.082001	20.363001
78.403999	15.06
86.097	228.600998
104.107002	221.380005
156.343994	14.383
156.550995	10.34
164.222	14.051
176.037003	12.08
184.072998	111.611
218.940994	82.417999
219.934998	39.903999
241.927002	58.405998
256.002991	85.235001
283.998993	73.549004
297.953003	17.705999
301.0	374.696014
303.20401	23.106001
330.039001	16.743
463.234009	16.326
473.277008	79.650002
END IONS
BEGIN IONS
SCANS=1560
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1561
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1562
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1563
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1564
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1565
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1566
PEPMASS=614.48401
CHARGE=1
COLLISION_ENERGY=0.0
58.502998	31.429001
66.405998	37.939999
89.059998	818.888977
92.860001	34.560001
97.762001	36.132
124.703003	33.306999
133.085999	341.608002
177.113007	42.117001
183.177994	25.436001
202.158997	40.926998
221.479996	231.813004
299.324005	36.923
303.203003	37.445999
320.786011	50.799
445.923004	30.559999
END IONS
BEGIN IONS
SCANS=1567
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1568
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1569
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1570
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1571
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1572
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1573
PEPMASS=618.11499
CHARGE=1
COLLISION_ENERGY=0.0
51.890999	71.598999
57.603001	47.688
76.931999	45.987
80.698997	44.688
82.846001	49.596001
83.039001	63.804001
172.388	57.896999
180.102005	39.734001
182.014008	49.980999
195.362	45.747002
208.970001	62.764
218.807007	298.308014
303.209015	747.39502
315.432007	49.261002
392.119995	57.174
392.727997	60.300999
549.091003	609.179016
567.10199	555.747986
END IONS
BEGIN IONS
SCANS=1574
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1575
PEPMASS=618.11499
CHARGE=1
COLLISION_ENERGY=0.0
51.081001	62.293999
53.546001	66.695
57.303001	58.625
57.534	64.286003
62.363998	57.115002
79.806999	80.329002
145.770996	53.208
149.100998	65.227997
157.589996	70.463997
164.410004	54.438999
166.287994	56.668999
221.503998	656.45697
280.139008	53.341999
393.600006	77.413002
525.664978	57.647999
549.091003	316.18399
END IONS
BEGIN IONS
SCANS=1576
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1577
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1578
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1579
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1580
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1581
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1582
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1583
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1584
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1585
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1586
PEPMASS=623.28802
CHARGE=1
COLLISION_ENERGY=0.0
56.578999	34.705002
58.066002	147.113007
59.074001	156.520004
86.097	198.863007
103.685997	34.528
104.108002	236.520996
148.707001	32.389999
151.535995	30.294001
184.072998	150.904007
216.796997	252.035004
221.466995	68.218002
231.029007	33.618999
271.126007	30.993
301.001007	287.819
303.195007	74.030998
END IONS
BEGIN IONS
SCANS=1587
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1588
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1589
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1590
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1591
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1592
PEPMASS=629.25
CHARGE=1
COLLISION_ENERGY=0.0
55.862999	24.643
56.743	35.403
58.000999	36.602001
60.582001	30.440001
67.445	30.976999
68.778	35.179001
115.422997	32.674
127.714996	34.210999
157.542007	20.9
159.270004	34.752998
159.449005	28.499001
204.429001	23.112
217.134003	300.976013
221.860001	57.839001
242.384003	39.616001
278.080994	24.864
280.096008	95.492996
303.210999	84.536003
305.105011	49.938999
306.113007	22.860001
307.121002	54.208
366.246002	20.752001
370.181	44.619999
372.158997	319.796997
396.158997	171.929001
397.165985	68.085999
398.174988	217.438004
END IONS
BEGIN IONS
SCANS=1593
PEPMASS=631.16803
CHARGE=3
COLLISION_ENERGY=0.0
147.606995	110.377998
152.973007	71.773003
175.132996	55.630001
190.867996	53.581001
218.75	174.878998
221.457993	431.220001
264.268005	1658.968018
265.270996	846.53302
303.20401	704.632996
303.584015	33.185001
345.238007	35.776001
362.023987	45.181999
408.61499	36.791
412.002991	33.176998
686.645996	46.089001
695.455994	52.577
735.106018	44.541
911.164978	48.995998
921.390991	49.619999
1094.787964	49.092999
1095.040039	44.928001
END IONS
BEGIN IONS
SCANS=1594
PEPMASS=631.5
CHARGE=3
COLLISION_ENERGY=0.0
138.462006	90.57
175.134003	65.246002
180.854004	61.040001
221.459	614.776001
264.268005	294.328003
265.269012	69.212997
270.165009	77.040001
300.614014	60.105999
303.196991	65.564003
306.718994	75.119003
379.088013	99.261002
413.244995	76.450996
466.15799	55.826
480.608002	82.525002
786.893982	88.461998
993.33197	124.473
END IONS
BEGIN IONS
SCANS=1595
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1596
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1597
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1598
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1599
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1600
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1601
PEPMASS=636.28101
CHARGE=1
COLLISION_ENERGY=0.0
57.034	21.497999
57.707001	17.021999
71.050003	102.764999
72.842003	38.019001
85.028999	268.59201
87.420998	41.029999
129.054993	19.125
131.085999	171.541
142.054993	12.793
173.106995	48.813
184.074005	61.404999
206.942993	40.787998
221.113007	144.938995
226.085999	528.877014
253.108994	141.069
289.507996	12.273
303.214996	22.566999
310.848999	13.214
343.157013	28.531
344.162994	132.748001
356.165009	31.437
368.161987	18.927999
386.17099	18.445
410.173004	16.638
END IONS
BEGIN IONS
SCANS=1602
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1603
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1604
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1605
PEPMASS=636.55701
CHARGE=1
COLLISION_ENERGY=0.0
50.394001	61.091
55.055	121.758003
59.049999	216.572006
67.055	63.501999
81.07	325.058014
95.085999	310.966003
109.100998	57.603001
115.264	43.801998
152.5	43.318001
179.041	26.728001
187.123001	36.941002
192.559006	31.504999
217.365997	256.261993
218.513	201.188995
296.639008	42.633999
303.207001	424.445007
316.342987	39.359001
337.27301	388.928009
339.289001	100.097
474.144012	35.747002
END IONS
BEGIN IONS
SCANS=1606
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1607
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1608
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1609
PEPMASS=639.42297
CHARGE=1
COLLISION_ENERGY=0.0
52.012001	3.585
60.865002	2.873
66.227997	2.727
69.07	1.09
83.306999	2.904
86.097	395.118011
130.065002	44.578999
132.080994	20.364
141.102005	83.056
154.158997	46.966999
159.091995	224.690002
199.181	164.889008
227.173004	197.164001
255.147995	39.745998
267.243011	39.737999
272.175995	151.240997
295.238007	34.881001
300.17099	222.886993
340.260986	46.964001
368.231995	34.834999
408.321014	7.517
413.255005	120.904999
423.239014	1.294
425.350006	8.907
453.34201	1.755
480.32901	0.945
481.316986	21.444
498.345001	16.483999
526.338013	24.792999
END IONS
BEGIN IONS
SCANS=1610
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1611
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1612
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1613
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1614
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1615
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1616
PEPMASS=644.49402
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	105.225998
71.085999	69.796997
74.453003	28.336
87.855003	28.549999
89.059998	770.737
133.085999	280.904999
133.347	51.966
172.794006	30.101999
177.110992	41.932999
219.591995	37.979
221.477997	368.213989
284.493011	68.778
294.524994	44.132
327.330994	44.851002
END IONS
BEGIN IONS
SCANS=1617
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1618
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1619
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1620
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1621
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1622
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1623
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1624
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1625
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1626
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1627
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1628
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1629
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1630
PEPMASS=650.19
CHARGE=3
COLLISION_ENERGY=0.0
153.908997	38.419998
165.112	28.268
173.591995	37.546001
175.132996	530.169006
221.449997	674.651001
233.175003	464.778992
264.269012	1128.036987
265.272003	213.563995
283.263	97.245003
303.205994	87.359001
311.329987	42.874001
369.372009	277.289001
506.61499	29.426001
519.458008	24.499001
534.301025	27.740999
698.059998	24.245001
887.445984	27.122999
924.947021	30.202999
993.346008	35.425999
1041.136963	34.673
END IONS
BEGIN IONS
SCANS=1631
PEPMASS=650.297
CHARGE=1
COLLISION_ENERGY=0.0
54.985001	39.577
59.049999	29.936001
66.490997	26.76
71.050003	130.201996
85.028999	396.640991
99.043999	82.414001
131.085999	91.961998
184.072998	124.124001
192.552994	24.544001
217.005005	231.199005
219.238998	26.889999
226.085999	211.921005
253.108002	28.813
282.112	21.975
303.210999	50.005001
309.13501	13.939
343.154999	20.795
344.161987	206.518005
356.165009	22.964001
368.162994	31.281
394.175995	10.592
400.190002	16.716
END IONS
BEGIN IONS
SCANS=1632
PEPMASS=650.521
CHARGE=3
COLLISION_ENERGY=0.0
154.639008	105.976997
165.774994	32.058998
175.132996	236.046005
176.617004	57.476002
206.753998	61.369999
221.462997	330.902008
233.173996	169.852005
264.269012	967.348999
282.278992	119.821999
283.26001	32.543999
303.209015	320.300995
327.42099	57.304001
368.824005	56.316002
374.743011	65.610001
379.744995	32.969002
414.86499	32.875
528.955994	34.112
632.625977	130.707001
724.958008	44.513
753.125977	31.091999
END IONS
BEGIN IONS
SCANS=1633
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1634
PEPMASS=652.27502
CHARGE=1
COLLISION_ENERGY=0.0
57.034	24.957001
71.050003	278.072998
78.924004	30.040001
85.028999	417.203003
91.055	32.027
100.819	31.07
129.054993	78.93
131.085999	14.58
191.539001	15.468
213.076996	55.230999
220.281998	45.484001
221.488998	104.963997
226.085999	37.858002
242.080994	75.392998
269.104004	263.490997
293.105011	12.758
342.14801	45.737999
360.158997	222.817001
372.158997	44.028
384.158997	28.540001
398.178009	11.938
410.177002	10.482
438.539001	40.358002
END IONS
BEGIN IONS
SCANS=1635
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1636
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1637
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1638
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1639
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1640
PEPMASS=655.41803
CHARGE=1
COLLISION_ENERGY=0.0
50.653	8.948
58.066002	10.019
70.066002	12.998
72.081001	11.447
86.097	522.148987
141.102005	26.127001
146.059998	18.459
154.158997	64.533997
175.087006	188.983994
199.181	166.699997
203.082001	65.384003
217.332001	55.851002
227.175003	179.520004
288.17099	73.125999
298.153992	32.651001
303.204987	89.829002
316.165009	188.789993
340.259003	47.363998
384.22699	10.898
411.239014	16.138
END IONS
BEGIN IONS
SCANS=1641
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1642
PEPMASS=657.245
CHARGE=1
COLLISION_ENERGY=0.0
82.848	61.494999
89.917	17.396999
123.805	18.917999
124.915001	44.701
131.085999	18.437
134.186005	41.071999
217.207993	144.039993
221.574005	186.145004
278.082001	34.856998
280.096985	28.384001
303.196991	99.316002
307.118988	198.979004
325.05899	48.118999
370.181	123.195
372.160004	305.278992
396.160004	173.582001
397.165985	67.250999
398.174011	227.927002
END IONS
BEGIN IONS
SCANS=1643
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1644
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1645
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1646
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1647
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1648
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1649
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1650
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1651
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1652
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1653
PEPMASS=660.61401
CHARGE=1
COLLISION_ENERGY=0.0
51.682999	19.058001
53.334999	24.365999
57.07	182.720993
59.049999	577.463013
71.085999	134.843994
85.111	105.929001
117.091003	42.541
153.003998	499.277008
155.018997	767.34198
161.332001	12.081
171.014008	3111.832031
218.013	38.743
219.485992	10.538
221.460007	211.996002
230.481995	11.713
274.492004	11.617
299.285004	7.173
303.199005	329.376007
306.130005	12.955
322.428009	12.895
386.86499	8.187
391.304993	582.359009
452.61499	9.695
510.730011	12.04
513.603027	6.493
605.210999	10.708
639.671997	10.168
END IONS
BEGIN IONS
SCANS=1654
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1655
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1656
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1657
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1658
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1659
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1660
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1661
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1662
PEPMASS=665.19
CHARGE=3
COLLISION_ENERGY=0.0
149.723007	98.117996
168.692993	38.082001
175.132004	61.639
182.541	57.487
208.498001	53.633999
217.279999	203.882004
233.175995	60.776001
277.658997	29.493
301.985992	27.372999
303.196991	536.445984
320.875	25.179001
403.274994	22.216999
440.204987	173.598007
441.212006	141.615005
496.266998	453.020996
497.270996	458.454987
553.335022	220.126007
609.398987	139.341003
1019.96698	32.756001
1036.578003	38.730999
1332.993042	28.475
END IONS
BEGIN IONS
SCANS=1663
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1664
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1665
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1666
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1667
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1668
PEPMASS=666.29303
CHARGE=1
COLLISION_ENERGY=0.0
57.034	24.288
61.514	13.635
71.050003	278.056
85.028999	317.553986
111.343002	13.679
129.054001	59.793999
131.085007	12.029
161.244995	8.445
178.945007	13.445
216.985992	156.332993
221.498993	34.198002
227.093994	109.928001
240.102005	25.468
256.096008	85.999001
283.121002	296.326996
303.201996	46.241001
325.128998	15.435
342.273987	16.844999
356.167999	39.014
374.175995	186.067001
386.175995	78.166
398.174011	30.768999
416.182007	19.864
426.169006	29.853001
END IONS
BEGIN IONS
SCANS=1669
PEPMASS=666.604
CHARGE=1
COLLISION_ENERGY=0.0
50.589001	28.68
53.785999	20.656
59.049999	24.18
117.454002	30.207001
131.065002	29.764999
153.003006	61.243999
155.018997	234.281006
171.014008	1006.304993
216.897003	248.186005
246.117996	34.810001
281.062988	22.796
303.207001	161.244003
355.019989	23.299999
END IONS
BEGIN IONS
SCANS=1670
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1671
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1672
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1673
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1674
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1675
PEPMASS=669.20398
CHARGE=3
COLLISION_ENERGY=0.0
140.352997	114.484001
152.695007	92.43
168.856995	61.094002
175.132996	381.450989
221.457993	1004.176025
230.304001	69.422997
233.175995	261.403992
242.929993	68.887001
269.509003	68.916
303.213013	95.414001
365.571014	78.616997
411.790009	96.362999
442.115997	103.278
519.448975	75.912003
526.301025	78.546997
557.69397	76.596001
569.30603	87.856003
577.422974	69.730003
END IONS
BEGIN IONS
SCANS=1676
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1677
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1678
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1679
PEPMASS=672.41699
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	58.748001
83.085999	64.152
85.028999	307.903015
95.085999	181.311005
97.028999	74.400002
127.039001	188.147003
145.050003	214.363007
163.059998	109.823997
217.626007	75.122002
218.348999	25.729
221.227005	51.028999
232.770996	12.086
239.238007	23.805
257.247986	31.438999
303.210999	28.465
313.273987	189.942993
332.158997	7.807
333.161987	6.778
383.281006	136.477997
401.287994	45.062
445.239014	5.119
446.246002	9.03
END IONS
BEGIN IONS
SCANS=1680
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1681
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1682
PEPMASS=673.41602
CHARGE=1
COLLISION_ENERGY=0.0
55.055	34.118999
61.028999	44.646999
71.050003	35.606998
83.050003	810.997009
101.059998	184.964005
113.059998	48.513
127.075996	366.324005
131.070999	70.718002
145.085999	57.597
206.022003	19.027
217.850006	45.131001
221.503998	46.419998
229.214996	19.059
251.164001	15.777
277.523987	7.786
280.13501	7.241
349.234985	13.864
END IONS
BEGIN IONS
SCANS=1683
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1684
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1685
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1686
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1687
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1688
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1689
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1690
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1691
PEPMASS=680.20001
CHARGE=3
COLLISION_ENERGY=0.0
155.841995	81.871002
170.516006	65.677002
175.132996	52.679001
179.761993	52.946999
217.235992	345.127991
221.440994	259.22699
252.983002	58.412998
303.209015	371.868011
317.993988	48.903999
439.200012	304.338013
494.28299	73.244003
495.265015	753.401978
551.328003	256.997986
555.530029	46.764
581.627991	45.817001
END IONS
BEGIN IONS
SCANS=1692
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1693
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1694
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1695
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1696
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1697
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1698
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1699
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1700
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1701
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1702
PEPMASS=682.25
CHARGE=1
COLLISION_ENERGY=0.0
60.630001	39.316002
75.896004	27.645
79.225998	24.972
83.422997	28.346001
91.055	161.378998
99.822998	31.362
162.054993	6.523
182.962006	27.360001
200.070999	16.226999
221.488998	125.248001
232.225998	29.224001
241.072998	9.551
256.061005	174.001999
278.080994	10.95
313.109009	9.015
328.130005	81.769997
346.144989	4.567
356.127991	356.821014
374.138	702.487
377.312012	42.615002
404.148987	8.044
416.151001	2.886
428.147003	1.876
456.183014	1.792
458.160004	2.949
484.174988	7.09
END IONS
BEGIN IONS
SCANS=1703
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1704
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1705
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1706
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1707
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1708
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1709
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1710
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1711
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1712
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1713
PEPMASS=684.26898
CHARGE=1
COLLISION_ENERGY=0.0
71.049004	19.336
73.046997	13.066
85.028999	75.358002
91.054001	55.535999
103.069	13.716
105.595001	14.028
136.470001	14.162
158.117996	10.373
184.074005	35.661999
214.087006	52.902
215.093994	60.911999
243.089005	236.367996
258.112	68.108002
284.091003	70.25
302.102997	111.723999
334.127991	31.774
358.13501	9.502
374.134003	9.901
375.143005	11.199
376.153992	725.28302
383.583008	10.09
444.772003	13.943
505.088989	11.86
522.210022	52.750999
END IONS
BEGIN IONS
SCANS=1714
PEPMASS=684.43201
CHARGE=1
COLLISION_ENERGY=0.0
83.050003	296.303986
84.081001	52.331001
102.055	56.612999
116.092003	159.681
127.074997	115.181
144.102005	258.21701
158.117996	496.794006
220.990005	25.243999
221.804993	69.041
223.419006	25.972
233.153	23.607
252.311005	24.948999
305.72699	33.369999
359.027008	62.324001
445.468994	9.724
494.980988	9.216
END IONS
BEGIN IONS
SCANS=1715
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1716
PEPMASS=686.43298
CHARGE=1
COLLISION_ENERGY=0.0
69.033997	94.155998
85.028999	101.188004
95.085999	180.977997
97.046997	139.363007
127.039001	165.593002
145.048996	250.695999
163.059998	122.82
184.072998	40.353001
221.5	41.196999
235.242004	64.660004
253.251999	54.294998
271.261993	35.007999
307.765015	21.743999
327.289001	235.0
345.298004	19.577999
350.783997	11.413
397.295013	185.001007
562.671021	16.163
827.28302	15.948
END IONS
BEGIN IONS
SCANS=1717
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1718
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1719
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1720
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1721
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1722
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1723
PEPMASS=692.52197
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	295.027008
71.085999	225.729996
72.081001	567.942017
81.07	233.947006
86.097	420.730011
95.085999	279.502991
170.057999	198.341995
184.072998	3095.052002
216.845993	98.777
218.238007	56.366001
221.479996	526.85199
290.557007	12.627
292.907013	11.903
303.200012	59.987
338.178986	14.951
343.660004	12.641
365.739014	14.302
414.764008	12.09
425.502991	15.192
467.242004	9.327
484.312012	10.254
506.826996	16.365999
512.776001	11.228
523.471008	331.679993
554.612976	10.059
575.982971	13.313
END IONS
BEGIN IONS
SCANS=1724
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1725
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1726
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1727
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1728
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1729
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1730
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1731
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1732
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1733
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1734
PEPMASS=694.28601
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	105.202003
83.050003	182.024994
85.031998	531.234985
91.055	284.294006
99.044998	87.980003
111.043999	184.410995
172.401993	23.634001
184.072998	161.546005
185.431	24.392
217.274994	68.768997
221.505005	63.227001
251.093994	36.620998
256.059998	209.425003
279.088989	48.909
303.200012	199.809998
342.147003	38.841999
356.127991	511.346985
357.845001	25.195999
362.134003	23.142
END IONS
BEGIN IONS
SCANS=1735
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1736
PEPMASS=696.26501
CHARGE=1
COLLISION_ENERGY=0.0
51.777	17.511
83.050003	57.416
85.037003	161.903
91.055	152.067993
99.043999	67.402
125.059998	27.330999
143.070007	22.367001
198.617996	13.535
200.070007	37.133999
212.067993	14.911
217.020996	115.244003
219.598007	20.660999
256.059998	134.921005
283.084991	10.324
303.213013	31.642
328.132996	58.231998
346.145996	6.947
356.127991	303.144012
374.139008	599.646973
404.152008	7.854
428.156006	9.479
432.417999	18.188999
534.234985	37.462002
END IONS
BEGIN IONS
SCANS=1737
PEPMASS=696.26599
CHARGE=1
COLLISION_ENERGY=0.0
65.496002	41.950001
68.344002	37.917999
73.603996	49.395
86.033997	39.051998
101.029999	43.362999
136.593994	48.192001
155.906006	42.240002
156.253006	24.691999
158.552002	39.466
175.119995	37.772999
218.410004	145.544006
221.485001	148.671997
238.085999	24.650999
238.845993	28.414
246.951004	35.587002
303.210999	105.653999
356.165009	28.528999
384.15799	347.050995
386.138	207.921005
412.153992	294.346008
532.195007	68.268997
END IONS
BEGIN IONS
SCANS=1738
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1739
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1740
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1741
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1742
PEPMASS=698.448
CHARGE=1
COLLISION_ENERGY=0.0
55.055	17.174
61.191002	19.615
72.081001	147.671005
83.050003	711.448975
98.097	182.376007
116.084999	460.333008
123.081001	38.587002
158.117996	1128.531006
217.044006	67.348999
219.419006	92.891998
219.798996	8.906
220.188995	30.799999
256.281006	8.983
291.498993	10.718
303.200012	17.068001
338.299988	8.708
386.335999	8.466
390.131012	10.464
END IONS
BEGIN IONS
SCANS=1743
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1744
PEPMASS=698.55402
CHARGE=3
COLLISION_ENERGY=0.0
144.492996	52.311001
150.526001	135.145996
153.516006	48.358002
175.132996	2274.331055
215.533997	30.879
217.326996	146.332993
221.460999	112.008003
233.175003	1723.577026
283.299988	31.299999
303.204987	1728.78894
311.303986	292.406006
341.339996	654.604004
344.208008	29.531
371.161987	30.23
383.876007	32.692001
471.059998	32.987999
480.277008	37.784
495.371002	28.400999
504.524994	29.627001
562.508972	35.084
577.732971	19.768
610.051025	23.972
800.155029	25.715
938.377014	36.473999
1064.178955	39.328999
1079.911987	26.944
END IONS
BEGIN IONS
SCANS=1745
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1746
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1747
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1748
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1749
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1750
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1751
PEPMASS=702.44299
CHARGE=1
COLLISION_ENERGY=0.0
72.081001	209.134995
83.050003	726.270996
84.081001	148.179993
98.097	272.039001
102.073997	374.386993
116.086998	613.057983
144.102005	1043.708008
158.117996	2059.445068
215.804001	14.767
219.102005	27.747
220.960999	94.768997
221.488998	32.060001
221.998001	42.230999
243.723999	9.507
273.024994	9.349
352.998993	6.076
388.197998	21.295
428.834991	11.522
442.859985	13.564
445.60199	1.991
END IONS
BEGIN IONS
SCANS=1752
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1753
PEPMASS=703.57501
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	92.835999
60.080002	754.754028
71.073997	112.726997
86.097	3241.065918
104.107002	276.049988
125.0	1531.305054
158.117004	0.477
184.072998	22250.447266
217.300003	8.832
218.389999	36.210999
218.688004	12.81
221.483994	310.816986
264.325012	20.104
284.330994	3.269
286.10199	0.216
303.201996	205.617004
341.372986	0.223
370.144012	0.187
374.140015	1.069
388.153992	3.879
399.570007	0.172
408.941986	0.221
478.787994	0.113
505.34201	0.024
508.345001	0.211
517.356018	0.066
537.148987	0.051
548.56897	0.213
END IONS
BEGIN IONS
SCANS=1754
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1755
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1756
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1757
PEPMASS=705.59302
CHARGE=1
COLLISION_ENERGY=0.0
53.479	79.757004
57.070999	236.494995
59.049999	105.757004
93.07	231.858994
95.085999	568.098022
105.07	542.348999
133.065002	315.644012
151.074997	541.619995
184.072998	806.559998
207.242996	27.162001
217.580002	381.380005
221.457993	48.916
231.371994	20.756001
242.067001	28.047001
288.316986	8.954
303.20401	256.071991
344.23999	10.738
412.393005	53.757
426.408997	20.215
436.394012	15.063
438.332001	57.530998
520.489014	17.77
524.75	15.577
527.078979	18.232
538.497009	92.814003
END IONS
BEGIN IONS
SCANS=1758
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1759
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1760
PEPMASS=706.53998
CHARGE=1
COLLISION_ENERGY=0.0
58.527	20.403999
60.081001	17.158001
68.292	16.514999
86.097	173.938004
89.767998	15.074
125.0	88.696999
153.548996	14.342
173.429993	16.344999
184.072998	1338.765015
185.076004	24.280001
216.240997	14.618
221.479996	119.525002
270.924988	15.115
285.868988	17.955
342.391998	23.051001
END IONS
BEGIN IONS
SCANS=1761
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1762
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1763
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1764
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1765
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1766
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1767
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1768
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1769
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1770
PEPMASS=713.27002
CHARGE=1
COLLISION_ENERGY=0.0
71.050003	11.235
83.050003	11.509
84.081001	86.995003
85.028999	16.981001
91.055	23.643
123.116997	64.206001
140.067993	26.75
159.065002	70.614998
216.119995	256.908997
221.490005	19.445
221.845993	21.497
238.087006	43.876999
254.080994	84.442001
256.061005	35.916
282.075989	67.126999
286.106995	91.693001
298.200012	27.639999
314.105011	27.804001
356.127991	43.407001
374.139008	45.658001
385.118011	38.235001
404.14801	35.604
411.135986	25.434
427.128998	13.513
487.171997	12.284
499.300995	11.467
501.178009	34.659
502.188995	205.792999
533.20697	394.696991
END IONS
BEGIN IONS
SCANS=1771
PEPMASS=713.41602
CHARGE=1
COLLISION_ENERGY=0.0
50.528	48.419998
81.07	192.578995
84.081001	446.789001
102.091003	52.195999
115.039001	65.260002
123.116997	467.833008
159.065002	376.622009
184.074005	19.656
216.123001	1512.71106
216.910995	77.585999
221.498993	449.372009
226.468002	17.636999
298.201996	205.738998
303.194	109.969002
309.166992	67.578003
327.178009	76.613998
333.421997	16.225
388.154999	46.366001
395.239014	15.153
405.514008	22.976999
406.464996	16.202999
422.393005	16.408001
425.251007	202.042999
457.242004	18.171
475.243011	18.667999
487.971985	22.163
499.303009	9.966
520.672974	22.396999
528.562012	20.641001
END IONS
BEGIN IONS
SCANS=1772
PEPMASS=713.56403
CHARGE=3
COLLISION_ENERGY=0.0
156.666	113.598
162.841003	97.43
175.132996	455.894012
217.957001	287.794006
225.854996	68.323997
232.593994	51.908001
233.173004	257.346008
246.716003	57.069
274.140991	50.908001
303.205994	847.599976
312.776001	48.681
327.612	44.243
394.862	48.254002
454.649994	50.310001
465.726013	44.882
624.052979	111.764
956.578003	58.409
1123.136963	52.584
1176.323975	60.979
1177.233032	59.452
END IONS
BEGIN IONS
SCANS=1773
PEPMASS=713.565
CHARGE=3
COLLISION_ENERGY=0.0
165.112	108.341003
166.311996	83.07
175.132996	309.730988
202.313995	82.716003
221.457001	765.242981
250.483994	113.709999
317.713013	96.900002
445.710999	90.702003
979.239014	103.143997
1043.561035	101.267998
END IONS
BEGIN IONS
SCANS=1774
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1775
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1776
PEPMASS=716.45801
CHARGE=1
COLLISION_ENERGY=0.0
55.055	60.743999
57.070999	10.149
72.081001	503.863007
83.050003	2470.375
87.044998	121.848
98.097	628.692993
116.087997	1646.067993
123.081001	139.615005
158.117996	3900.951904
184.072998	53.936001
217.237	16.848
218.697998	23.570999
221.490997	38.411999
233.154007	79.096001
272.184998	7.752
289.179993	3.857
303.196991	41.526001
321.596985	0.468
340.488007	3.406
342.227997	13.581
397.94101	4.734
408.273987	14.664
409.127991	5.367
409.901001	4.691
423.878998	0.483
464.300995	8.859
482.433014	9.902
522.34198	19.844
540.354004	26.162001
549.612	4.676
558.362976	38.702
575.5	39.091999
END IONS
BEGIN IONS
SCANS=1777
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1778
PEPMASS=717.52002
CHARGE=1
COLLISION_ENERGY=0.0
53.751999	28.104
57.070999	50.576
71.085999	82.342003
77.805	41.318001
85.101997	26.627001
86.097	78.807999
135.337006	22.627001
184.074005	467.21701
220.792999	76.636002
221.488998	14.694
223.889999	21.136999
270.075989	5.934
298.346985	797.544983
303.196991	7.103
327.122986	10.365
364.036987	20.825001
370.140991	60.692001
388.154999	118.017998
END IONS
BEGIN IONS
SCANS=1779
PEPMASS=719.57397
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	190.298004
59.049999	95.321999
71.085999	103.023003
93.07	148.658005
105.07	246.253006
136.076004	191.904999
147.065002	522.526978
164.070999	241.880005
184.072998	841.215027
216.828003	120.063004
218.705994	19.937
221.468994	214.033005
271.346985	11.627
278.746002	13.557
303.209015	102.734001
374.377991	150.582993
379.601013	20.638
386.377991	79.568001
402.372986	135.154999
430.367004	27.308001
460.153992	24.877001
END IONS
BEGIN IONS
SCANS=1780
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1781
PEPMASS=720.45502
CHARGE=1
COLLISION_ENERGY=0.0
55.830002	18.775999
69.033997	42.028
72.081001	114.428001
83.050003	34.087002
98.097	143.742004
113.059998	130.651993
116.091003	389.036011
158.117996	876.309998
186.419998	15.898
209.322006	30.287001
219.432999	56.675999
221.475006	25.316
229.820007	12.3
279.617004	14.392
303.204987	38.858002
327.307007	10.751
450.355011	17.674
END IONS
BEGIN IONS
SCANS=1782
PEPMASS=720.59198
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	182.259995
60.081001	373.160004
86.097	1889.0
104.107002	117.727997
109.065002	75.093002
125.0	862.598999
147.067993	19.955
184.072998	13746.418945
185.076996	14.981
217.139999	45.117001
219.378006	27.077
221.210999	1.795
221.479996	353.584015
298.601013	1.168
303.201996	46.175999
309.277008	1.34
370.140991	1.01
371.145996	1.018
388.156006	2.598
411.148987	0.631
451.30899	0.533
451.492004	0.57
456.256012	5.144
496.567993	0.564
513.435974	0.503
END IONS
BEGIN IONS
SCANS=1783
PEPMASS=721.58899
CHARGE=1
COLLISION_ENERGY=0.0
57.07	50.514
71.085999	69.781998
86.097	134.315994
93.07	94.513
105.07	116.750999
147.067001	53.729
148.074997	28.591999
164.070007	25.288
184.072998	931.879028
185.076996	143.477997
235.268005	10.284
235.464996	11.481
244.166	10.075
303.207001	126.792999
303.441986	13.763
310.544006	15.063
374.377991	21.809999
449.412994	20.888
END IONS
BEGIN IONS
SCANS=1784
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1785
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1786
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1787
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1788
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1789
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1790
PEPMASS=730.474
CHARGE=1
COLLISION_ENERGY=0.0
72.081001	84.038002
83.050003	502.010986
98.097	125.291
116.089996	310.875
123.080002	33.970001
158.117996	673.538025
169.651993	18.566
217.802994	31.579
229.690002	19.4
235.679001	18.851
257.069	5.62
303.200012	79.804001
308.653992	26.329
372.122986	15.32
390.132996	37.585999
422.15799	7.357
551.710022	5.958
END IONS
BEGIN IONS
SCANS=1791
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1792
PEPMASS=732.453
CHARGE=1
COLLISION_ENERGY=0.0
53.837002	23.277
69.070999	74.002998
83.050003	181.509995
113.059998	248.574005
123.081001	84.907997
158.117996	204.315994
174.112	58.952999
184.072998	433.419006
193.121994	35.317001
221.488998	53.727001
270.477997	17.697001
277.140991	25.754
295.154999	20.246
307.190002	17.487
321.730011	20.792999
347.221985	7.825
365.233002	8.336
368.756989	19.823999
393.227997	5.265
411.237	3.004
470.817993	24.583
538.340027	5.706
556.348022	42.715
END IONS
BEGIN IONS
SCANS=1793
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1794
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1795
PEPMASS=732.55298
CHARGE=1
COLLISION_ENERGY=0.0
58.067001	8.147
60.081001	330.923004
71.073997	64.751999
86.097	1376.175049
98.985001	11.71
104.107002	106.935997
125.0	644.952026
173.130997	3.604
184.072998	9266.869141
185.076996	35.214001
217.143005	30.655001
218.858994	1.897
219.578995	2.232
244.009003	0.691
259.95401	0.709
280.386993	0.63
293.049011	0.61
296.645996	0.688
303.201996	73.818001
313.368011	0.551
352.834991	0.416
383.828003	0.274
392.697998	0.239
396.932007	0.253
404.320007	0.558
465.803009	0.167
478.328003	0.265
515.004028	0.454
571.802002	0.321
END IONS
BEGIN IONS
SCANS=1796
PEPMASS=734.46802
CHARGE=1
COLLISION_ENERGY=0.0
55.055	47.436001
72.081001	336.141998
83.050003	1518.56897
87.044998	87.912003
98.097	415.027008
116.091003	1103.046021
144.102997	8.961
158.117996	2553.818115
184.072998	708.630005
218.248001	16.017
221.082001	14.829
221.475998	10.068
233.154007	19.613001
272.272003	10.17
288.03299	3.844
303.200989	3.24
322.080994	3.304
347.846985	3.68
372.865997	3.962
406.921997	4.274
408.272003	0.705
440.648987	1.635
464.302002	0.44
484.683014	4.069
510.976013	4.175
517.783997	1.417
522.338989	1.091
558.366028	6.095
576.372009	3.456
END IONS
BEGIN IONS
SCANS=1797
PEPMASS=734.56897
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	199.904007
60.081001	815.283997
83.050003	120.276001
86.097	3442.677979
104.107002	212.682999
125.0	1615.046021
158.117996	251.626999
184.072998	23704.945312
185.076996	133.992004
186.078003	10.047
218.039993	3.745
218.931	21.785
221.503006	4.886
298.346985	0.141
303.200012	301.166992
351.514008	1.117
354.584991	0.071
364.34201	0.08
399.450989	0.068
409.196991	0.104
414.38501	0.241
443.718994	0.08
469.527008	0.058
482.295013	0.081
512.732971	0.044
551.317017	0.037
590.500977	0.018
620.364014	0.017
END IONS
BEGIN IONS
SCANS=1798
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1799
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1800
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1801
PEPMASS=738.44
CHARGE=1
COLLISION_ENERGY=0.0
78.404999	53.418999
82.046997	73.097
83.050003	103.608002
92.093002	21.622
116.088997	197.044006
123.080002	31.723
158.117996	78.223999
169.955002	24.648001
172.626007	22.572001
217.136002	77.862999
218.335999	73.388
279.121002	20.135
291.157013	26.673
297.131012	148.031006
303.208008	176.391006
309.167999	220.440994
337.164001	43.463001
387.21701	24.402
392.240997	40.498001
404.279999	26.466999
405.22699	200.712006
423.235992	75.954002
454.240997	186.695999
466.278992	163.278
494.27301	45.587002
500.332001	16.163
518.343018	34.400002
548.788025	25.013
562.335999	201.671997
580.346008	407.385986
612.336975	10.795
END IONS
BEGIN IONS
SCANS=1802
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1803
PEPMASS=739.50403
CHARGE=1
COLLISION_ENERGY=0.0
52.817001	55.446999
56.191002	33.117001
57.070999	131.561996
59.049999	703.344971
75.353996	29.583
124.949997	83.186996
197.065002	101.078003
213.005997	277.001007
214.985992	239.714005
217.119995	173.455994
221.453995	295.369995
229.001999	725.038025
300.125	25.724001
303.201996	286.790985
307.156006	121.973
325.834991	26.639
348.911011	35.884998
361.372986	23.924999
368.178986	28.325001
369.052002	27.636
402.61499	23.728001
END IONS
BEGIN IONS
SCANS=1804
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1805
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1806
PEPMASS=742.45599
CHARGE=1
COLLISION_ENERGY=0.0
55.055	59.681999
72.081001	183.242004
83.050003	2113.434082
87.044998	84.202003
98.097	322.920013
116.079002	590.221008
158.117996	2070.908936
184.072998	109.536003
216.925003	14.529
218.791	33.207001
221.492004	31.896999
243.356995	7.206
244.998001	11.201
270.040009	17.775999
303.201996	101.546997
309.167999	1.129
370.106995	4.544
388.115997	72.002998
402.865997	9.273
406.761993	10.749
425.25	11.367
449.839996	9.3
461.279999	10.983
500.806	11.123
529.481018	3.461
564.89801	8.582
584.356995	24.372999
END IONS
BEGIN IONS
SCANS=1807
PEPMASS=742.54401
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	111.009003
59.049999	201.542007
69.070999	130.283005
71.085999	86.339996
97.101997	223.542999
125.096001	268.588989
139.112	193.136993
143.106003	129.876007
146.981995	29.572001
184.072998	279.877991
221.464996	182.117996
227.647003	20.58
243.423004	18.443001
251.516998	21.091
311.292999	21.676001
379.25	28.216
END IONS
BEGIN IONS
SCANS=1808
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1809
PEPMASS=745.31897
CHARGE=1
COLLISION_ENERGY=0.0
54.911999	60.358002
66.811996	48.085999
83.050003	199.425003
85.028999	81.300003
86.097	44.955002
99.044998	55.349998
147.779999	42.562
152.020996	39.577999
175.511993	44.977001
184.072998	364.485992
185.981003	49.011002
217.927994	269.964996
221.498993	164.677994
256.062012	48.438999
303.203003	75.367996
356.127014	302.919006
END IONS
BEGIN IONS
SCANS=1810
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1811
PEPMASS=746.45099
CHARGE=1
COLLISION_ENERGY=0.0
72.081001	46.390999
83.050003	422.35199
89.059998	59.004002
102.092003	39.721001
116.093002	169.300003
144.102005	226.098007
158.117996	652.289001
184.072998	121.793999
221.307999	26.1
221.477997	59.838001
258.53299	17.381001
271.627014	20.504
310.872009	18.787001
366.13501	28.452999
END IONS
BEGIN IONS
SCANS=1812
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1813
PEPMASS=746.56799
CHARGE=1
COLLISION_ENERGY=0.0
57.001999	10.371
60.081001	194.440994
71.073997	19.256001
86.097	767.465027
89.059998	12.81
104.107002	62.019001
125.0	382.391998
184.072998	5353.065918
185.076996	31.231001
217.570999	10.155
218.643005	9.118
219.520996	8.685
221.460007	25.504
303.20401	28.570999
304.55899	2.154
310.808014	2.089
326.378998	3.019
327.381989	2.955
389.641998	1.875
416.725006	2.122
460.579987	1.862
462.90799	2.039
476.411011	2.13
501.127014	1.952
534.166992	1.777
542.044006	1.891
544.575989	1.823
581.314026	1.814
END IONS
BEGIN IONS
SCANS=1814
PEPMASS=746.60699
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	151.546005
60.081001	491.151001
71.072998	59.263
86.097	1999.10498
104.107002	170.001999
125.0	912.53302
149.856995	2.279
184.072998	13678.886719
185.076996	79.398003
216.992004	22.941
217.410004	4.129
219.453995	62.674
221.472	52.216
279.59201	0.63
294.339996	0.678
303.200012	209.220993
327.384003	0.512
341.326996	0.66
342.480011	0.578
387.411987	0.388
408.04599	0.471
446.083008	0.342
467.789001	0.303
490.308014	0.313
494.234009	0.322
524.955994	0.301
543.685974	0.427
544.671021	0.312
561.203979	0.314
END IONS
BEGIN IONS
SCANS=1815
PEPMASS=747.25299
CHARGE=3
COLLISION_ENERGY=0.0
156.304993	39.203999
175.132996	45.533001
184.074005	1053.508057
185.076996	162.835007
217.242004	228.746002
221.453995	84.975998
233.177002	35.875999
303.207001	148.472
392.763	44.659
426.720001	47.058998
459.808014	42.618
END IONS
BEGIN IONS
SCANS=1816
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1817
PEPMASS=747.59003
CHARGE=3
COLLISION_ENERGY=0.0
175.132004	104.592003
182.205994	26.774
184.074005	2112.556885
185.076004	251.037003
217.220001	616.348022
220.414001	60.483002
278.053009	17.049
303.20401	387.230011
353.187988	21.159
398.70401	23.624001
414.552002	22.096001
458.763	32.463001
494.380005	17.778999
497.316986	18.995001
507.067993	20.183001
538.497009	36.362
721.651001	31.598
804.84198	28.950001
843.801025	21.0
930.357971	25.639
951.559021	20.819
1191.75	21.115999
1602.837036	30.862
1604.607056	21.801001
END IONS
BEGIN IONS
SCANS=1818
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1819
PEPMASS=748.448
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	30.809
72.081001	151.429001
83.050003	73.857002
87.044998	33.388
98.097	236.710007
116.081001	330.817993
158.117004	947.567993
195.634995	16.226999
206.018005	16.584999
213.697006	19.311001
220.440002	2.161
221.473999	86.157997
233.154007	3.04
272.18399	1.041
278.774994	0.775
286.199005	0.757
303.205994	0.728
323.183014	0.879
358.220001	1.104
375.279999	0.69
381.225006	0.763
384.803009	0.859
480.295013	11.316
495.950989	0.69
END IONS
BEGIN IONS
SCANS=1820
PEPMASS=748.48499
CHARGE=1
COLLISION_ENERGY=0.0
52.924	11.094
59.049999	8.128
72.081001	149.880005
83.050003	686.723022
98.097	172.248993
113.059998	21.146
116.088997	516.028992
158.117996	1238.083008
184.072998	42.923
217.0	23.256001
221.483002	48.032001
221.955994	19.981001
233.153	4.083
301.061005	2.238
303.196991	18.996
310.015015	12.828
522.343994	3.353
540.348022	3.228
END IONS
BEGIN IONS
SCANS=1821
PEPMASS=748.58002
CHARGE=1
COLLISION_ENERGY=0.0
54.958	9.391
59.049999	28.152
59.862999	5.67
60.081001	42.583
86.097	203.479004
113.810997	7.834
119.324997	6.728
125.0	99.014
184.072998	1404.375
185.076996	52.119999
186.076996	7.808
216.966995	62.105999
221.477997	35.323002
303.197998	16.625
322.882996	8.456
END IONS
BEGIN IONS
SCANS=1822
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1823
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1824
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1825
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1826
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1827
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1828
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1829
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1830
PEPMASS=756.55298
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	134.024002
59.049999	117.030998
71.085999	107.244003
85.101997	21.224001
86.097	296.173004
95.085999	60.68
146.981995	616.427002
184.072998	129.205994
191.878006	15.346
221.686996	13.646
222.369003	14.14
263.598999	13.716
275.778992	17.584
303.20401	154.804993
551.499023	98.614998
573.482971	157.421005
END IONS
BEGIN IONS
SCANS=1831
PEPMASS=758.57001
CHARGE=1
COLLISION_ENERGY=0.0
58.067001	44.959999
60.081001	1593.307983
71.073997	336.424988
86.097	6601.804199
98.985001	145.865005
104.107002	483.079987
125.0	3149.454102
167.056	0.635
184.072998	42392.988281
216.917007	12.493
217.201996	1.084
221.464005	1.006
239.095001	2.177
281.050995	0.296
285.01001	0.167
299.062012	26.681
303.204987	140.537994
344.975006	1.629
355.069	1.101
359.028015	5.985
371.96701	0.003
402.850006	0.002
415.036011	1.192
429.085999	0.018
478.326996	8.811
496.338989	25.280001
502.32901	6.515
575.504028	0.055
END IONS
BEGIN IONS
SCANS=1832
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1833
PEPMASS=760.46503
CHARGE=1
COLLISION_ENERGY=0.0
60.082001	11.517
72.081001	132.552994
83.050003	521.026978
86.097	85.364998
98.097	154.925995
116.089996	444.256012
158.117996	943.812988
184.072998	558.163025
185.076996	53.088001
186.076996	19.423
217.154999	7.387
219.688995	3.554
233.154007	18.52
289.179993	1.375
303.195007	1.55
307.190002	1.034
342.227997	2.37
347.221008	0.51
365.230988	1.107
408.274994	3.073
459.507996	0.943
464.303009	1.34
490.643005	0.333
522.343018	4.68
540.353027	0.466
566.338013	0.311
584.359009	9.379
END IONS
BEGIN IONS
SCANS=1834
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1835
PEPMASS=762.59497
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	5.366
60.082001	56.153999
71.073997	11.001
86.097	203.710999
87.099998	24.108
104.107002	16.313
125.0	95.022003
127.004997	2.337
184.072998	1304.505981
185.076996	163.177002
186.078003	82.549004
187.080994	5.526
217.485001	15.015
303.200012	3.766
378.246002	1.644
386.432007	1.768
549.841003	1.932
564.101013	2.262
692.35498	2.007
END IONS
BEGIN IONS
SCANS=1836
PEPMASS=763.59802
CHARGE=1
COLLISION_ENERGY=0.0
57.034	6.912
59.049999	44.488998
60.081001	45.390999
70.957001	7.363
86.097	163.533005
87.099998	30.448999
125.0	84.597
152.126007	6.928
184.072998	1070.727051
185.076996	248.169998
186.078003	130.880005
217.093994	46.261002
217.524002	73.688004
303.188995	10.771
359.398987	7.312
421.64801	7.536
END IONS
BEGIN IONS
SCANS=1837
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1838
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1839
PEPMASS=768.54901
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	2308.310059
67.055	1106.170044
71.085999	1846.13501
81.07	1564.067017
86.097	1442.661011
95.085999	1809.60498
184.074005	10255.759766
203.179001	460.045013
217.641998	183.630997
221.485992	301.798004
267.268005	72.343002
269.226013	19.854
303.204987	344.09201
310.311005	52.23
330.278015	101.288002
341.304993	3008.260986
385.303009	0.425
395.315002	14.331
396.091003	1.318
418.130005	0.399
430.82901	0.292
460.186005	0.389
479.967987	0.22
488.244995	0.5
519.02002	0.102
519.971008	0.343
560.791016	0.108
564.997009	0.288
586.072021	0.192
618.893005	0.149
621.546997	0.22
627.534973	1222.993042
637.408997	0.514
648.455994	0.081
END IONS
BEGIN IONS
SCANS=1840
PEPMASS=769.55402
CHARGE=2
COLLISION_ENERGY=0.0
119.085999	59.390999
124.973999	112.334
146.981995	259.795013
155.815002	58.300999
184.072998	2433.279053
185.076004	180.335999
218.729004	46.752998
221.462006	250.328003
227.220993	15.87
285.908997	14.063
291.037994	25.417
303.213013	245.434006
341.304993	152.272995
342.308014	215.048996
406.27301	17.438
464.820007	10.527
597.487976	11.012
628.536987	605.857971
1153.317993	10.665
END IONS
BEGIN IONS
SCANS=1841
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1842
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1843
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1844
PEPMASS=772.58301
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	299.468994
60.081001	1161.067993
71.073997	214.589005
86.097	5053.341797
104.107002	330.822998
125.0	2357.929932
184.072998	32812.316406
185.080002	54.844002
216.875	6.254
217.113007	0.83
219.630005	3.067
221.483994	144.464996
280.678009	0.018
296.613007	0.013
303.203003	463.052002
335.880005	0.011
350.446991	0.01
359.877991	0.024
369.988007	0.011
377.488007	0.022
409.621002	0.128
418.878998	0.014
433.562988	0.013
460.330994	0.018
462.587006	0.023
466.156006	0.01
468.915009	0.012
486.351013	0.013
540.247009	0.003
556.679993	0.019
590.219971	0.003
591.353027	0.011
599.814026	0.002
600.919006	0.003
641.252991	0.003
657.827026	0.004
661.676025	0.003
717.674011	0.003
END IONS
BEGIN IONS
SCANS=1845
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1846
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1847
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1848
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1849
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1850
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1851
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1852
PEPMASS=777.28101
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	54.021
86.097	111.095001
91.055	366.194
98.663002	28.856001
105.899002	32.793999
115.559998	28.285
151.774002	31.421
184.072998	554.716003
185.076996	37.950001
192.376999	31.496
217.585007	32.567001
220.059998	87.994003
221.481995	64.214996
265.484985	35.007
303.203003	49.104
339.997009	15.236
374.666992	18.152
402.65799	15.463
553.177002	20.188
565.16803	30.370001
581.169006	26.136999
609.166992	23.141001
620.942993	50.344002
627.174988	45.792
699.247009	50.889999
717.262024	52.415001
727.236023	51.351002
END IONS
BEGIN IONS
SCANS=1853
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1854
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1855
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1856
PEPMASS=780.552
CHARGE=1
COLLISION_ENERGY=0.0
57.07	472.441986
67.055	544.635986
71.085999	330.085999
81.07	669.93103
86.097	2580.888916
95.085999	625.767029
146.981995	5564.367188
148.315994	1.115
163.014999	14.541
164.938995	4.369
184.072998	125.257004
219.332993	5.244
221.455994	11.071
239.237	49.049999
263.237	29.542999
275.506012	1.065
303.200012	135.983002
309.278015	2.815
319.264008	0.572
336.868988	0.659
340.243988	0.529
359.602997	0.429
370.496002	0.284
385.98999	0.31
441.237	24.301001
443.257996	0.854
445.417999	0.568
446.660004	0.579
465.237	166.136993
478.328003	7.758
502.32901	2.93
510.851013	0.449
524.312012	5.448
547.171997	0.587
573.062988	0.377
575.502991	832.940002
597.484985	2365.387939
612.531006	0.661
632.716003	0.875
651.401001	0.177
694.945007	0.188
710.562012	0.281
716.47699	0.982
719.013	1.307
721.070984	0.258
721.47699	291.921997
END IONS
BEGIN IONS
SCANS=1857
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1858
PEPMASS=780.552
CHARGE=1
COLLISION_ENERGY=0.0
57.07	88.249001
59.049999	90.567001
67.055	92.550003
81.07	97.978996
86.097	395.388
146.981995	941.919983
209.979004	8.276
221.453995	36.613998
225.022003	9.969
303.199005	41.373001
575.500977	111.764999
END IONS
BEGIN IONS
SCANS=1859
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1860
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1861
PEPMASS=782.57001
CHARGE=1
COLLISION_ENERGY=0.0
58.067001	30.879999
60.081001	972.088989
71.073997	221.240997
86.097	4147.328125
98.985001	72.384003
104.107002	281.343994
125.0	2000.167969
146.981995	65.496002
184.072998	25072.601562
216.822006	0.658
218.257004	0.439
219.205002	0.627
219.473999	0.323
221.496994	7.341
289.231995	0.119
295.346008	0.098
303.200989	74.142998
341.181	0.602
373.227997	0.088
374.153015	0.383
391.190002	0.035
405.225006	0.073
449.231995	0.057
453.075989	0.012
470.226013	0.009
478.328003	5.252
496.339996	9.908
502.440002	0.02
517.973999	0.009
526.328003	4.605
562.333984	0.139
577.515991	0.045
577.84198	0.007
586.356995	0.007
599.495972	13.3
607.330994	0.029
651.856995	0.011
661.726013	0.006
662.096985	0.002
662.807983	0.006
694.075012	0.003
717.026978	0.022
720.427979	0.258
721.435974	0.024
END IONS
BEGIN IONS
SCANS=1862
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1863
PEPMASS=786.59998
CHARGE=1
COLLISION_ENERGY=0.0
58.067001	22.778999
60.081001	1526.213989
71.073997	363.183014
86.097	6380.925781
98.985001	144.156998
104.107002	496.848999
125.0	3095.200928
184.072998	40851.117188
185.076996	734.291992
186.078003	240.819
217.210007	0.211
221.483994	0.141
257.053009	0.122
282.940002	0.007
291.21701	0.003
303.204987	83.735001
454.223999	0.004
502.325989	21.77
506.359985	4.092
516.643982	0.009
524.369019	9.82
533.5	0.016
603.539978	0.015
END IONS
BEGIN IONS
SCANS=1864
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1865
PEPMASS=789.61603
CHARGE=1
COLLISION_ENERGY=0.0
60.081001	77.627998
71.073997	18.552
86.097	290.735992
87.099998	48.437
104.107002	21.038
125.0	147.634995
126.002998	6.981
184.072998	1914.06897
185.076996	346.812988
186.078003	107.307999
187.080994	8.532
221.466003	6.746
287.148987	0.922
291.096008	1.405
359.638	1.061
END IONS
BEGIN IONS
SCANS=1866
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1867
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1868
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1869
PEPMASS=792.55298
CHARGE=1
COLLISION_ENERGY=0.0
57.07	1108.800049
67.055	944.395996
71.085999	774.369019
81.07	771.049011
91.055	910.880005
95.085999	908.27002
184.072998	2994.771973
216.792999	42.696999
217.164993	784.879028
217.936996	169.634995
218.908997	35.933998
220.671005	65.345001
286.872009	3.746
291.269012	5.513
303.209991	593.536987
331.98999	4.789
341.306	21.360001
351.398987	4.284
407.239014	14.16
407.487	6.361
408.242004	14.549
454.070007	6.387
460.835999	7.928
466.828003	6.656
519.018982	8.169
528.828003	4.124
568.97699	3.924
575.982971	4.487
584.179993	7.332
615.008972	7.308
637.523987	6.688
650.30603	7.569
651.534973	311.938995
END IONS
BEGIN IONS
SCANS=1870
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1871
PEPMASS=794.60199
CHARGE=1
COLLISION_ENERGY=0.0
57.07	11.193
59.049999	39.960999
60.082001	31.796
81.07	15.223
86.097	248.798004
125.0	80.480003
146.981995	115.833
184.074005	1272.55603
221.468002	86.733002
303.20401	12.023
337.399994	9.193
365.417999	9.14
367.593994	14.732
END IONS
BEGIN IONS
SCANS=1872
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1873
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1874
PEPMASS=796.52002
CHARGE=1
COLLISION_ENERGY=0.0
56.457001	13.77
59.049999	76.873001
60.081001	41.603001
71.077003	40.376999
86.097	266.003998
125.0	91.462997
146.981995	34.966999
162.955994	96.362999
182.789993	9.932
184.074005	1238.458008
199.841003	5.934
221.468994	16.363001
303.192993	34.626999
372.0	12.883
376.899994	6.453
END IONS
BEGIN IONS
SCANS=1875
PEPMASS=796.586
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	49.150002
59.049999	92.041
60.081001	491.78299
71.074997	160.429993
86.097	2417.97998
104.107002	161.419998
125.0	1285.755005
146.981995	270.178009
162.955994	620.523987
184.072998	17666.646484
185.076996	138.595001
218.274994	38.099998
221.473999	152.600006
257.105011	0.39
281.906006	0.19
287.877991	0.219
303.20401	244.923004
318.619995	0.295
342.489014	0.225
345.061005	0.216
383.455994	0.169
388.156006	0.222
417.125	0.221
421.276001	0.193
439.618988	0.204
458.160004	0.207
462.369995	0.151
517.861023	0.158
533.103027	0.16
535.710022	0.093
582.215027	0.328
594.135986	0.106
608.934998	0.277
613.510986	23.014999
625.047974	0.192
632.895996	0.17
651.861023	0.087
667.236023	0.203
722.927002	0.157
732.911011	0.084
737.447021	111.259003
813.362	0.346
836.429993	0.319
END IONS
BEGIN IONS
SCANS=1876
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1877
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1878
PEPMASS=800.61499
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	376.778015
60.081001	1125.626953
71.077003	274.75
86.097	5250.943848
104.107002	348.290009
125.0	2461.121094
156.078003	0.819
163.014999	25.326
184.074005	32162.091797
185.076996	272.588013
217.214005	53.108002
217.701996	4.777
221.477005	197.315994
284.446014	0.132
289.428986	0.021
303.203003	381.001007
333.850006	0.017
343.201996	0.019
345.389008	0.011
376.151001	0.014
401.997986	0.018
427.104004	0.01
438.54599	0.005
458.307007	0.005
466.362	0.004
471.286011	0.016
478.328003	0.01
478.553986	0.01
502.328003	5.965
517.52002	0.01
529.530029	0.009
544.000977	0.002
581.362	0.009
582.973022	0.003
583.939026	0.004
591.901001	0.003
602.679993	0.003
612.953979	0.004
617.557007	0.004
643.249023	0.003
652.432007	0.004
681.640991	0.004
686.174988	0.002
END IONS
BEGIN IONS
SCANS=1879
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1880
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1881
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1882
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1883
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1884
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1885
PEPMASS=808.58502
CHARGE=1
COLLISION_ENERGY=0.0
58.366001	25.849001
60.081001	157.643997
71.073997	31.110001
86.097	860.174988
104.107002	64.928001
122.865997	7.459
125.0	408.002014
146.981995	75.501999
184.072998	5038.398926
216.945999	14.004
218.345001	13.091
218.800995	100.067001
220.725998	24.969999
221.487	10.56
285.61499	1.055
298.852997	2.153
303.200012	77.718002
310.321991	2.511
344.058014	1.226
361.386993	1.459
394.709015	7.899
404.041992	1.96
456.049988	7.933
500.799988	1.442
507.346985	1.222
552.054016	1.481
END IONS
BEGIN IONS
SCANS=1886
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1887
PEPMASS=810.59998
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	56.622002
60.081001	1253.083008
71.073997	324.95401
86.097	5394.387207
104.107002	405.084015
125.0	2549.479004
146.981995	111.455002
184.072998	32235.3125
185.076996	338.707001
186.078003	88.408997
217.199005	7.259
218.348007	0.171
221.535004	1.008
240.789993	0.066
301.132996	0.004
303.203003	80.968002
313.095001	0.003
341.303009	0.011
352.720001	0.005
373.07901	0.031
393.242004	0.004
393.79599	0.004
416.359009	0.001
416.692993	0.002
432.368988	0.004
433.734985	0.004
440.722992	0.056
463.747986	0.002
500.52301	0.001
502.104004	0.002
506.360992	3.415
524.369995	12.266
524.830017	0.004
526.317993	1.924
527.338013	0.002
568.760986	0.002
574.239014	0.002
605.541992	3.774
614.963989	0.001
621.39801	0.004
627.526978	14.801
644.382019	0.001
656.099976	0.003
666.448975	0.001
703.908997	0.001
740.549988	0.011
751.507996	0.001
751.741028	0.005
END IONS
BEGIN IONS
SCANS=1888
PEPMASS=812.61499
CHARGE=1
COLLISION_ENERGY=0.0
60.081001	275.786011
71.072998	64.973999
86.097	1345.016968
98.984001	15.809
104.107002	88.564003
125.0	633.974976
184.072998	8145.937012
185.076996	232.994995
186.078003	54.362
218.524002	22.931
219.908997	9.168
221.035004	12.951
254.977997	4.035
288.934998	0.865
303.200989	27.149
361.457001	0.832
371.985992	0.462
375.084991	1.489
384.257996	2.938
404.145996	0.91
483.914001	2.597
509.713989	0.497
520.010986	0.427
528.343994	0.357
542.007019	0.927
612.776978	0.94
660.197998	1.008
END IONS
BEGIN IONS
SCANS=1889
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1890
PEPMASS=815.633
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	37.455002
59.049999	99.261002
60.081001	53.043999
67.896004	12.57
71.179001	13.492
86.097	178.179001
125.0	74.800003
141.078003	14.608
184.072998	1141.621948
185.076996	157.598999
186.078003	52.473999
221.455994	50.504002
228.658005	11.481
240.675003	10.994
303.203003	59.557999
END IONS
BEGIN IONS
SCANS=1891
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1892
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1893
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1894
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1895
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1896
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1897
PEPMASS=820.58301
CHARGE=1
COLLISION_ENERGY=0.0
57.070999	64.835999
59.049999	143.057999
60.081001	318.376007
71.078003	140.755005
86.097	1461.412964
104.107002	127.880997
117.091003	5.547
125.0	761.054993
146.981995	8.068
184.072998	9711.398438
185.076004	20.215
217.029999	6.601
217.809998	23.639999
218.128006	33.306
221.466003	61.167999
289.161987	1.176
292.326996	1.087
298.546997	1.205
303.201996	45.618
305.240997	1.265
349.730988	0.772
384.919006	0.728
396.13501	1.046
442.925995	1.128
487.007996	0.87
505.139008	0.346
548.520996	1.575
552.416992	1.518
563.36499	1.054
602.505981	1.191
END IONS
BEGIN IONS
SCANS=1898
PEPMASS=820.664
CHARGE=2
COLLISION_ENERGY=0.0
113.703003	39.34
115.075996	551.002991
117.091003	2678.240967
125.035004	417.195007
175.132996	1081.397949
184.072998	4445.623047
221.462006	443.489014
233.175003	720.810974
253.289001	413.451996
280.399994	3.092
303.203003	414.552002
311.330994	581.614014
328.868011	3.242
337.126007	3.496
369.372009	652.745972
370.375	3.378
425.809998	2.781
432.401001	2.56
452.678009	3.044
474.377991	2.953
491.566986	2.517
521.452026	72.669998
523.478027	3.632
549.208984	3.144
575.502991	24.284
654.026978	3.534
686.544006	3.855
726.536987	2.757
920.419983	3.845
1013.010986	2.738
1055.379028	3.77
1124.645996	2.706
1287.373047	2.615
END IONS
BEGIN IONS
SCANS=1899
PEPMASS=821.16101
CHARGE=2
COLLISION_ENERGY=0.0
113.808998	12.976
115.074997	14.731
117.091003	168.699997
125.0	129.423996
146.981995	56.398998
175.132996	99.817001
184.074005	2075.769043
185.076996	87.676003
217.518997	64.815002
221.462997	22.344
233.175003	17.93
241.951004	11.542
303.207001	27.176001
311.332001	58.543999
312.666992	10.598
322.415009	9.058
335.747986	8.552
369.371002	56.698002
510.093994	14.535
536.627014	10.249
567.182007	10.56
633.377991	9.59
637.507019	12.017
END IONS
BEGIN IONS
SCANS=1900
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1901
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1902
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1903
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1904
PEPMASS=824.62299
CHARGE=1
COLLISION_ENERGY=0.0
58.004002	10.605
59.049999	208.268005
60.082001	554.052979
71.069	176.966003
86.097	2779.618896
104.107002	126.884003
125.0	1112.281006
162.957993	334.09201
184.072998	14108.294922
185.076004	16.375
217.315994	31.169001
218.522003	16.125
219.348999	13.841
221.466003	192.753006
283.032013	0.843
303.204987	229.494003
309.279999	1.649
310.356995	0.552
322.795013	0.743
371.291992	0.51
375.403992	0.594
384.856995	0.513
390.199005	4.756
411.216003	0.528
435.119995	0.618
446.996002	0.601
499.022003	0.487
506.920013	0.663
518.594971	0.55
535.653015	0.575
546.333008	0.456
644.997009	0.204
663.737	0.752
674.007996	0.454
699.822998	0.208
704.862	0.478
END IONS
BEGIN IONS
SCANS=1905
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1906
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1907
PEPMASS=828.349
CHARGE=1
COLLISION_ENERGY=0.0
71.149002	56.744999
83.502998	20.516001
86.097	114.134003
91.055	115.560997
100.320999	26.711
120.346001	19.885
166.729004	18.723
184.074005	269.759003
217.274002	33.401001
217.966995	139.470993
219.654007	143.490997
240.065002	237.029999
256.061005	45.854
275.593994	28.469
303.196991	100.778
313.109985	5.51
328.132996	18.719999
356.127991	408.670013
374.139008	957.848022
388.153992	104.452003
END IONS
BEGIN IONS
SCANS=1908
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1909
PEPMASS=832.24103
CHARGE=3
COLLISION_ENERGY=0.0
58.941002	88.134003
73.047997	370.571014
80.406998	3.159
86.097	44.181
91.057999	619.521973
146.981995	61.646
149.044998	109.088997
167.056	339.417999
184.074005	117.065002
216.824005	26.275999
221.085007	143.949997
225.042999	373.917999
239.095001	726.065002
281.052002	83.657997
283.029999	46.077999
285.009003	569.348022
299.062012	1111.988037
344.976013	236.514999
355.070007	1126.311035
359.028015	420.252014
415.036011	180.102997
418.994995	156.041
420.662994	2.719
429.088013	102.120003
454.660004	1.705
460.954987	17.815001
541.895996	2.67
549.632019	2.136
599.21698	4.101
627.531006	36.026001
649.517029	505.085999
654.572998	3.339
734.922974	2.65
773.504028	180.610992
881.908997	2.599
1022.700012	2.549
END IONS
BEGIN IONS
SCANS=1910
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1911
PEPMASS=833.53699
CHARGE=1
COLLISION_ENERGY=0.0
58.066002	31.806999
58.557999	13.229
59.074001	23.320999
64.973999	14.424
83.050003	42.633999
83.944	14.617
118.085999	2585.105957
123.983002	5.393
158.117996	61.602001
181.169006	4.433
217.746994	36.348999
221.490005	72.405998
298.053009	3.376
303.209015	9.804
307.213989	6.626
330.054993	3.868
454.02301	16.398001
467.894989	5.117
626.325989	19.532
END IONS
BEGIN IONS
SCANS=1912
PEPMASS=834.60101
CHARGE=1
COLLISION_ENERGY=0.0
58.066002	35.785999
60.081001	1427.881958
71.073997	374.884003
86.097	6195.258789
104.107002	431.872986
125.0	2965.960938
146.983994	202.942993
184.072998	35004.761719
217.664001	17.604
218.292007	0.766
219.690994	0.75
221.468994	18.370001
239.095001	8.403
285.01001	4.259
299.061005	6.564
301.05899	1.708
303.207001	112.037003
355.070007	4.786
356.070007	0.145
357.067993	0.191
428.147003	0.08
429.136993	0.026
453.351013	0.002
489.877991	0.002
506.360992	3.724
513.723022	0.003
517.517029	0.004
524.367981	2.374
526.314026	0.009
550.330017	0.007
575.041992	0.008
622.734985	0.002
629.54303	5.255
646.700012	0.001
651.528015	62.326
661.546997	0.001
767.195984	0.001
END IONS
BEGIN IONS
SCANS=1913
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1914
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1915
PEPMASS=838.63098
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	175.587997
60.081001	807.83197
71.081001	134.063004
86.097	3736.083984
104.107002	163.195007
125.0	1693.494019
147.005005	59.945
184.072998	21203.949219
185.078003	859.426025
186.078003	349.90799
216.826996	1.202
221.466995	263.696014
267.914001	1.117
285.563995	0.213
294.243011	0.128
303.204987	472.597992
362.131012	0.165
367.450989	0.174
383.209991	0.152
386.348999	0.148
408.634003	0.884
420.358002	0.072
434.453003	0.138
444.773987	0.062
488.220001	0.098
521.288025	0.093
523.216003	0.125
536.388977	0.17
545.22998	0.063
570.031982	0.157
601.062988	0.06
610.392029	0.061
627.044983	0.058
658.85199	0.066
681.674011	0.093
689.424011	0.064
692.301025	0.062
END IONS
BEGIN IONS
SCANS=1916
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1917
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1918
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1919
PEPMASS=841.16803
CHARGE=2
COLLISION_ENERGY=0.0
117.091003	222.369995
125.0	45.962002
163.669998	45.105
175.132996	179.449005
184.074005	1332.81897
185.076996	77.953003
221.464996	554.116028
229.003006	52.263
232.666	46.825001
306.122986	39.888
307.156006	44.997002
310.196014	44.075001
311.32901	74.640999
318.542999	43.672001
473.660004	21.771
517.390991	50.306999
END IONS
BEGIN IONS
SCANS=1920
PEPMASS=841.67102
CHARGE=2
COLLISION_ENERGY=0.0
117.089996	1380.446045
120.727997	29.610001
135.429001	29.021999
175.132996	451.260986
184.072998	2745.86499
185.076996	132.195007
210.645004	32.109001
219.688004	390.77301
221.449005	984.171997
303.205994	1043.94397
307.15799	579.47998
337.181	28.518
339.092987	28.624001
376.378998	30.063999
396.136993	22.41
408.477997	39.741001
409.75	24.316999
412.234985	19.191
415.359985	22.836
517.390991	333.36499
570.65802	27.408001
601.463013	22.812
635.882019	26.589001
650.484985	16.804001
991.624023	26.502001
1118.345947	37.576
END IONS
BEGIN IONS
SCANS=1921
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1922
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1923
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1924
PEPMASS=842.66803
CHARGE=1
COLLISION_ENERGY=0.0
59.049999	42.271
86.097	83.499001
120.155998	19.673
122.901001	28.273001
124.185997	58.066002
125.0	162.397995
146.981995	120.646004
184.072998	2631.180908
198.087997	14.522
217.498001	163.445999
221.470001	149.121002
246.858994	14.036
298.960999	18.132999
303.205994	107.278
343.391998	15.453
469.003998	18.645
659.505005	142.552994
688.94397	16.868
761.747986	21.473
764.802002	25.679001
966.786011	22.219999
1274.932983	20.612
END IONS
BEGIN IONS
SCANS=1925
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1926
PEPMASS=848.61902
CHARGE=1
COLLISION_ENERGY=0.0
60.081001	51.368
71.026001	11.763
86.089996	390.408997
94.233002	12.273
121.510002	11.905
125.0	144.044006
164.962006	12.105
184.074005	1961.177002
217.606995	66.167999
221.479996	134.035995
246.621002	11.428
255.919998	11.544
260.894989	11.887
292.44101	10.601
303.20401	41.490002
393.835999	10.376
394.135986	15.938
443.477997	15.713
END IONS
BEGIN IONS
SCANS=1927
PEPMASS=849.68402
CHARGE=2
COLLISION_ENERGY=0.0
117.091003	2357.633057
117.398003	9.558
125.053001	40.862
175.132996	1245.280029
184.074005	3337.77002
185.076004	151.919998
221.464996	778.146973
233.175003	692.117004
253.289001	49.827
303.208008	572.23999
304.983002	10.841
311.330994	564.033997
320.904999	10.585
334.515991	11.563
369.372986	689.338013
402.106995	10.551
447.252014	8.661
452.059998	9.252
480.757996	10.026
494.888	7.371
509.098999	10.116
523.060974	11.673
690.171997	8.902
716.981995	13.924
782.445007	12.192
867.658997	6.138
869.585999	6.263
918.161987	9.603
1023.049011	9.111
1129.881958	10.118
1273.269043	9.791
1329.116943	7.429
1459.52002	10.172
END IONS
BEGIN IONS
SCANS=1928
PEPMASS=850.18298
CHARGE=2
COLLISION_ENERGY=0.0
117.091003	285.32901
120.861	25.983999
129.479004	37.584
150.380005	30.667999
175.132996	66.602997
184.072998	1511.988037
185.076996	41.985001
217.360001	229.824005
221.464005	358.242004
268.652008	46.695999
303.183014	40.839001
313.997986	34.25
364.108002	30.038
459.223999	28.572001
642.286987	32.686001
END IONS
BEGIN IONS
SCANS=1929
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1930
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1931
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1932
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1933
PEPMASS=856.38
CHARGE=1
COLLISION_ENERGY=0.0
60.951	4.298
63.234001	3.121
69.067001	12.18
86.098	122.896004
91.055	38.370998
97.037003	15.521
146.981995	106.942001
178.779007	12.49
184.074005	55.098
217.811005	36.285999
218.201004	79.834
269.105011	141.524002
270.075989	93.25
297.100006	60.074001
303.213013	29.614
327.125	16.017
355.119995	6.552
370.144012	281.075989
388.153992	1567.097046
418.165985	3.148
420.179993	193.867004
END IONS
BEGIN IONS
SCANS=1934
PEPMASS=856.58099
CHARGE=1
COLLISION_ENERGY=0.0
67.051003	161.451004
71.085999	526.26001
81.07	146.917999
86.097	4448.37207
91.055	159.134995
95.085999	156.009003
146.981995	5774.987793
157.619995	2.332
184.072998	1494.047974
216.998001	80.973
217.966003	246.925995
219.787994	47.627998
220.151993	49.855
221.470993	1421.151978
283.136993	2.624
303.201996	603.059021
305.82901	3.058
319.660004	3.417
354.10199	14.424
370.144989	3.473
373.291992	2.572
382.468994	1.946
388.153015	9.648
413.423004	2.634
469.269012	4.975
470.52301	3.386
489.411011	3.14
513.237	6.834
517.671021	2.985
556.473022	3.466
621.453979	3.05
651.53302	254.033997
654.622986	3.43
673.515015	3830.4729
707.205017	1.033
718.572021	1.701
774.776978	1.877
786.801025	1.175
788.372009	0.728
END IONS
BEGIN IONS
SCANS=1935
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1936
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1937
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1938
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1939
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1940
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1941
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1942
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1943
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1944
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1945
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1946
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1947
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1948
PEPMASS=862.63098
CHARGE=1
COLLISION_ENERGY=0.0
60.081001	572.473999
71.073997	71.153999
86.097	2592.89502
104.108002	174.735992
107.488998	5.651
125.0	1215.024048
184.074005	14660.749023
185.076996	62.490002
216.875	5.219
217.171997	7.301
219.552002	19.711
221.479996	250.216003
303.20401	291.320007
304.493988	0.702
344.414001	0.572
369.799011	0.538
388.561005	0.946
427.984985	0.639
442.161987	1.034
443.164001	1.109
446.920013	0.611
481.631012	0.919
501.65799	0.884
506.723999	0.647
530.986023	0.511
553.086975	0.29
576.664001	0.508
595.315002	0.512
651.164978	0.504
674.747986	0.324
683.197998	0.687
703.68103	0.48
722.026001	0.54
END IONS
BEGIN IONS
SCANS=1949
PEPMASS=863.315
CHARGE=1
COLLISION_ENERGY=0.0
64.029999	16.399
82.248001	16.795
86.097	99.323997
95.035004	20.646
98.162003	18.097
125.0	25.368
149.692993	18.188999
163.389999	20.635
184.072998	278.256989
217.695999	133.257996
219.542999	56.514
228.233994	19.348
257.60199	18.665001
294.429993	22.323999
303.208008	36.637001
356.128998	17.51
374.136993	36.319
428.147003	576.159973
430.127991	40.033001
458.153992	450.621002
482.484985	18.615
END IONS
BEGIN IONS
SCANS=1950
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1951
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1952
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1953
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1954
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1955
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1956
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1957
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1958
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1959
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1960
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1961
PEPMASS=871.69702
CHARGE=2
COLLISION_ENERGY=0.0
175.132004	224.119995
184.072998	72.436996
186.834	56.946999
218.5	906.502991
221.901001	61.244999
233.173996	108.502998
265.710999	65.254997
303.200989	291.095001
378.446014	64.193001
410.312988	94.610001
END IONS
BEGIN IONS
SCANS=1962
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1963
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1964
PEPMASS=871.69702
CHARGE=2
COLLISION_ENERGY=0.0
175.132996	266.832001
221.455994	722.366028
226.871994	63.886002
228.304993	62.528999
233.173996	253.276001
311.32901	85.663002
329.540009	69.373001
350.257996	102.966003
369.372986	92.483002
541.138	90.043999
972.564026	97.361
990.54303	93.219002
END IONS
BEGIN IONS
SCANS=1965
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1966
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1967
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1968
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1969
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1970
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1971
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1972
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1973
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1974
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1975
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1976
PEPMASS=888.37097
CHARGE=1
COLLISION_ENERGY=0.0
66.278	3.774
86.097	30.912001
91.055	13.042
93.266998	6.467
104.107002	13.044
107.049004	5.003
135.080994	14.625
184.072998	59.182999
215.093994	30.063999
216.860001	70.099998
242.080994	27.129
268.061005	33.110001
270.075012	649.921021
298.106995	31.815001
303.20401	42.494999
344.128998	21.365999
379.562012	6.566
386.138	280.477997
404.148987	1365.448975
434.15799	5.707
436.174988	172.311005
END IONS
BEGIN IONS
SCANS=1977
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1978
PEPMASS=893.70801
CHARGE=2
COLLISION_ENERGY=0.0
128.100998	132.003006
131.074005	38.102001
175.132996	287.550995
175.319	40.521999
184.074005	272.608002
216.796005	382.419006
221.477997	275.81601
283.298004	43.778
303.209015	273.766998
342.170013	101.752998
566.151001	39.502998
613.565979	47.778
656.580994	64.400002
END IONS
BEGIN IONS
SCANS=1979
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1980
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1981
PEPMASS=893.71002
CHARGE=2
COLLISION_ENERGY=0.0
125.133003	68.884003
126.699997	45.948002
141.164001	37.139999
155.179001	392.604004
159.162003	48.216999
175.132996	2622.429932
216.783997	943.867981
216.994003	72.503998
221.460999	550.232971
225.257996	58.016998
233.175003	1775.447021
283.299011	756.664001
291.217987	12.207
303.205994	1259.217041
311.330994	231.600006
341.341003	1103.311035
369.372009	456.18399
398.072998	12.572
400.386993	10.112
401.161987	11.242
460.473999	9.345
468.703003	10.191
493.93399	9.423
518.560974	12.024
531.208984	9.906
564.088989	13.249
614.445007	8.995
619.328979	16.861
629.000977	7.455
663.677979	15.727
679.755981	7.36
722.161011	25.320999
806.95697	7.836
823.877014	9.182
1249.280029	14.753
1492.795044	14.198
END IONS
BEGIN IONS
SCANS=1982
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1983
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1984
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1985
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1986
PEPMASS=903.48901
CHARGE=1
COLLISION_ENERGY=0.0
63.298	36.268002
85.883003	27.570999
86.097	352.84201
104.107002	182.914993
111.002998	31.26
113.817001	33.889
163.016006	27.184999
182.895004	25.362
184.072998	193.593994
217.516006	183.123001
221.496002	86.459
224.304001	23.444
256.852997	24.916
283.997009	37.949001
301.0	449.989014
303.20401	45.339001
366.726013	31.267
370.174988	24.086
393.654999	29.344999
457.561005	22.122
465.917999	26.049999
469.471008	29.968
490.975006	30.214001
END IONS
BEGIN IONS
SCANS=1987
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1988
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1989
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1990
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1991
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1992
PEPMASS=915.72302
CHARGE=2
COLLISION_ENERGY=0.0
128.843002	101.968002
130.862	98.147003
145.516006	76.629997
159.436005	66.428001
172.235001	71.890999
175.132996	128.276001
219.337006	1030.640015
266.837006	70.630997
482.14801	81.901001
669.018005	94.573997
849.374023	79.346001
1329.708008	99.567001
END IONS
BEGIN IONS
SCANS=1993
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1994
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1995
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1996
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1997
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1998
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1999
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2000
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2001
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2002
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2003
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2004
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2005
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2006
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2007
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2008
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2009
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2010
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2011
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2012
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2013
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2014
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2015
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2016
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2017
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2018
PEPMASS=944.745
CHARGE=2
COLLISION_ENERGY=0.0
133.608002	58.404999
144.619003	34.716999
146.279999	34.945999
208.233002	42.222
216.787994	1204.599976
259.436005	44.348999
263.273987	37.928001
295.709991	33.976002
303.213989	219.397003
401.346008	49.745998
469.306	36.710999
623.219971	37.703999
747.947021	38.284
778.817017	54.750999
1456.535034	72.262001
END IONS
BEGIN IONS
SCANS=2019
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2020
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2021
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2022
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2023
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2024
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2025
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2026
PEPMASS=958.41302
CHARGE=1
COLLISION_ENERGY=0.0
69.033997	13.511
73.032997	11.187
78.238998	10.493
91.055	76.167
99.106003	10.822
113.059998	12.198
151.751007	10.564
193.330002	11.573
217.929993	82.059998
240.065002	47.268002
243.087997	32.748001
255.089996	11.37
256.059998	82.982002
303.199005	43.063999
328.131989	41.794998
333.816986	11.407
356.127014	342.506989
374.138	882.215027
376.153992	29.014999
406.164001	168.117996
END IONS
BEGIN IONS
SCANS=2027
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2028
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2029
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2030
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2031
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2032
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2033
PEPMASS=965.76801
CHARGE=2
COLLISION_ENERGY=0.0
159.574005	88.289001
175.132996	662.450989
178.0	45.150002
219.108002	988.487
228.822998	35.422001
233.175003	308.53299
253.289001	150.541
303.204987	331.794006
311.329987	294.446991
344.859009	43.122002
357.105011	30.906
369.373993	462.067993
370.371002	41.779999
557.258972	35.212002
563.411987	52.263
600.065002	36.278
612.856995	33.999001
636.179993	38.125
668.89502	53.134998
747.023987	48.396
858.117004	42.206001
1088.807007	46.412998
END IONS
BEGIN IONS
SCANS=2034
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2035
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2036
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2037
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2038
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2039
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2040
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2041
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2042
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2043
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2044
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2045
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2046
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2047
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2048
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2049
PEPMASS=991.67297
CHARGE=1
COLLISION_ENERGY=0.0
71.072998	6.575
75.704002	7.134
79.165001	8.293
86.097	122.178001
104.107002	654.22998
125.0	41.501999
167.029007	3.346
181.569	7.668
184.072998	825.968018
218.863998	19.357
258.109009	15.61
303.203003	31.577
313.272003	7.227
373.22699	7.609
478.32901	42.098999
492.342987	36.452999
493.182007	13.062
510.355988	131.231995
515.908997	12.225
END IONS
BEGIN IONS
SCANS=2050
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2051
PEPMASS=994.78699
CHARGE=2
COLLISION_ENERGY=0.0
140.848999	104.575996
145.671997	93.542
151.492996	68.307999
239.093994	259.998993
303.197998	509.764008
305.954987	84.196999
369.21701	98.866997
434.970001	77.722
475.794006	71.995003
535.197021	88.711998
564.992004	111.168999
597.866028	77.380997
637.989014	96.064003
717.276978	112.705002
718.289001	144.996994
END IONS
BEGIN IONS
SCANS=2052
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2053
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2054
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2055
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2056
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2057
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2058
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2059
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2060
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2061
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2062
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2063
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2064
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2065
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2066
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2067
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2068
PEPMASS=1038.81702
CHARGE=2
COLLISION_ENERGY=0.0
149.042999	134.158005
157.546997	97.332001
158.703003	99.483002
221.453995	751.380005
239.095001	153.037003
299.062012	263.279999
306.197998	102.452003
333.69101	80.390999
412.920013	86.793999
490.868011	86.306
659.684998	145.388
END IONS
BEGIN IONS
SCANS=2069
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2070
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2071
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2072
PEPMASS=1054.29797
CHARGE=1
COLLISION_ENERGY=0.0
73.046997	603.690979
75.027	11.331
82.744003	6.671
91.057999	826.71698
99.668999	6.809
149.044998	148.639008
153.479004	6.324
167.056	650.888977
221.084	84.501999
221.470001	66.524002
225.042999	481.040985
239.095001	750.35498
283.029999	50.377998
285.01001	401.628998
299.061005	1011.56897
303.204987	182.772995
342.997009	27.277
344.976013	192.973007
355.069	521.958008
359.028015	498.761993
415.036011	91.650002
418.994995	113.875999
429.087006	43.59
445.612	4.941
481.661011	2.353
535.60498	7.859
543.687988	1.027
578.58197	2.268
579.392029	8.644
656.044983	1.025
721.794006	11.697
821.598999	8.331
END IONS
BEGIN IONS
SCANS=2073
PEPMASS=1055.29895
CHARGE=1
COLLISION_ENERGY=0.0
73.042999	902.906006
74.047997	45.429001
91.057999	1192.088989
92.056999	26.433001
149.044998	253.173004
150.046005	8.452
167.056	961.992004
168.056	89.902
221.084	135.623001
225.042999	675.026978
226.042999	118.676003
227.022003	36.761002
239.095001	893.35498
240.095993	229.673996
285.01001	493.376007
299.062012	1131.328979
300.062012	420.033997
355.069	524.926025
356.070007	284.460999
359.028015	550.494019
360.028992	262.765991
415.036011	97.877998
416.036011	59.662998
418.994995	94.253998
419.993988	52.234001
429.088989	33.863998
430.088013	21.964001
483.428009	5.829
513.216003	2.502
527.642029	2.534
583.65802	0.505
683.156006	0.57
700.773987	1.898
713.844971	5.343
740.750977	5.66
925.494019	1.685
END IONS
BEGIN IONS
SCANS=2074
PEPMASS=1056.29504
CHARGE=1
COLLISION_ENERGY=0.0
73.046997	197.192001
79.448997	31.606001
89.919998	25.268999
91.057999	298.0
107.337997	27.155001
152.996994	29.43
167.054993	195.755005
184.074005	42.932999
196.380005	29.440001
221.470001	184.955994
225.042007	161.899002
239.095993	83.810997
240.095993	20.888
285.009003	23.879
299.061005	239.630997
300.062988	88.737999
301.061005	18.091999
355.070007	56.332001
357.06601	23.174999
359.028992	38.778999
361.029999	41.220001
632.955017	43.500999
END IONS
BEGIN IONS
SCANS=2075
PEPMASS=1060.29395
CHARGE=2
COLLISION_ENERGY=0.0
146.166	97.383003
153.694	28.943001
167.054993	262.720001
168.056	21.455999
218.947998	110.431
221.462006	445.453003
227.039993	35.769001
228.380005	31.985001
239.095001	232.003998
241.093002	233.645004
299.061005	396.540009
300.061005	153.841995
301.059998	579.094971
302.05899	34.783001
303.205994	157.537994
357.066986	385.700012
359.027008	31.896
361.024994	335.30899
369.501007	26.219
402.924988	21.558001
596.232971	85.120003
608.513977	31.902
619.231995	27.457001
633.955994	33.441002
706.132019	44.845001
END IONS
BEGIN IONS
SCANS=2076
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2077
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2078
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2079
PEPMASS=1070.85498
CHARGE=1
COLLISION_ENERGY=0.0
75.536003	25.153999
81.037003	42.160999
86.097	913.13501
89.920998	20.169001
102.080002	17.957001
148.705002	32.409
185.003998	26.677
212.936996	40.702
220.462006	41.194
221.462997	337.347992
280.377991	20.833
287.177002	39.507999
419.272003	413.112
431.442993	17.153999
437.285004	940.557983
459.539001	21.093
END IONS
BEGIN IONS
SCANS=2080
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2081
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2082
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2083
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2084
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2085
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2086
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2087
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2088
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2089
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2090
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2091
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2092
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2093
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2094
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2095
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2096
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2097
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2098
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2099
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2100
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2101
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2102
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2103
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2104
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2105
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2106
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2107
PEPMASS=1239.88696
CHARGE=1
COLLISION_ENERGY=0.0
86.091003	176.070007
98.984001	6.399
104.107002	7.032
125.0	102.291
137.296997	6.632
148.554993	6.928
184.072998	1599.312988
212.987	8.159
216.673004	8.073
218.289001	38.507999
245.789993	2.39
268.69101	2.748
290.096008	7.292
303.20401	25.499001
END IONS
BEGIN IONS
SCANS=2108
PEPMASS=1253.90295
CHARGE=1
COLLISION_ENERGY=0.0
98.984001	19.892
100.364998	4.907
104.107002	124.490997
125.0	96.736
126.042999	4.745
134.112	4.976
184.072998	1624.43396
198.087997	4.444
211.238998	4.288
221.503006	24.997
244.778	4.207
263.975006	2.705
349.341003	2.771
392.105011	4.093
410.177002	4.213
419.924988	2.356
478.32901	10.132
496.338989	39.928001
514.299988	6.623
531.10498	3.413
END IONS
BEGIN IONS
SCANS=2109
PEPMASS=1267.91895
CHARGE=1
COLLISION_ENERGY=0.0
94.114998	3.878
94.765999	2.67
98.984001	26.436001
104.107002	211.358002
125.0	145.949005
125.709	2.528
184.072998	2391.613037
198.089996	12.077
210.636002	2.622
218.007004	16.240999
222.639008	2.684
236.990997	2.804
297.296997	2.472
303.200012	24.679001
320.583008	2.559
327.286011	2.877
339.902008	2.344
392.335999	2.413
491.665009	2.353
492.342987	19.737
499.825012	2.601
510.355011	85.438004
557.189026	2.748
612.140991	2.58
644.664001	3.173
689.104004	2.824
704.708008	3.307
756.577026	3.249
END IONS
BEGIN IONS
SCANS=2110
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2111
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2112
PEPMASS=1281.93396
CHARGE=1
COLLISION_ENERGY=0.0
98.563004	4.498
98.985001	21.618999
104.107002	191.104996
119.074997	3.326
125.0	151.322006
184.072998	2349.562012
185.076996	32.963001
186.076996	4.662
198.089996	4.35
218.130005	14.991
221.5	30.882
253.951004	3.689
269.117004	3.252
287.178986	2.855
303.200012	12.0
371.285004	2.79
400.352997	3.821
506.359985	23.287001
524.367981	87.071999
758.567993	38.417999
END IONS
BEGIN IONS
SCANS=2113
PEPMASS=1291.91602
CHARGE=1
COLLISION_ENERGY=0.0
93.872002	14.106
99.887001	9.829
104.107002	82.375999
120.061996	9.786
125.0	91.938004
146.981995	27.146
160.494003	4.051
184.074005	1557.776001
206.378006	12.679
217.679993	28.728001
219.617996	48.151001
259.813995	9.344
303.212006	6.03
370.322998	4.639
382.798004	4.06
492.339996	6.58
510.355988	33.408001
731.971985	5.212
782.565002	44.160999
END IONS
BEGIN IONS
SCANS=2114
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2115
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2116
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2117
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2118
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2119
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2120
PEPMASS=1431.90906
CHARGE=1
COLLISION_ENERGY=0.0
100.075996	27.507999
113.059998	68.848
114.092003	7.786
116.085999	428.140015
127.075996	20.403
158.117996	1333.151001
206.186996	2.688
221.169998	11.965
221.485001	27.736
225.645004	6.516
315.187012	7.152
330.837006	3.229
365.230011	3.704
540.353027	51.174999
END IONS
BEGIN IONS
SCANS=2121
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2122
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2123
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2124
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2125
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2126
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2127
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2128
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2129
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2130
PEPMASS=1492.13098
CHARGE=1
COLLISION_ENERGY=0.0
104.107002	65.295998
105.014	2.163
108.318001	3.05
115.283997	2.385
121.658997	3.522
125.0	475.755005
184.072998	6751.847168
185.076996	159.123993
186.078003	2.234
198.089005	83.802002
221.473999	177.688995
241.358002	2.193
290.915985	2.776
303.200989	54.001999
314.151001	2.681
314.932007	3.302
345.328003	2.133
361.57901	2.235
401.687988	2.001
404.843994	2.069
426.126007	1.696
452.70401	3.145
532.406006	3.241
634.836975	2.582
683.122009	3.08
693.353027	3.277
714.669983	3.575
727.827026	2.859
734.562012	71.080002
758.565002	77.964996
790.187012	2.796
798.96698	3.105
804.937988	3.38
1107.712036	3.795
END IONS
BEGIN IONS
SCANS=2131
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2132
PEPMASS=1516.13306
CHARGE=1
COLLISION_ENERGY=0.0
104.858002	1.543
105.081001	2.158
108.847	2.642
114.248001	2.093
117.737999	8.248
124.998001	1541.889038
184.072998	21358.423828
184.992996	0.48
198.089005	266.307007
218.154999	2.3
218.389999	0.368
221.457001	10.536
303.201996	172.488007
308.065002	6.977
340.348999	0.057
361.726013	0.112
362.566986	0.077
379.281006	0.092
411.003998	0.102
438.052002	0.063
464.562012	0.073
478.325989	0.982
496.338989	23.889999
502.332001	0.26
523.219971	0.067
528.992004	0.145
554.16803	0.044
573.421021	0.041
576.812988	0.065
597.344971	0.035
605.088013	0.039
646.114014	0.09
678.23999	0.155
687.35199	0.198
717.580994	2.318
721.846008	0.291
722.56897	4.654
758.56897	579.531982
772.575989	0.432
823.419006	0.093
871.796997	0.093
878.093018	0.052
912.435974	0.056
996.085022	0.043
1082.582031	0.11
1093.631958	0.083
1353.661011	0.064
END IONS
BEGIN IONS
SCANS=2133
PEPMASS=1517.13599
CHARGE=1
COLLISION_ENERGY=0.0
106.758003	1.501
111.716003	0.563
124.997002	190.856003
126.002998	2.601
184.072998	2599.050049
185.076996	149.705994
198.089005	32.57
243.720993	0.803
247.274994	0.805
265.265991	0.832
303.199005	10.231
308.065002	2.523
341.997986	0.888
360.627014	0.555
403.936005	0.981
442.566986	0.781
477.98999	0.575
483.546997	0.582
496.338013	1.001
497.339996	0.603
587.200012	0.811
END IONS
BEGIN IONS
SCANS=2134
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2135
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2136
PEPMASS=1530.15796
CHARGE=1
COLLISION_ENERGY=0.0
106.163002	8.417
108.223	10.207
115.794998	7.659
125.0	220.199997
184.072998	3398.349121
185.076996	60.005001
198.089005	23.523001
221.477005	147.542999
264.627014	4.754
269.175995	5.222
280.648987	4.83
303.196991	7.27
340.244995	6.503
342.131989	4.215
361.101013	6.42
377.401001	6.67
461.18399	6.796
466.213013	6.302
477.667999	5.074
550.66803	7.547
691.379028	7.304
726.109009	6.392
758.557007	12.968
END IONS
BEGIN IONS
SCANS=2137
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2138
PEPMASS=0.0
CHARGE=0
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2139
PEPMASS=1540.13098
CHARGE=1
COLLISION_ENERGY=0.0
109.501999	3.328
122.68	2.492
125.0	122.886002
130.272003	4.559
169.988007	4.841
184.074005	1708.307983
198.089005	22.075001
217.373001	38.011002
217.742004	18.302
218.442001	4.834
258.927002	2.877
262.993988	4.675
292.154999	2.652
300.214996	2.699
303.212006	18.763
494.187988	2.778
697.130005	2.459
758.567993	31.155001
END IONS
BEGIN IONS
SCANS=2140
PEPMASS=1542.14404
CHARGE=1
COLLISION_ENERGY=0.0
106.377998	7.422
111.393997	2.04
119.939003	2.408
125.0	334.812012
126.002998	0.808
126.944	0.861
184.072998	4211.849121
185.076996	181.613998
186.078003	19.285999
198.089005	41.497002
217.960007	10.58
220.225998	29.732
243.916	1.368
303.201996	20.091
376.281006	3.439
379.52301	1.754
382.863007	0.83
496.346985	1.267
502.330994	0.979
580.815002	0.832
585.505981	4.676
717.835022	1.73
758.567993	41.583
759.572998	11.566
760.575012	12.245
782.567993	7.569
783.572021	1.575
784.577026	27.554001
872.460999	2.132
916.442993	1.779
981.598999	1.206
1198.932983	2.237
END IONS
BEGIN IONS
SCANS=2141
PEPMASS=1544.16101
CHARGE=1
COLLISION_ENERGY=0.0
107.331001	1.137
107.917	2.941
110.601997	0.872
110.964996	2.622
121.444	2.482
124.999001	1766.837036
184.072998	23351.232422
185.076996	629.625
186.078003	77.693001
198.089005	314.834015
217.141998	1.655
221.473999	17.368999
257.161011	0.122
294.394989	0.093
303.199005	130.302994
308.06601	5.72
327.256012	0.088
348.902008	0.079
360.98999	0.034
361.165009	0.033
373.09201	0.024
380.085999	0.027
439.553986	0.01
439.928009	0.075
453.967987	0.021
469.002014	0.015
493.90799	0.013
496.34201	4.597
502.328003	0.12
532.047974	0.012
553.049011	0.013
559.315002	0.012
575.507996	0.014
721.156006	0.021
721.538025	0.128
722.598022	0.099
758.567993	337.355011
759.56897	28.155001
760.580994	30.455999
784.583008	39.769001
785.588013	33.222
786.598022	214.546005
840.72699	0.037
849.963013	0.017
879.601013	0.015
924.669983	0.027
936.099976	0.018
981.072021	0.024
1045.963989	0.012
END IONS
BEGIN IONS
SCANS=2142
PEPMASS=1554.146
CHARGE=2
COLLISION_ENERGY=0.0
221.468002	524.666992
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1118.077026	62.266998
END IONS
BEGIN IONS
SCANS=2143
PEPMASS=1554.15503
CHARGE=1
COLLISION_ENERGY=0.0
116.736	10.976
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END IONS
BEGIN IONS
SCANS=2144
PEPMASS=1558.18103
CHARGE=1
COLLISION_ENERGY=0.0
109.777	8.664
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BEGIN IONS
SCANS=2145
PEPMASS=1568.16199
CHARGE=1
COLLISION_ENERGY=0.0
111.075996	3.777
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BEGIN IONS
SCANS=2146
PEPMASS=1570.17505
CHARGE=1
COLLISION_ENERGY=0.0
114.755997	1.477
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END IONS
BEGIN IONS
SCANS=2147
PEPMASS=1578.15906
CHARGE=1
COLLISION_ENERGY=0.0
109.727997	13.856
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END IONS
BEGIN IONS
SCANS=2148
PEPMASS=1579.15601
CHARGE=1
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SCANS=2149
PEPMASS=1580.16699
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SCANS=2150
PEPMASS=1582.18201
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COLLISION_ENERGY=0.0
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SCANS=2152
PEPMASS=1592.16296
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COLLISION_ENERGY=0.0
110.347	2.88
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BEGIN IONS
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PEPMASS=1596.19104
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COLLISION_ENERGY=0.0
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PEPMASS=1644.19299
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COLLISION_ENERGY=0.0
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END IONS
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                nf_output/clustering/clusterinfo.tsv                                                                0000644 0000000 0000000 00001007675 14572074175 017105  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   #ClusterIdx	#Filename	#SpecIdx	#Scan	#ParentMass	#Charge	#RetTime	#PrecIntensity
1	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	247	1051	200.09	1	3.220833333333333	446687.0
1	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2680	4253	200.107	1	9.138066666666667	895918.0
2	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	907	2119	200.165	1	5.5220666666666665	487604.0
2	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3120	4822	200.164	1	10.103683333333333	398838.0
8	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	338	1247	202.084	1	3.731133333333333	686981.0
8	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1682	3053	202.086	1	7.112983333333333	924114.0
9	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	276	1116	202.086	1	3.3929666666666667	695565.0
9	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	305	1181	202.085	1	3.5625	588206.0
17	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	906	2117	203.179	1	5.518383333333333	675672.0
17	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	988	2217	203.179	1	5.691766666666666	795886.0
17	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1258	2543	203.179	1	6.2463500000000005	1415280.0
22	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	197	898	205.097	1	2.7788166666666667	737556.0
22	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	241	1039	205.097	1	3.1910833333333333	920769.0
25	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2731	4314	205.195	1	9.241583333333333	7387250.0
25	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2875	4490	205.195	1	9.535883333333334	724791.0
25	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2950	4589	205.195	1	9.705016666666667	3900290.0
25	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3104	4799	205.195	1	10.063316666666667	498596.0
27	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	157	704	206.081	1	2.1700999999999997	685801.0
27	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	180	809	206.081	1	2.495766666666667	1099810.0
27	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	189	862	206.081	1	2.6655	1012580.0
27	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	302	1175	206.081	1	3.5478333333333336	761021.0
29	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4746	7542	207.032	1	15.490366666666667	464894.0
29	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4763	7601	207.032	1	15.6645	552094.0
29	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4778	7658	207.032	1	15.835316666666667	544770.0
30	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	628	1742	207.065	1	4.826099999999999	1071400.0
30	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	666	1803	207.077	1	4.9575499999999995	1467780.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	209	954	207.159	1	2.9526833333333333	620065.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	259	1076	207.159	1	3.2861666666666665	713815.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	349	1278	207.159	1	3.8167833333333334	691374.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	405	1372	207.159	1	4.01525	907383.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	447	1448	207.159	1	4.185866666666667	793478.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	501	1540	207.159	1	4.391933333333333	930644.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	546	1627	207.159	1	4.61245	788643.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	612	1721	207.159	1	4.7857	1030730.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	695	1841	207.159	1	5.025333333333333	759373.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	772	1942	207.159	1	5.207016666666666	782062.0
31	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	989	2218	207.159	1	5.693416666666667	615031.0
36	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	7	30	208.944	1	0.0931765	490154.0
36	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	38	308	208.944	1	1.0173683333333332	520367.0
36	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	74	421	208.944	1	1.3447266666666666	529102.0
42	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1006	2239	211.087	1	5.72905	804015.0
42	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1416	2733	211.087	1	6.571433333333333	982260.0
42	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1504	2839	211.087	1	6.751383333333334	1189980.0
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541	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4638	7065	312.362	1	14.0488	368797.0
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571	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3000	4655	319.283	1	9.81705	386154.0
571	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3271	5029	319.284	1	10.458283333333332	1041520.0
573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	694	1840	320.112	1	5.023666666666667	2615520.0
573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	767	1936	320.113	1	5.1965	1001160.0
573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1044	2284	320.113	1	5.806133333333333	569586.0
573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1264	2550	320.113	1	6.2582	839879.0
573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1422	2740	320.113	1	6.583316666666667	796984.0
582	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1095	2347	321.242	1	5.915616666666667	879761.0
582	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2761	4351	321.243	1	9.302466666666668	620412.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1479	2809	323.103	1	6.701483333333333	220623000.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1568	2916	323.103	1	6.88065	4888820.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1655	3021	323.103	1	7.058366666666667	1622390.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1743	3127	323.103	1	7.2406500000000005	1038390.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1875	3287	323.102	1	7.51325	933586.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1960	3389	323.102	1	7.684566666666667	564855.0
585	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2083	3536	323.103	1	7.933766666666667	664627.0
588	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3014	4675	324.289	1	9.853233333333332	1479660.0
588	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3085	4775	324.289	1	10.023483333333333	1741540.0
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590	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2678	4250	325.237	1	9.13315	1983350.0
590	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2819	4420	325.237	1	9.419483333333334	1883670.0
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593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2453	3980	326.378	1	8.680716666666665	945130.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2547	4093	326.378	1	8.869516666666668	1406750.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2769	4360	326.378	1	9.317483333333334	2326520.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2870	4484	326.377	1	9.526016666666667	1973970.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2947	4584	326.378	1	9.69695	1490330.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3094	4786	326.378	1	10.041916666666667	1875560.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3165	4886	326.378	1	10.211566666666666	1603550.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3239	4985	326.378	1	10.380483333333332	1577150.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3321	5092	326.378	1	10.5632	1676940.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3394	5191	326.378	1	10.7306	1485940.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3473	5296	326.378	1	10.907350000000001	1602370.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3531	5392	326.378	1	11.075666666666667	1131420.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3595	5489	326.378	1	11.249033333333333	811147.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3666	5587	326.378	1	11.417666666666666	866661.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3728	5686	326.378	1	11.591533333333333	996399.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3788	5782	326.377	1	11.763499999999999	570466.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3852	5879	326.378	1	11.93385	792709.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3919	5978	326.378	1	12.1051	782562.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3985	6078	326.378	1	12.27565	558336.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4125	6280	326.378	1	12.623533333333334	582391.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4191	6378	326.378	1	12.795466666666666	626052.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4264	6480	326.378	1	12.970516666666667	708331.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4330	6577	326.378	1	13.142233333333333	497628.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4392	6671	326.378	1	13.31205	464213.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4451	6768	326.378	1	13.4916	565912.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4505	6857	326.378	1	13.662049999999999	461455.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4560	6948	326.378	1	13.835716666666666	526414.0
593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4624	7045	326.378	1	14.013333333333332	492934.0
598	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	352	1281	328.071	1	3.8217833333333333	785434.0
598	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	400	1365	328.071	1	4.002366666666666	1185600.0
603	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	894	2103	329.211	1	5.49255	1720770.0
603	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1565	2912	329.211	1	6.873916666666667	3664620.0
603	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2191	3666	329.211	1	8.1514	2691780.0
603	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2391	3906	329.211	1	8.554916666666665	1411590.0
609	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1544	2887	330.191	1	6.830299999999999	1475490.0
609	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1991	3426	330.191	1	7.7469166666666665	2407430.0
618	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3101	4795	333.3	1	10.0569	725332.0
618	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3171	4894	333.3	1	10.225999999999999	1647700.0
618	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3246	4996	333.3	1	10.400883333333333	2868620.0
618	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3325	5098	333.3	1	10.572849999999999	8440420.0
618	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3402	5202	333.3	1	10.749433333333334	8348910.0
618	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3476	5302	333.3	1	10.918983333333333	2907750.0
630	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1566	2913	336.123	1	6.875583333333334	3168790.0
630	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1986	3420	336.123	1	7.7367333333333335	4283470.0
635	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2315	3815	337.167	1	8.400783333333333	691188.0
635	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2464	3994	337.167	1	8.703949999999999	696971.0
635	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2558	4106	337.167	1	8.891283333333332	585337.0
635	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3048	4721	337.167	1	9.930783333333332	893894.0
635	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3149	4860	337.166	1	10.166133333333333	655575.0
635	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3224	4962	337.167	1	10.33985	591172.0
636	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	774	1945	337.237	1	5.212233333333333	273045.0
636	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	905	2116	337.237	1	5.516733333333334	1010810.0
636	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1049	2290	337.237	1	5.816599999999999	604307.0
643	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4475	6802	338.342	1	13.553883333333333	335899.0
643	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4529	6893	338.342	1	13.728516666666668	358917.0
646	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2812	4412	339.252	1	9.406133333333335	2131930.0
646	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2896	4516	339.253	1	9.579416666666667	1955810.0
646	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2971	4617	339.253	1	9.7527	1680810.0
647	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3320	5091	339.289	1	10.561533333333333	3263690.0
647	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3605	5502	339.289	1	11.27425	981272.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2303	3800	340.357	1	8.376166666666666	1248700.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2393	3908	340.358	1	8.558283333333332	1001950.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2480	4013	340.357	1	8.735166666666666	1351790.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2575	4127	340.357	1	8.9279	1559510.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2670	4241	340.357	1	9.118599999999999	1824710.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2757	4346	340.357	1	9.294683333333333	2639950.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3006	4665	340.357	1	9.835083333333333	1743530.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3676	5606	340.358	1	11.454416666666667	488632.0
650	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3934	5999	340.358	1	12.1396	494942.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2993	4646	340.394	1	9.8023	1670830.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3068	4748	340.393	1	9.975349999999999	1443840.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3144	4854	340.394	1	10.156316666666667	1286390.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3220	4957	340.393	1	10.331700000000001	921051.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3294	5059	340.393	1	10.508983333333333	1147840.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3377	5164	340.394	1	10.684833333333334	1198490.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3455	5271	340.394	1	10.865283333333334	798880.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3586	5471	340.393	1	11.214866666666667	469326.0
651	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3854	5881	340.393	1	11.937283333333333	404981.0
656	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1753	3140	342.149	1	7.264866666666666	1869530.0
656	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2529	4072	342.148	1	8.832666666666666	2107520.0
663	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2929	4557	685.564	2	9.6496	401782.0
663	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3001	4657	685.563	2	9.8202	471114.0
663	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3076	4758	685.563	2	9.991833333333334	572764.0
663	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3148	4859	685.561	2	10.164449999999999	517045.0
667	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	424	1399	345.053	1	4.067	643015.0
667	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	470	1493	345.053	1	4.299616666666666	2494920.0
669	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	817	2004	345.206	1	5.31985	618388.0
669	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1019	2254	345.206	1	5.754499999999999	517069.0
669	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2006	3444	345.206	1	7.77885	2180630.0
671	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2106	3564	346.143	1	7.980066666666667	5599980.0
671	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2396	3912	346.144	1	8.5648	1482480.0
671	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2691	4266	346.143	1	9.159716666666666	12351800.0
675	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	101	466	346.223	1	1.44315	1150180.0
675	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	178	802	346.223	1	2.4757666666666664	317192.0
679	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1549	2893	347.221	1	6.840483333333333	1297980.0
679	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1688	3060	347.222	1	7.124866666666667	1513190.0
681	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	891	2099	347.222	1	5.4853499999999995	1222870.0
681	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1260	2545	347.222	1	6.249716666666667	676456.0
689	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1085	2335	349.237	1	5.895433333333333	921791.0
689	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1681	3052	349.238	1	7.1113333333333335	1342970.0
689	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2168	3638	349.237	1	8.105266666666667	1143370.0
693	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2271	3762	350.138	1	8.312999999999999	1110850.0
693	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2466	3996	350.139	1	8.706866666666667	54350100.0
693	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2554	4102	350.138	1	8.884333333333332	1171490.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3102	4796	350.326	1	10.058566666666668	674208.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3176	4900	350.326	1	10.23635	2134620.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3249	5000	350.326	1	10.407516666666668	3024720.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3328	5102	350.326	1	10.579466666666667	8812400.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3405	5206	350.326	1	10.757483333333333	7476780.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3479	5307	350.326	1	10.928466666666667	2725280.0
696	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3537	5403	350.326	1	11.097100000000001	442590.0
698	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1014	2248	351.253	1	5.744383333333333	970885.0
698	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1445	2767	351.253	1	6.629216666666666	1071950.0
698	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2014	3454	351.253	1	7.7956666666666665	555001.0
698	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2215	3695	351.253	1	8.200933333333333	843517.0
698	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4272	6490	351.268	1	12.987533333333333	391734.0
699	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	350	1279	352.095	1	3.81845	1010960.0
699	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	398	1360	352.096	1	3.9927	615685.0
707	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3922	5981	705.593	2	12.11025	430985.0
707	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3992	6086	705.593	2	12.2891	636231.0
707	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4059	6185	705.593	2	12.45995	620393.0
709	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1646	3009	354.148	1	7.037933333333333	836383.0
709	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2156	3624	354.149	1	8.080233333333334	3478610.0
711	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2758	4347	354.318	1	9.296349999999999	843741.0
711	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3054	4729	354.318	1	9.944016666666666	577258.0
711	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3125	4829	354.319	1	10.115183333333333	607470.0
712	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3643	5552	354.372	1	11.355566666666666	600190.0
712	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3705	5650	354.372	1	11.527099999999999	1718540.0
712	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3765	5745	354.373	1	11.697049999999999	1102930.0
712	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3829	5843	354.373	1	11.8694	667380.0
713	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4745	7541	355.07	1	15.488716666666667	277366.0
713	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4762	7599	355.07	1	15.659733333333332	343705.0
713	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4777	7656	355.07	1	15.830566666666666	348500.0
713	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4792	7713	355.07	1	16.000983333333334	327024.0
720	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	365	1298	356.067	1	3.8525	1230540.0
720	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	406	1375	356.067	1	4.021616666666667	1319750.0
721	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1165	2431	356.128	1	6.0581	2511840.0
721	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1184	2454	356.11	1	6.095533333333334	3158630.0
721	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1534	2875	356.128	1	6.81045	7348080.0
721	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1855	3263	356.127	1	7.4718	2915010.0
721	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2013	3452	356.128	1	7.792366666666666	1164800.0
721	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2118	3578	356.128	1	8.00295	4659540.0
724	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	839	2032	713.421	2	5.3680666666666665	759161.0
724	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2881	4497	713.423	2	9.547566666666667	281980.0
724	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2978	4627	713.421	2	9.770816666666667	315814.0
724	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3053	4728	713.422	2	9.942350000000001	475702.0
724	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3126	4830	713.42	2	10.11685	405833.0
729	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1268	2555	358.144	1	6.26675	1174280.0
729	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1638	3000	358.143	1	7.022716666666667	1846730.0
729	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2162	3631	358.143	1	8.09195	2925420.0
729	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2603	4160	358.144	1	8.98075	41887800.0
731	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	223	1000	358.166	1	3.08685	339925.0
731	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	315	1197	358.166	1	3.6013333333333337	363361.0
739	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1751	3137	360.16	1	7.257983333333333	1751320.0
739	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2003	3440	360.159	1	7.772116666666666	867594.0
740	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	114	483	360.219	1	1.475095	1150940.0
740	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	200	909	360.238	1	2.8109333333333333	706041.0
748	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1329	2628	362.139	1	6.392616666666667	1670780.0
748	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1522	2861	362.138	1	6.7877833333333335	544627.0
748	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1689	3062	362.139	1	7.128316666666667	7734240.0
753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	727	1884	363.216	1	5.101016666666666	853585.0
753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	824	2013	363.217	1	5.335766666666667	552092.0
762	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1354	2658	365.232	1	6.44335	1341360.0
762	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1937	3361	365.232	1	7.63745	6742560.0
762	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2368	3878	365.233	1	8.507083333333334	837832.0
763	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1482	2813	365.232	1	6.7080166666666665	4847550.0
763	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1575	2924	365.232	1	6.894316666666667	2629100.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1065	2311	367.248	1	5.854583333333333	679001.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1263	2549	367.248	1	6.2565333333333335	889754.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1570	2918	367.248	1	6.884083333333334	2971760.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1663	3030	367.248	1	7.073466666666667	1478660.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1747	3132	367.248	1	7.249366666666666	633997.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2002	3439	367.248	1	7.770433333333333	859572.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2090	3545	367.248	1	7.94865	774423.0
772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2179	3652	367.248	1	8.12795	4884110.0
774	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4391	6669	368.388	1	13.308616666666667	345884.0
774	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4448	6764	368.389	1	13.484566666666666	919045.0
780	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1009	2242	369.264	1	5.734083333333333	746808.0
780	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2206	3684	369.264	1	8.183083333333334	8498320.0
783	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1336	2637	370.144	1	6.4078333333333335	4300320.0
783	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1757	3144	370.144	1	7.271583333333334	837977.0
783	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2017	3457	370.144	1	7.8008	1682610.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2953	4593	371.101	1	9.7129	601388.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3403	5203	371.101	1	10.751133333333334	1209840.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3720	5675	371.101	1	11.571716666666667	1108020.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4684	7189	371.101	1	14.3657	338273.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4693	7243	371.101	1	14.5389	436612.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4702	7296	371.102	1	14.7082	496031.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4710	7349	371.102	1	14.879366666666666	445606.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4718	7402	371.102	1	15.0513	477064.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4727	7455	371.101	1	15.220216666666666	482431.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4739	7510	371.102	1	15.391133333333332	488270.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4755	7567	371.101	1	15.560483333333334	902604.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4772	7625	371.101	1	15.731466666666668	979470.0
786	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4787	7682	371.101	1	15.901966666666668	1099290.0
791	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3027	4692	741.626	2	9.881416666666667	419739.0
791	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3135	4842	741.627	2	10.13665	399288.0
791	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3229	4969	741.625	2	10.353483333333333	455826.0
791	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3307	5075	741.624	2	10.534783333333333	561115.0
791	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3477	5304	741.626	2	10.92365	469212.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	847	2044	374.139	1	5.3898166666666665	366688.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	929	2146	374.139	1	5.569683333333333	747641.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1016	2251	374.139	1	5.7495	1258350.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1104	2358	374.139	1	5.93405	1351720.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1191	2463	374.139	1	6.110433333333333	4465740.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1276	2565	374.139	1	6.28385	3761360.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1361	2667	374.139	1	6.458600000000001	5383320.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1446	2769	374.139	1	6.632633333333334	5082280.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1532	2873	374.138	1	6.807	307677000.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1617	2975	374.139	1	6.980883333333334	9455720.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1704	3080	374.139	1	7.1591499999999995	1501450.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1789	3184	374.139	1	7.340066666666667	7038470.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1874	3286	374.139	1	7.511583333333333	22672700.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1959	3388	374.139	1	7.682883333333334	4310690.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2044	3490	374.139	1	7.855583333333333	1495740.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2129	3592	374.138	1	8.027033333333334	57946200.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2236	3720	374.139	1	8.241433333333333	5144380.0
799	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2333	3836	374.138	1	8.437066666666666	969949.0
801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1656	3022	376.155	1	7.06005	10368000.0
801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2419	3940	376.154	1	8.612150000000002	75418500.0
801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2505	4043	376.154	1	8.784833333333333	1259510.0
801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2673	4244	376.154	1	9.123683333333334	706654.0
801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2955	4596	376.154	1	9.71775	359916.0
802	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2171	3642	376.154	1	8.111233333333333	81347700.0
802	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2763	4353	376.155	1	9.305833333333334	503711.0
802	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3202	4933	376.154	1	10.292466666666666	7490250.0
809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3154	4866	377.325	1	10.175633333333334	422784.0
809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3234	4976	377.326	1	10.364916666666666	1704130.0
809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3308	5077	377.326	1	10.5379	2379030.0
809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3385	5178	377.326	1	10.709216666666666	2243340.0
809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3462	5281	377.326	1	10.881266666666667	1282730.0
813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2105	3563	378.17	1	7.9783833333333325	1919260.0
813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2996	4650	378.17	1	9.80885	526293.0
823	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3185	4910	380.338	1	10.253283333333334	489059.0
823	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3264	5020	380.338	1	10.443216666666666	832774.0
826	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2097	3553	381.159	1	7.962016666666667	1880920.0
826	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2939	4572	381.16	1	9.677316666666666	584207.0
833	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3145	4855	381.3	1	10.158	417866.0
833	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3601	5498	381.299	1	11.267516666666667	8434780.0
833	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3828	5841	381.3	1	11.866333333333333	1147070.0
835	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1624	2983	382.165	1	6.994316666666666	6524450.0
835	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1740	3123	382.165	1	7.233733333333333	710939.0
835	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2087	3541	382.165	1	7.942083333333333	1851980.0
835	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2467	3997	382.164	1	8.70855	1768570.0
840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1353	2657	383.243	1	6.441683333333333	1374420.0
840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1490	2822	383.243	1	6.722700000000001	2097400.0
840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1577	2927	383.243	1	6.899466666666667	2661990.0
840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1941	3366	383.243	1	7.645783333333333	7811340.0
840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2503	4040	383.243	1	8.780416666666667	994806.0
843	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1833	3236	384.159	1	7.426416666666666	8299190.0
843	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2231	3714	384.159	1	8.231533333333333	3118540.0
845	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3044	4715	767.643	2	9.919433333333334	594501.0
845	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3240	4986	767.644	2	10.38215	376892.0
845	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3399	5198	767.64	2	10.7432	286853.0
849	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	930	2147	385.259	1	5.571366666666666	1357870.0
849	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1057	2300	385.259	1	5.833833333333333	774362.0
849	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1390	2701	385.258	1	6.517133333333334	1687650.0
849	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1669	3038	385.258	1	7.086749999999999	3175890.0
849	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2167	3637	385.259	1	8.1036	719527.0
851	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1591	2943	386.139	1	6.926783333333334	1483810.0
851	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1976	3408	386.139	1	7.7164166666666665	7608320.0
851	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2753	4341	386.139	1	9.286416666666666	913681.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1860	3269	388.153	1	7.48175	5177500.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2253	3740	388.154	1	8.2764	3849560.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2561	4110	388.154	1	8.897766666666666	1006460.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2835	4441	388.154	1	9.454616666666668	350394000.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2921	4547	388.154	1	9.631916666666665	6186100.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2994	4648	388.154	1	9.805433333333333	1698930.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3072	4753	388.154	1	9.983683333333333	995732.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3143	4853	388.154	1	10.154633333333333	569614.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3223	4961	388.155	1	10.338183333333335	482817.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3296	5062	388.154	1	10.513366666666666	485116.0
858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3382	5171	388.153	1	10.696083333333332	656807.0
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859	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2424	3946	388.154	1	8.622066666666665	1003690.0
860	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	936	2154	388.154	1	5.583349999999999	1208690.0
860	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1020	2256	388.155	1	5.758	1834490.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	879	2085	390.134	1	5.461283333333333	1966150.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1101	2355	390.134	1	5.92905	9156940.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1223	2501	390.134	1	6.173683333333333	1660160.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1309	2604	390.134	1	6.3519	2214890.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1397	2710	390.134	1	6.5324333333333335	5780180.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1485	2816	390.134	1	6.71275	2419350.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1576	2925	390.134	1	6.896	2291780.0
865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1730	3111	390.134	1	7.212783333333333	1476800.0
868	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2071	3522	390.17	1	7.908533333333334	1087550.0
868	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2161	3630	390.17	1	8.090283333333334	22200200.0
868	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2250	3737	390.17	1	8.2713	4272960.0
868	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2601	4158	390.17	1	8.978166666666668	529781000.0
868	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2689	4264	390.17	1	9.15635	8789550.0
868	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2789	4384	390.17	1	9.359433333333333	1138790.0
871	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	755	1921	391.296	1	5.1677	928502.0
871	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	838	2031	391.297	1	5.3664	530048.0
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872	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	911	2123	392.149	1	5.528783333333333	1365870.0
872	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	993	2223	392.149	1	5.702	2238490.0
872	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1153	2417	392.149	1	6.0348500000000005	9604680.0
872	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2021	3462	392.149	1	7.8091333333333335	3962520.0
872	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2160	3629	392.149	1	8.0886	18730300.0
876	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1150	2413	393.153	1	6.028333333333333	5234320.0
876	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1443	2765	393.153	1	6.625816666666666	15043000.0
879	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1147	2410	394.165	1	6.0232833333333335	1653620.0
879	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1383	2693	394.165	1	6.502283333333334	7350490.0
879	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1590	2942	394.165	1	6.9251	1106610.0
879	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1674	3044	394.165	1	7.097783333333334	77102200.0
879	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1864	3274	394.164	1	7.4900166666666665	1246610.0
879	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2501	4038	394.165	1	8.777050000000001	4781460.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3083	4771	394.353	1	10.017183333333332	368088.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3159	4874	394.353	1	10.1901	610406.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3231	4972	394.352	1	10.35835	1732710.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3303	5071	394.353	1	10.52805	3702250.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3383	5173	394.353	1	10.699166666666667	4236290.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3460	5278	394.353	1	10.87645	2272000.0
882	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3523	5376	394.353	1	11.0457	736154.0
893	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	834	2026	796.517	2	5.35865	461734.0
893	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1025	2262	796.517	2	5.768316666666666	528038.0
898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3257	5011	399.31	1	10.428766666666666	1439910.0
898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3337	5113	399.31	1	10.599483333333334	3564320.0
899	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4467	6791	399.347	1	13.534533333333334	332759.0
899	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4519	6879	399.347	1	13.703883333333332	1394690.0
899	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4575	6969	399.347	1	13.87395	502938.0
902	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1936	3360	400.269	1	7.635783333333333	109133000.0
902	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2488	4022	799.53	2	8.750283333333334	1489950.0
909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1560	2906	402.285	1	6.8639	16135000.0
909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2146	3612	402.285	1	8.06015	3868880.0
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913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1665	3033	404.149	1	7.0784	1328580.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1756	3143	404.15	1	7.269900000000001	1784660.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1841	3246	404.149	1	7.44405	4820880.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2055	3503	404.149	1	7.876633333333333	9660110.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2181	3654	404.149	1	8.131283333333334	19346000.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2328	3830	404.149	1	8.425716666666666	2499490.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2416	3936	404.149	1	8.606050000000002	10031900.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2527	4069	404.149	1	8.8279	5013170.0
913	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2846	4454	404.149	1	9.47495	8050910.0
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918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	650	1781	812.49	2	4.913283333333334	792388.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	720	1876	812.488	2	5.0859499999999995	1234090.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	795	1973	812.489	2	5.262216666666666	2375470.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	867	2071	812.489	2	5.436866666666666	2850690.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	948	2169	812.488	2	5.6086833333333335	4336470.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1035	2274	812.489	2	5.788983333333333	4752850.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1116	2373	812.489	2	5.9591666666666665	5202380.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1201	2475	812.489	2	6.12995	5652900.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1286	2577	812.489	2	6.30435	4026640.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1371	2679	812.489	2	6.478866666666667	5180010.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1457	2783	812.49	2	6.6566833333333335	3376460.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1578	2928	812.489	2	6.901133333333333	2966930.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1664	3032	812.489	2	7.076716666666667	3991890.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1749	3135	812.489	2	7.25465	4926170.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1845	3251	812.488	2	7.452299999999999	4246200.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2232	3715	812.488	2	8.2332	13565500.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2319	3820	812.489	2	8.408949999999999	6368310.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2423	3944	812.489	2	8.618883333333335	7096420.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2511	4050	812.489	2	8.796433333333333	4188250.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2627	4189	812.489	2	9.030716666666667	4528830.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2716	4296	812.489	2	9.211983333333334	3820540.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2804	4402	812.489	2	9.389966666666668	2554290.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2895	4515	812.489	2	9.57775	1903880.0
918	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2986	4637	812.488	2	9.7875	1408300.0
920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2970	4616	814.489	2	9.751016666666667	2071000.0
920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3063	4741	814.489	2	9.964016666666668	1510240.0
920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3139	4847	814.488	2	10.144883333333333	1074460.0
920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3228	4967	814.49	2	10.34915	1123490.0
920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3302	5069	814.489	2	10.524916666666666	541943.0
922	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3652	5563	408.368	1	11.3733	456098.0
922	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3718	5672	408.368	1	11.566866666666666	374777.0
924	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1798	3194	409.185	1	7.356766666666667	3291030.0
924	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2120	3581	409.172	1	8.009383333333334	17388900.0
925	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1028	2265	409.256	1	5.773433333333333	1741320.0
925	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1438	2759	409.256	1	6.615616666666667	3264100.0
929	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1148	2411	410.16	1	6.024966666666667	1877330.0
929	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1324	2622	410.16	1	6.382483333333334	1382930.0
932	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	864	2067	411.035	1	5.42985	2165520.0
932	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1008	2241	411.035	1	5.7324	1512390.0
940	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1742	3126	414.192	1	7.2389833333333335	3455640.0
940	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1844	3250	414.191	1	7.450633333333333	2110440.0
944	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1891	3306	415.212	1	7.543816666666667	1246820.0
944	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1998	3434	415.212	1	7.760383333333333	1082120.0
944	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2084	3538	415.211	1	7.936966666666667	4572900.0
944	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2169	3640	415.212	1	8.10845	1354260.0
944	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2251	3738	415.203	1	8.272983333333334	4652150.0
944	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2306	3804	415.212	1	8.382766666666667	811333.0
947	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	116	485	416.228	1	1.478445	1933030.0
947	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	215	974	416.228	1	3.0123333333333333	320647.0
947	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	257	1073	416.228	1	3.2797666666666667	542231.0
948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2137	3601	416.264	1	8.04235	3120920.0
948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2331	3834	416.264	1	8.43365	13050600.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	775	1946	836.489	2	5.213916666666666	1232420.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	845	2042	836.487	2	5.3864	1296040.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	924	2140	836.489	2	5.55905	1662500.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1011	2245	836.489	2	5.7392666666666665	2238730.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1097	2350	836.489	2	5.9206666666666665	2484010.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1720	3099	836.49	2	7.191866666666667	2055510.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1908	3326	836.488	2	7.57765	2590840.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2023	3464	836.489	2	7.812483333333334	3103620.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2110	3569	836.491	2	7.98815	1966180.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2199	3676	836.489	2	8.168083333333334	4520060.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2293	3788	836.489	2	8.356283333333334	3758240.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2482	4015	836.488	2	8.738516666666667	4151620.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2571	4122	836.488	2	8.9181	3466740.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2661	4230	836.488	2	9.100383333333333	1748670.0
955	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2746	4333	836.488	2	9.272766666666666	1859610.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2822	4424	420.18	1	9.42745	39246100.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2909	4532	420.18	1	9.607033333333334	44233600.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2981	4631	420.18	1	9.777383333333335	11512400.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3069	4749	420.18	1	9.977033333333333	5942590.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3140	4849	420.18	1	10.148	3938640.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3214	4950	420.18	1	10.319899999999999	3734110.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3286	5049	420.18	1	10.49095	2881640.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3368	5153	420.18	1	10.665383333333333	2502100.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3443	5256	420.18	1	10.840516666666668	1842160.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3512	5356	420.18	1	11.009433333333334	985157.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3573	5452	420.18	1	11.180716666666665	895346.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3642	5551	420.18	1	11.353900000000001	1451610.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3703	5647	420.18	1	11.522283333333332	1070640.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3763	5742	420.18	1	11.692216666666667	580836.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3827	5840	420.18	1	11.864650000000001	1040440.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3894	5938	420.179	1	12.037966666666668	487090.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3962	6039	420.18	1	12.20775	758814.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4034	6143	420.18	1	12.384516666666666	823362.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4099	6243	420.18	1	12.5585	544769.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4169	6341	420.18	1	12.728216666666667	568452.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4235	6441	420.181	1	12.902416666666666	431032.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4307	6540	420.18	1	13.073766666666668	346592.0
959	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4367	6634	420.18	1	13.244516666666668	321061.0
962	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1186	2457	840.52	2	6.100466666666667	3233910.0
962	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1271	2559	840.52	2	6.2736	4379850.0
962	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1356	2661	840.52	2	6.448416666666666	4719420.0
962	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1441	2763	840.52	2	6.62245	3063310.0
962	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1633	2994	840.521	2	7.012583333333334	2203910.0
962	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1894	3310	840.519	2	7.550466666666667	2601310.0
963	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	367	1301	421.282	1	3.85875	290507.0
963	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	413	1384	421.281	1	4.0392	388878.0
965	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1489	2821	422.16	1	6.721	13626100.0
965	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1595	2948	422.16	1	6.935983333333334	4204380.0
965	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1721	3100	422.16	1	7.19355	6309020.0
965	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1950	3377	422.16	1	7.66435	6331800.0
968	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2351	3858	423.194	1	8.473533333333332	10952800.0
968	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2838	4444	423.189	1	9.45905	30217700.0
973	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1170	2437	424.175	1	6.068033333333333	1116200.0
973	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1448	2771	424.176	1	6.63605	15773600.0
973	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2254	3742	424.176	1	8.27965	5838470.0
976	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2170	3641	424.214	1	8.110133333333334	1369520.0
976	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2302	3799	424.212	1	8.374500000000001	982003.0
976	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2477	4009	424.212	1	8.7286	802651.0
978	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3152	4864	424.363	1	10.17225	1063920.0
978	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3235	4977	424.364	1	10.3666	813623.0
980	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1214	2490	425.29	1	6.155150000000001	5802400.0
980	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2692	4267	425.289	1	9.161399999999999	10857300.0
985	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1125	2383	428.058	1	5.976066666666667	792433.0
985	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1250	2533	428.058	1	6.2294	836254.0
985	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1515	2852	428.058	1	6.7732833333333335	1894460.0
985	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1852	3259	428.058	1	7.4653	4055180.0
988	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1917	3337	428.147	1	7.5978166666666676	2283640.0
988	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2111	3570	428.147	1	7.989833333333333	12658900.0
993	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1339	2640	429.191	1	6.412866666666667	2627100.0
993	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1427	2746	429.191	1	6.59355	2668100.0
993	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1619	2977	429.191	1	6.984283333333334	910536.0
993	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1705	3081	429.192	1	7.160833333333333	644532.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	120	492	430.245	1	1.4938516666666668	423257.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	232	1013	430.244	1	3.1170166666666663	328996.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	260	1078	430.244	1	3.290966666666667	661616.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	284	1141	430.244	1	3.465116666666667	291867.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	323	1212	430.244	1	3.6379499999999996	1926860.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	346	1273	430.244	1	3.806766666666667	20332200.0
995	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	393	1353	430.244	1	3.97955	683795.0
998	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	843	2038	862.503	2	5.3789	526367.0
998	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	994	2224	862.503	2	5.7036999999999995	794887.0
998	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2270	3761	862.504	2	8.311333333333334	1096810.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	982	2209	864.518	2	5.6764	1432200.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1122	2380	864.519	2	5.971016666666667	1687880.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1212	2488	864.518	2	6.1518	1880410.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1325	2623	864.52	2	6.384166666666667	1725000.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2205	3683	864.519	2	8.181383333333333	1450290.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2443	3968	864.518	2	8.659033333333333	1639960.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2590	4145	864.519	2	8.957483333333332	968134.0
1001	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2733	4316	864.517	2	9.245000000000001	1026910.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1079	2328	866.536	2	5.883566666666667	2045750.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1297	2590	866.535	2	6.326516666666667	2053010.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1412	2728	866.535	2	6.56295	1912960.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1508	2844	866.535	2	6.759783333333333	1543440.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1733	3114	866.536	2	7.217883333333333	1234050.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2918	4543	866.523	2	9.62535	521456.0
1004	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3021	4684	866.523	2	9.868150000000002	624410.0
1008	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4342	6595	434.436	1	13.172699999999999	314420.0
1008	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4403	6689	434.436	1	13.342916666666667	2330820.0
1008	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4464	6785	434.436	1	13.522716666666668	712649.0
1008	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4613	7027	434.436	1	13.979333333333333	346719.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1691	3064	436.175	1	7.131666666666666	3193740.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1877	3289	436.175	1	7.51665	1773260.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1964	3394	436.174	1	7.692983333333333	3970590.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2051	3498	436.175	1	7.8684666666666665	15418300.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2140	3605	436.175	1	8.048533333333333	12983400.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2229	3712	436.175	1	8.2281	58061200.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2326	3828	436.176	1	8.42235	4420140.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2418	3938	436.176	1	8.60945	2923580.0
1012	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2518	4058	436.176	1	8.809733333333332	562000.0
1013	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1437	2758	436.175	1	6.613933333333334	919218.0
1013	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1774	3166	436.175	1	7.308400000000001	5054170.0
1021	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1859	3268	438.191	1	7.480066666666667	5190280.0
1021	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2656	4224	438.191	1	9.088633333333332	883173.0
1022	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3209	4942	438.378	1	10.307166666666665	364021.0
1022	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3283	5045	438.379	1	10.484116666666667	874414.0
1022	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3364	5148	438.379	1	10.656733333333333	944817.0
1022	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3458	5275	438.379	1	10.871683333333333	1909410.0
1022	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3524	5377	438.378	1	11.047383333333332	321553.0
1025	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2222	3703	440.17	1	8.213783333333334	16504400.0
1025	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2327	3829	440.17	1	8.424033333333334	2821470.0
1026	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	998	2229	440.171	1	5.712116666666666	9158640.0
1026	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1106	2361	440.17	1	5.93905	2069100.0
1026	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1518	2856	440.17	1	6.7797	467550.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	944	2164	888.52	2	5.600333333333333	621502.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1030	2268	888.519	2	5.778683333333333	1025540.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1111	2367	888.52	2	5.9491000000000005	1419340.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1197	2470	888.519	2	6.122066666666667	1232220.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1299	2592	888.52	2	6.329899999999999	1849990.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1414	2730	888.521	2	6.5663	1380720.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2202	3679	888.518	2	8.173166666666667	1047550.0
1043	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2318	3818	888.52	2	8.405800000000001	712595.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3404	5204	445.12	1	10.752816666666666	487398.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4681	7182	445.12	1	14.347516666666667	320081.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4691	7237	445.12	1	14.522333333333334	355260.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4700	7291	445.121	1	14.69515	387619.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4708	7344	445.121	1	14.866316666666668	385956.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4715	7396	445.121	1	15.0366	405214.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4725	7450	445.12	1	15.207183333333335	424099.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4737	7505	445.121	1	15.378083333333333	408455.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4753	7563	445.12	1	15.550933333333335	641248.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4769	7620	445.12	1	15.720233333333335	629949.0
1046	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4783	7676	445.12	1	15.889083333333334	667614.0
1055	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1246	2529	448.233	1	6.2226333333333335	486214.0
1055	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1338	2639	448.234	1	6.411183333333333	1054920.0
1055	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1765	3154	448.234	1	7.2886	1695760.0
1055	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1953	3380	448.233	1	7.669449999999999	1731790.0
1068	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1918	3338	451.222	1	7.599500000000001	1421810.0
1068	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2107	3565	451.222	1	7.98175	3384730.0
1069	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1755	3142	452.172	1	7.2682166666666665	1663830.0
1069	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1981	3414	452.171	1	7.726566666666667	1817730.0
1070	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2456	3984	452.171	1	8.687366666666666	2960030.0
1070	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2552	4099	452.171	1	8.879466666666668	2608020.0
1071	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2371	3882	452.206	1	8.5152	14265900.0
1071	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2506	4044	452.206	1	8.786516666666667	4334380.0
1074	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3635	5542	452.395	1	11.339283333333332	947075.0
1074	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3700	5642	452.394	1	11.514266666666666	377330.0
1083	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	899	2109	454.165	1	5.50305	1605750.0
1083	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	983	2211	454.165	1	5.681516666666667	3190020.0
1083	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1930	3353	454.164	1	7.624733333333333	2030560.0
1084	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1707	3083	454.187	1	7.1642166666666665	2772300.0
1084	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1958	3386	454.188	1	7.6796	1368190.0
1085	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1990	3425	454.295	1	7.7452499999999995	2672480.0
1085	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2080	3533	454.293	1	7.928733333333333	3867590.0
1111	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	108	474	460.255	1	1.4570666666666667	537767.0
1111	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	225	1004	460.255	1	3.0991500000000003	323549.0
1111	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	265	1090	460.255	1	3.322566666666667	487719.0
1111	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	296	1167	460.255	1	3.5316666666666667	459022.0
1111	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	336	1243	460.255	1	3.721616666666667	391075.0
1138	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2099	3556	468.308	1	7.966816666666667	4302730.0
1138	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2184	3658	468.309	1	8.137866666666666	3957750.0
1139	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2304	3802	468.308	1	8.379383333333333	5165750.0
1139	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2389	3904	468.309	1	8.551483333333334	3419610.0
1139	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2474	4006	468.309	1	8.723416666666667	973674.0
1146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1731	3112	469.198	1	7.214466666666667	1403820.0
1146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2000	3437	469.198	1	7.767066666666667	970097.0
1153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	656	1789	471.286	1	4.930133333333333	440857.0
1153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	874	2079	471.286	1	5.4508	12963600.0
1153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	987	2215	471.285	1	5.688266666666666	793853.0
1153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1198	2471	471.285	1	6.123283333333333	67433600.0
1153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1281	2571	471.285	1	6.294116666666667	1037070.0
1158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2263	3752	472.175	1	8.2965	1479400.0
1158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2581	4134	472.176	1	8.939566666666668	6921810.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	717	1871	478.329	1	5.076516666666667	308999.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	801	1980	478.331	1	5.274500000000001	827298.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	872	2077	478.329	1	5.44745	764320.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	953	2175	478.33	1	5.618616666666667	1096140.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1073	2321	478.33	1	5.871783333333334	1214140.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1168	2435	478.329	1	6.064516666666666	1114430.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1259	2544	478.33	1	6.24805	1189030.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1347	2650	478.33	1	6.42985	866271.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1431	2751	478.329	1	6.602083333333334	835785.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1583	2934	478.329	1	6.911416666666667	714033.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1685	3057	478.329	1	7.119866666666667	765128.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1797	3193	478.329	1	7.355083333333334	933860.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1888	3302	478.329	1	7.537266666666667	988837.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1974	3406	478.329	1	7.713066666666666	1938000.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2059	3508	478.329	1	7.884883333333334	1101210.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2144	3610	478.329	1	8.056766666666666	1853760.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2233	3716	478.329	1	8.2349	1599070.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2320	3821	478.329	1	8.41065	2586470.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2413	3932	478.33	1	8.599866666666665	1433290.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2499	4036	478.329	1	8.773616666666667	1609550.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2584	4138	478.329	1	8.946233333333334	2057060.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2669	4240	478.329	1	9.116933333333332	2065820.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2755	4344	478.329	1	9.291266666666667	2600400.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2902	4523	478.329	1	9.591383333333333	1810930.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2975	4623	478.329	1	9.764133333333332	1273460.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3050	4724	478.329	1	9.9358	1120470.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3123	4826	478.329	1	10.110366666666666	898894.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3200	4930	478.329	1	10.287683333333332	583160.0
1181	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3288	5051	478.33	1	10.494316666666666	562830.0
1191	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2286	3780	482.324	1	8.342816666666668	3406510.0
1191	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2374	3886	482.324	1	8.521216666666668	114552000.0
1191	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2460	3989	482.324	1	8.69575	5077830.0
1191	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2550	4097	482.324	1	8.876116666666666	10508600.0
1191	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2640	4205	482.324	1	9.057016666666668	4013780.0
1191	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2724	4306	482.324	1	9.228466666666666	953131.0
1192	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1961	3390	482.324	1	7.686266666666667	3460730.0
1192	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2049	3496	482.324	1	7.865033333333333	11377000.0
1193	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3378	5166	482.405	1	10.687933333333332	1698060.0
1193	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3451	5267	482.406	1	10.858550000000001	535008.0
1193	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3519	5368	482.405	1	11.031	346231.0
1193	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3583	5466	482.407	1	11.20585	237269.0
1193	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3690	5626	482.405	1	11.486816666666666	337042.0
1193	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3767	5748	482.403	1	11.703149999999999	294400.0
1206	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1526	2865	487.095	1	6.7946333333333335	2823840.0
1206	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1858	3266	487.095	1	7.476966666666667	2121140.0
1213	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3883	5923	489.311	1	12.0102	468027.0
1213	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4316	6552	489.313	1	13.09555	1176240.0
1215	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1471	2799	490.222	1	6.685633333333333	405472.0
1215	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1596	2949	490.222	1	6.937683333333334	1739340.0
1215	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2088	3542	490.222	1	7.943783333333333	901228.0
1222	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2357	3865	493.27	1	8.485183333333334	2431230.0
1222	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2827	4430	493.269	1	9.4373	1274680.0
1222	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2936	4568	493.258	1	9.669183333333333	369413.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2196	3672	496.34	1	8.161516666666666	4094820.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2284	3778	496.34	1	8.339416666666667	169755000.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2457	3985	496.34	1	8.689083333333334	1462470.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2544	4090	496.34	1	8.864483333333334	4928390.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2629	4192	496.34	1	9.035083333333334	105133000.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2714	4294	496.34	1	9.208466666666668	20347200.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2801	4399	496.34	1	9.384616666666666	2717720.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2893	4512	496.34	1	9.572966666666668	1278520.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2969	4615	496.34	1	9.749333333333334	669588.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3045	4717	496.34	1	9.924166666666668	329911.0
1227	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3117	4818	496.34	1	10.097066666666667	287368.0
1228	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3591	5480	496.422	1	11.2318	398285.0
1228	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3659	5578	496.421	1	11.403366666666667	652888.0
1228	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3723	5679	496.421	1	11.57845	208464.0
1231	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4360	6621	499.334	1	13.219933333333334	2634210.0
1231	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4423	6718	499.334	1	13.393466666666665	548039.0
1232	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1419	2736	500.207	1	6.576533333333333	1394890.0
1232	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1514	2851	500.207	1	6.7716	2291650.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3924	5984	500.483	1	12.11515	350711.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3990	6084	500.483	1	12.285666666666666	2386340.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4057	6182	500.483	1	12.455066666666665	1114480.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4129	6285	500.483	1	12.6319	351246.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4200	6390	500.484	1	12.8156	293363.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4275	6494	500.483	1	12.994266666666666	1353060.0
1234	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4339	6591	500.483	1	13.165916666666668	1400110.0
1235	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1528	2868	501.111	1	6.7994	3253270.0
1235	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1850	3257	501.11	1	7.461916666666666	1823340.0
1242	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1621	2979	502.222	1	6.987733333333334	708141.0
1242	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1706	3082	502.223	1	7.162533333333333	2590060.0
1242	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2057	3505	502.223	1	7.8800333333333334	1946190.0
1249	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2040	3485	504.307	1	7.847366666666667	865132.0
1249	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2376	3888	504.306	1	8.524666666666667	4746500.0
1252	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1587	2939	506.218	1	6.919933333333334	2249980.0
1252	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1748	3134	506.218	1	7.252983333333333	3280900.0
1252	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1932	3355	506.217	1	7.628150000000001	1594170.0
1252	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2152	3619	506.218	1	8.071966666666667	5587640.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	984	2212	506.361	1	5.683216666666667	351470.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1112	2368	506.36	1	5.9508	507165.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1209	2484	506.36	1	6.14515	710814.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1300	2593	506.36	1	6.331616666666666	813211.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1415	2731	506.362	1	6.568016666666667	891409.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1511	2847	506.361	1	6.7649	481137.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2338	3842	506.36	1	8.446983333333334	829782.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2442	3967	506.36	1	8.657350000000001	942663.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2560	4109	506.361	1	8.896083333333333	727278.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2663	4232	506.36	1	9.103816666666667	754635.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2754	4342	506.36	1	9.288116666666667	803511.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2878	4494	506.362	1	9.542483333333333	484961.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2954	4595	506.361	1	9.716066666666668	558014.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3030	4697	506.361	1	9.8894	669685.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3109	4806	506.361	1	10.074916666666667	474296.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3227	4966	506.36	1	10.347466666666666	464294.0
1254	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3301	5068	506.36	1	10.523233333333334	362578.0
1260	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2173	3644	508.34	1	8.114666666666666	3068900.0
1260	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2260	3749	508.34	1	8.2914	3245260.0
1263	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1313	2609	510.213	1	6.360416666666667	2478810.0
1263	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1464	2791	510.213	1	6.670466666666667	1248720.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2431	3954	510.356	1	8.635383333333333	14693700.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2519	4060	510.355	1	8.8124	191519000.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2604	4162	510.355	1	8.9838	28730900.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2735	4320	510.356	1	9.251333333333333	3397310.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2820	4422	510.355	1	9.424216666666666	10535800.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2904	4526	510.356	1	9.597516666666667	41816800.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2977	4626	510.355	1	9.76915	3604510.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3052	4727	510.355	1	9.940683333333334	1688300.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3138	4846	510.355	1	10.1432	654620.0
1265	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3222	4960	510.357	1	10.336500000000001	324424.0
1270	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3086	4776	512.418	1	10.025183333333333	1052000.0
1270	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3177	4901	512.416	1	10.23805	796805.0
1271	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4430	6734	513.35	1	13.4274	1225890.0
1271	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4499	6848	513.351	1	13.64615	539249.0
1275	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4597	7001	514.499	1	13.931716666666667	548892.0
1275	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4655	7095	514.499	1	14.102766666666668	541276.0
1278	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3816	5825	515.329	1	11.837016666666667	403377.0
1278	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4043	6158	515.329	1	12.41105	1919800.0
1288	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4600	7007	517.394	1	13.9445	539418.0
1288	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4658	7101	517.394	1	14.115466666666666	848888.0
1291	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1323	2621	518.218	1	6.3808	1508250.0
1291	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1408	2723	518.218	1	6.5545	1453060.0
1292	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2587	4141	518.321	1	8.9514	703016.0
1292	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2675	4247	518.322	1	9.128116666666667	1798520.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3860	5892	518.492	1	11.9573	1757210.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3929	5992	518.493	1	12.12815	3297640.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3997	6093	518.493	1	12.3003	12827300.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4066	6195	518.493	1	12.476316666666666	5708620.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4135	6295	518.493	1	12.64945	3074700.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4201	6392	518.493	1	12.818900000000001	1754940.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4274	6493	518.493	1	12.992566666666667	3897630.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4338	6590	518.493	1	13.164216666666666	4129130.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4400	6684	518.493	1	13.334383333333333	1520180.0
1295	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4459	6779	518.494	1	13.51235	991675.0
1298	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4756	7573	519.139	1	15.579233333333333	337698.0
1298	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4775	7644	519.139	1	15.793116666666666	316463.0
1300	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1167	2434	520.197	1	6.0628166666666665	12512800.0
1300	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1257	2542	520.197	1	6.2447	3445410.0
1300	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1509	2845	520.197	1	6.7614833333333335	1897850.0
1300	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1601	2955	520.196	1	6.947616666666667	1051060.0
1304	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4569	6960	520.509	1	13.858083333333333	2392990.0
1304	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4629	7053	520.509	1	14.028116666666667	13884300.0
1305	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	363	1295	521.206	1	3.8463166666666666	684304.0
1305	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	407	1376	521.206	1	4.023316666666667	1285840.0
1307	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1342	2644	522.212	1	6.419716666666667	798335.0
1307	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1726	3106	522.213	1	7.2039833333333325	841488.0
1307	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1809	3208	522.212	1	7.379616666666666	7216430.0
1312	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	577	1669	522.343	1	4.687116666666666	275355.0
1312	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	684	1826	522.343	1	4.998483333333334	843469.0
1313	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2358	3866	522.355	1	8.486883333333333	1691170.0
1313	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2444	3970	522.356	1	8.662266666666666	1654890.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2681	4254	524.371	1	9.139783333333332	4425330.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2721	4302	524.371	1	9.221933333333334	9180790.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2805	4404	524.371	1	9.392716666666667	53209100.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2974	4622	524.372	1	9.762433333333332	1519510.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3051	4725	524.373	1	9.9375	812052.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3124	4827	524.372	1	10.112066666666667	440550.0
1319	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3199	4929	524.371	1	10.285983333333332	1712640.0
1322	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2891	4510	526.35	1	9.569566666666667	25690400.0
1322	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2967	4612	526.35	1	9.74445	2347000.0
1323	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3342	5119	526.431	1	10.609533333333333	751193.0
1323	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3415	5220	526.432	1	10.780566666666665	633688.0
1323	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3489	5322	526.432	1	10.953016666666667	347183.0
1323	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3577	5457	526.431	1	11.1902	342795.0
1327	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4547	6928	528.375	1	13.799233333333332	548244.0
1327	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4609	7021	528.375	1	13.968883333333334	4528870.0
1327	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4666	7114	528.375	1	14.137966666666667	923566.0
1330	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1284	2574	529.338	1	6.2992	581668.0
1330	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1374	2682	529.338	1	6.4836833333333335	1134290.0
1330	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1495	2828	529.338	1	6.732733333333333	1163580.0
1337	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1752	3138	532.235	1	7.259683333333333	1447600.0
1337	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1839	3244	532.233	1	7.440666666666667	84478300.0
1337	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2197	3673	532.233	1	8.163216666666667	3242050.0
1339	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2491	4026	532.337	1	8.756866666666667	4043410.0
1339	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2580	4133	532.338	1	8.937883333333334	1528970.0
1342	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4380	6653	532.509	1	13.28135	359044.0
1342	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4436	6746	532.509	1	13.450783333333334	509185.0
1342	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4606	7017	532.509	1	13.961916666666667	2435860.0
1342	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4664	7111	532.509	1	14.132783333333332	1688360.0
1348	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1114	2370	534.213	1	5.95415	899664.0
1348	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1312	2608	534.213	1	6.358716666666667	947607.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	109	476	536.166	1	1.4611533333333333	316548.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	245	1046	536.167	1	3.207466666666667	353559.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	275	1112	536.166	1	3.3812333333333333	346453.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	308	1184	536.167	1	3.5675499999999998	358004.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	342	1255	536.167	1	3.751	368682.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	430	1411	536.166	1	4.091516666666667	461072.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	459	1477	536.166	1	4.265233333333333	316874.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	522	1580	536.166	1	4.492266666666667	339668.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	645	1773	536.166	1	4.896366666666666	394558.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	711	1864	536.166	1	5.064066666666666	378031.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	786	1960	536.165	1	5.238033333333333	521927.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1026	2263	536.163	1	5.770016666666667	706981.0
1357	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4605	7015	536.165	1	13.958499999999999	648593.0
1361	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1634	2995	536.228	1	7.014283333333334	2661270.0
1361	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1821	3222	536.227	1	7.403116666666667	16305400.0
1361	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1934	3358	536.228	1	7.633066666666666	3612400.0
1361	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2019	3460	536.228	1	7.8058000000000005	1098450.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	856	2057	538.207	1	5.41125	2740760.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	990	2219	538.207	1	5.695116666666666	942715.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1071	2319	538.207	1	5.868433333333333	1110230.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1176	2445	538.207	1	6.081166666666666	11322500.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1261	2547	538.208	1	6.253183333333333	1421630.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1403	2717	538.208	1	6.544366666666666	11675900.0
1369	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1675	3045	538.206	1	7.099483333333334	2412750.0
1370	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2636	4200	538.35	1	9.04875	2935800.0
1370	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3018	4680	538.348	1	9.86145	572812.0
1371	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3077	4759	538.388	1	9.993533333333334	2967120.0
1371	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3151	4863	538.387	1	10.170566666666668	967226.0
1374	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	573	1664	540.355	1	4.67905	630229.0
1374	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	662	1798	540.354	1	4.948383333333334	358056.0
1374	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	840	2034	540.353	1	5.3724	585246.0
1374	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	942	2161	540.353	1	5.5953333333333335	1059990.0
1376	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2291	3786	540.426	1	8.352883333333333	18010300.0
1376	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2398	3914	540.425	1	8.568166666666666	1031320.0
1381	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	648	1777	544.349	1	4.9041	363328.0
1381	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	787	1961	544.348	1	5.239733333333334	398432.0
1381	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	902	2113	544.349	1	5.511716666666667	421927.0
1386	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2126	3588	546.249	1	8.020983333333334	15056500.0
1386	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2262	3751	546.249	1	8.294816666666668	1975050.0
1387	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2711	4290	546.353	1	9.201799999999999	1058910.0
1387	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2798	4395	546.354	1	9.377983333333333	2467660.0
1392	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1459	2785	548.23	1	6.66005	985050.0
1392	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1795	3191	548.228	1	7.3517166666666665	1109570.0
1393	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1642	3005	548.229	1	7.0312166666666664	965636.0
1393	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2091	3546	548.228	1	7.95035	2854660.0
1394	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1290	2581	548.229	1	6.311166666666667	1377900.0
1394	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2212	3691	548.228	1	8.194333333333335	8655290.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1140	2401	552.223	1	6.006566666666667	1199150.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1226	2505	552.223	1	6.182133333333334	1792540.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1311	2607	552.223	1	6.3570166666666665	19656100.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1396	2709	552.223	1	6.53075	5163980.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1483	2814	552.223	1	6.709716666666667	2345480.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1572	2921	552.223	1	6.889216666666667	14539200.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1676	3046	552.223	1	7.101183333333334	1700090.0
1407	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1982	3415	552.223	1	7.728266666666667	850042.0
1412	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2868	4482	552.365	1	9.522666666666668	1054750.0
1412	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2946	4582	552.366	1	9.693833333333334	2473390.0
1412	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3020	4683	552.366	1	9.866466666666668	318915.0
1417	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1659	3026	554.239	1	7.0667	4375760.0
1417	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1778	3170	554.239	1	7.315383333333333	2707940.0
1424	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3066	4745	556.442	1	9.9706	801280.0
1424	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3155	4868	556.442	1	10.18035	687560.0
1430	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	558	1645	558.363	1	4.645300000000001	2136210.0
1430	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	626	1740	558.365	1	4.822766666666666	1214810.0
1430	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	683	1825	558.364	1	4.996783333333334	19418600.0
1430	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	759	1926	558.365	1	5.178416666666666	346557.0
1430	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	829	2020	558.363	1	5.34875	17399800.0
1430	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	940	2159	558.364	1	5.5919	2912240.0
1439	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3622	5525	563.551	1	11.311633333333333	19472100.0
1439	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3689	5625	563.551	1	11.485116666666666	10221600.0
1440	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2702	4279	564.202	1	9.183116666666667	5474960.0
1440	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2794	4390	564.202	1	9.3694	2153500.0
1440	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2907	4529	564.202	1	9.6027	3134900.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1454	2779	566.24	1	6.6498333333333335	6008760.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1542	2885	566.24	1	6.8269166666666665	8646460.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1627	2987	566.239	1	7.000933333333333	6575580.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1799	3196	566.239	1	7.359716666666667	66786300.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1939	3364	566.239	1	7.642383333333333	3008810.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2024	3466	566.24	1	7.815766666666667	954795.0
1448	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2158	3626	566.239	1	8.083633333333333	853846.0
1453	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	876	2081	568.218	1	5.454233333333334	1714720.0
1453	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1036	2275	568.218	1	5.790683333333333	1035000.0
1453	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1121	2379	568.218	1	5.969333333333334	1375380.0
1453	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1206	2481	568.218	1	6.14	3167970.0
1453	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1295	2587	568.218	1	6.321466666666667	1310330.0
1453	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1381	2691	568.218	1	6.498900000000001	4803350.0
1454	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2651	4218	568.457	1	9.078666666666667	10387100.0
1454	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2765	4356	568.457	1	9.3107	400556.0
1462	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3312	5081	570.459	1	10.544816666666666	460411.0
1462	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3388	5182	570.458	1	10.7158	533854.0
1462	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3468	5289	570.461	1	10.895716666666667	350547.0
1467	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4558	6945	573.373	1	13.83045	361804.0
1467	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4622	7042	573.373	1	14.0081	1465980.0
1477	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	356	1286	576.375	1	3.8301833333333333	331572.0
1477	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	556	1642	576.374	1	4.6404	1754750.0
1484	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1867	3277	580.255	1	7.4951	1778670.0
1484	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2211	3690	580.254	1	8.192633333333333	73469700.0
1487	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1298	2591	582.234	1	6.328216666666666	927784.0
1487	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1382	2692	582.234	1	6.5006	1712280.0
1487	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1467	2795	582.234	1	6.6789	1565980.0
1487	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1557	2903	582.233	1	6.85885	1538810.0
1487	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1717	3095	582.234	1	7.1848833333333335	1299090.0
1506	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3560	5434	584.471	1	11.149633333333332	968984.0
1506	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3660	5579	584.473	1	11.405066666666666	718228.0
1511	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1499	2833	588.221	1	6.741233333333333	1013890.0
1511	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1604	2959	588.22	1	6.9542	1965820.0
1511	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1811	3210	588.22	1	7.38305	5284260.0
1525	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2200	3677	595.257	1	8.169816666666668	445086.0
1525	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2290	3785	595.257	1	8.351183333333333	4172920.0
1525	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2533	4076	595.257	1	8.839666666666666	556885.0
1525	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2619	4180	595.256	1	9.01555	2303750.0
1531	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1503	2838	596.25	1	6.749733333333333	867869.0
1531	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1827	3229	596.249	1	7.414683333333333	6003720.0
1535	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1304	2598	597.281	1	6.340050000000001	781766.0
1535	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1527	2867	597.28	1	6.797700000000001	2957290.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1892	3307	600.105	1	7.545533333333334	721653.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2094	3550	600.104	1	7.956916666666667	684903.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2275	3767	600.105	1	8.32165	1079380.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2365	3875	600.105	1	8.50195	963529.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2454	3982	600.104	1	8.683950000000001	983478.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2542	4087	600.105	1	8.859616666666666	1012070.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2635	4199	600.105	1	9.04705	1190070.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2723	4304	600.104	1	9.225316666666666	1490040.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2810	4410	600.104	1	9.402766666666668	1478760.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3158	4873	600.104	1	10.188416666666665	1470460.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3232	4973	600.104	1	10.360066666666667	1262170.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3309	5078	600.104	1	10.539633333333335	1294190.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3386	5179	600.104	1	10.710933333333333	1163400.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3463	5282	600.103	1	10.882983333333334	951414.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3527	5382	600.103	1	11.056566666666667	812112.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3588	5476	600.102	1	11.2251	679519.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3665	5585	600.104	1	11.414633333333335	328752.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3729	5687	600.103	1	11.593250000000001	443267.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3812	5820	600.102	1	11.8287	391614.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3881	5921	600.103	1	12.006766666666666	425513.0
1537	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4123	6277	600.103	1	12.61865	419338.0
1559	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2486	4020	609.273	1	8.74695	1920480.0
1559	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2574	4126	609.272	1	8.926233333333332	1246940.0
1566	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3289	5052	614.484	1	10.496033333333333	669554.0
1566	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3374	5160	614.484	1	10.678816666666668	414984.0
1573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2465	3995	618.116	1	8.705666666666668	610764.0
1573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2705	4283	618.113	1	9.18985	482715.0
1573	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2816	4417	618.115	1	9.414416666666666	389933.0
1575	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2308	3806	618.115	1	8.386149999999999	517726.0
1575	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2913	4536	618.115	1	9.613933333333334	361489.0
1586	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2729	4312	623.289	1	9.238283333333333	468977.0
1586	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2815	4416	623.287	1	9.4127	566270.0
1592	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	661	1797	629.25	1	4.946666666666667	461716.0
1592	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	757	1923	629.25	1	5.171116666666666	767207.0
1593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4271	6489	1891.49	3	12.985866666666668	709718.0
1593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4399	6682	1891.49	3	13.330966666666665	935122.0
1593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4457	6776	1891.49	3	13.505566666666665	1094020.0
1593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4508	6864	1891.49	3	13.67745	911091.0
1593	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4566	6956	1891.49	3	13.851166666666668	914171.0
1594	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3893	5936	1892.49	3	12.034833333333333	439191.0
1594	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4061	6188	1892.48	3	12.464883333333335	507975.0
1601	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1063	2308	636.281	1	5.849333333333333	1927410.0
1601	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1282	2572	636.282	1	6.29585	340722.0
1605	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3590	5479	636.557	1	11.2301	425259.0
1605	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3719	5674	636.558	1	11.570033333333333	373941.0
1605	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3780	5769	636.556	1	11.73995	693963.0
1609	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2411	3930	639.423	1	8.596433333333332	12622800.0
1609	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2671	4242	639.423	1	9.120316666666668	3631940.0
1616	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3010	4670	644.494	1	9.844983333333333	372917.0
1616	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3113	4811	644.494	1	10.08355	371993.0
1630	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4404	6690	1948.56	3	13.344633333333332	3175820.0
1630	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4516	6874	1948.56	3	13.694916666666668	3119140.0
1630	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4574	6967	1948.56	3	13.8704	3469970.0
1630	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4637	7063	1948.56	3	14.045366666666666	4015000.0
1631	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1334	2634	650.296	1	6.40275	3780790.0
1631	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1453	2778	650.297	1	6.648116666666667	327099.0
1632	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3687	5622	1949.54	3	11.4803	275896.0
1632	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4204	6397	1949.55	3	12.827133333333334	2634380.0
1632	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4462	6783	1949.55	3	13.519283333333334	3489800.0
1634	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	962	2185	652.274	1	5.635666666666666	501435.0
1634	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1143	2405	652.276	1	6.01495	1869660.0
1640	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1931	3354	655.418	1	7.62645	1839590.0
1640	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2379	3892	655.417	1	8.531183333333333	1537680.0
1642	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	791	1968	657.245	1	5.253466666666667	587750.0
1642	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	918	2132	657.245	1	5.544716666666667	1423100.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3953	6026	660.609	1	12.185283333333333	605973.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4098	6241	660.613	1	12.555299999999999	635475.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4278	6498	660.614	1	13.001016666666667	1348700.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4376	6647	660.614	1	13.269749999999998	1387950.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4618	7037	660.614	1	13.99795	1315530.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4678	7161	660.615	1	14.278516666666667	515056.0
1653	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4687	7216	660.614	1	14.455350000000001	722854.0
1662	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4308	6541	1993.56	3	13.075466666666667	2235460.0
1662	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4386	6662	1993.56	3	13.2968	1964300.0
1662	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4441	6755	1993.55	3	13.4689	1658930.0
1668	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1061	2306	666.293	1	5.845916666666667	831007.0
1668	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1541	2883	666.293	1	6.823816666666667	2689760.0
1669	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3776	5762	666.604	1	11.727599999999999	405748.0
1669	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3951	6024	666.603	1	12.181833333333334	437731.0
1675	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4509	6865	2005.6	3	13.67915	963487.0
1675	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4567	6957	2005.6	3	13.852866666666667	997255.0
1675	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4653	7092	2005.6	3	14.097666666666667	1329520.0
1679	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2207	3685	672.417	1	8.184800000000001	7559970.0
1679	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2294	3790	672.417	1	8.359516666666668	1809770.0
1682	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1501	2835	673.417	1	6.744649999999999	1107960.0
1682	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1876	3288	673.416	1	7.514966666666667	3112690.0
1691	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4486	6819	2038.59	3	13.585	1008070.0
1691	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4537	6908	2038.58	3	13.75915	1009650.0
1691	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4596	7000	2038.59	3	13.93	992732.0
1702	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1080	2329	682.25	1	5.8853	526089.0
1702	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1166	2433	682.25	1	6.061116666666666	43535200.0
1713	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1193	2465	684.273	1	6.113833333333333	3284080.0
1713	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1305	2599	684.264	1	6.341783333333334	860910.0
1714	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	681	1822	684.432	1	4.991866666666667	829446.0
1714	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	908	2120	684.432	1	5.523783333333333	388897.0
1716	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2427	3949	686.433	1	8.627083333333333	5273850.0
1716	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2523	4064	1371.86	2	8.819416666666665	1722670.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2998	4652	692.522	1	9.81225	349157.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3082	4770	692.52	1	10.015483333333332	324331.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3157	4872	692.522	1	10.1867	369794.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3237	4980	692.521	1	10.371516666666668	370076.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3384	5175	692.522	1	10.703533333333333	345807.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3461	5279	692.523	1	10.8782	369726.0
1723	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3596	5490	692.523	1	11.25075	358261.0
1734	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1288	2579	694.287	1	6.3077499999999995	3153910.0
1734	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1668	3036	694.285	1	7.083483333333334	1940590.0
1734	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2076	3528	694.287	1	7.91875	1313620.0
1736	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1253	2537	696.266	1	6.236133333333333	4138490.0
1736	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1359	2664	696.264	1	6.453566666666666	625611.0
1737	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	821	2009	696.266	1	5.329350000000001	374544.0
1737	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	897	2107	696.266	1	5.499666666666667	453723.0
1742	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	802	1982	698.449	1	5.27845	393995.0
1742	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	926	2142	698.448	1	5.562433333333333	768230.0
1742	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1037	2276	698.449	1	5.7924	938498.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4132	6290	2093.65	3	12.640083333333333	1230170.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4199	6389	2093.65	3	12.813899999999999	1672300.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4270	6488	2093.65	3	12.984166666666665	1620940.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4335	6585	2093.65	3	13.155766666666667	1874360.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4398	6681	2093.64	3	13.32925	2212540.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4455	6774	2093.65	3	13.502166666666666	2348560.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4565	6955	2093.65	3	13.849466666666666	2140830.0
1744	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4625	7048	2093.65	3	14.019533333333333	2721940.0
1751	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	608	1716	702.443	1	4.776283333333334	1105360.0
1751	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	665	1802	702.443	1	4.9559	625204.0
1751	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	741	1902	702.443	1	5.1322	4039420.0
1751	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	811	1995	702.444	1	5.303583333333333	843352.0
1751	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	893	2102	702.443	1	5.490883333333333	2056340.0
1751	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	992	2221	702.442	1	5.69855	885020.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	977	2203	703.576	1	5.666033333333333	666766.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1070	2317	703.575	1	5.864883333333333	967419.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1380	2689	703.575	1	6.4956	435282.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1463	2790	703.576	1	6.6687666666666665	500064.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1552	2897	703.575	1	6.8487833333333334	1000320.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1637	2999	703.575	1	7.02105	915207.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1724	3104	703.576	1	7.200616666666666	1111100.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1810	3209	703.574	1	7.381349999999999	1972270.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1899	3316	703.575	1	7.5606	2089820.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1985	3419	703.576	1	7.7350666666666665	2297630.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2075	3527	703.575	1	7.917033333333333	2897020.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2165	3635	703.575	1	8.100216666666666	3761450.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2252	3739	703.575	1	8.274716666666666	4209240.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2340	3845	703.575	1	8.4519	4713810.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2429	3952	703.575	1	8.632016666666667	6183500.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2514	4054	703.575	1	8.8029	5569440.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2599	4156	703.575	1	8.975583333333333	5145740.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2685	4259	703.575	1	9.148016666666667	4996230.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2771	4363	703.575	1	9.322316666666667	4855290.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2858	4469	703.575	1	9.499266666666667	6198070.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2937	4570	703.574	1	9.673966666666667	3150570.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3011	4672	703.574	1	9.848183333333333	2301960.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3084	4773	703.575	1	10.020366666666666	2025100.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3160	4876	703.575	1	10.193266666666666	1371520.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3233	4975	703.574	1	10.363233333333334	1505970.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3310	5079	703.576	1	10.541366666666667	1028230.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3387	5180	703.573	1	10.712683333333333	571532.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3464	5283	703.574	1	10.884716666666666	390299.0
1753	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3539	5406	703.575	1	11.10315	372368.0
1757	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3964	6043	705.593	1	12.213966666666666	804623.0
1757	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4037	6147	705.593	1	12.391183333333334	1435890.0
1757	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4101	6246	705.592	1	12.563483333333332	870700.0
1757	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4170	6344	705.591	1	12.733966666666667	813424.0
1757	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4238	6445	705.594	1	12.90915	770268.0
1760	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3244	4993	706.538	1	10.395900000000001	454044.0
1760	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3429	5238	706.542	1	10.810233333333334	395100.0
1770	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1162	2428	713.268	1	6.053083333333333	2676880.0
1770	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1768	3158	713.271	1	7.2953166666666664	1345610.0
1771	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1498	2832	713.412	1	6.739533333333333	1114210.0
1771	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1735	3117	713.423	1	7.2232666666666665	430240.0
1771	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1868	3278	713.412	1	7.496833333333333	871838.0
1771	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2347	3853	713.419	1	8.465233333333334	651651.0
1771	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2749	4336	713.421	1	9.2781	524659.0
1772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4444	6759	2138.68	3	13.476016666666668	1072850.0
1772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4500	6849	2138.68	3	13.647866666666665	936587.0
1772	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4553	6938	2138.68	3	13.818116666666667	1056450.0
1773	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4323	6564	2138.68	3	13.1194	905432.0
1773	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4383	6658	2138.68	3	13.289966666666666	940095.0
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1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	633	1751	716.459	1	4.8462	7689140.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	690	1835	716.458	1	5.015483333333333	313500000.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	764	1932	716.459	1	5.189266666666667	10458400.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	835	2028	716.458	1	5.3613	612911000.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	917	2131	716.459	1	5.543	6197610.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1000	2232	716.459	1	5.717266666666666	6918400.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1081	2331	716.458	1	5.8887	1653310.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1180	2449	716.458	1	6.087666666666666	732260.0
1776	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1267	2554	716.458	1	6.265083333333333	695461.0
1778	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2841	4448	717.52	1	9.46545	2525520.0
1778	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2941	4575	717.522	1	9.682183333333334	804752.0
1779	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3540	5408	719.575	1	11.106300000000001	1549900.0
1779	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3674	5604	719.573	1	11.451016666666668	1672140.0
1779	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3737	5701	719.575	1	11.619083333333332	1285180.0
1779	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3931	5995	719.572	1	12.133033333333334	813430.0
1781	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	460	1478	720.455	1	4.266983333333333	495798.0
1781	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	512	1560	720.455	1	4.441999999999999	1043980.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2563	4112	720.596	1	8.9012	737094.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2683	4256	720.594	1	9.143183333333333	636935.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2783	4377	720.593	1	9.347900000000001	841830.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2872	4486	720.592	1	9.5295	1696110.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2949	4587	720.595	1	9.7019	782489.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3022	4686	720.592	1	9.87135	644179.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3097	4790	720.594	1	10.048499999999999	876044.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3175	4898	720.593	1	10.23325	1432900.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3251	5002	720.593	1	10.411016666666665	1231860.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3333	5108	720.595	1	10.591083333333334	1301630.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3481	5310	720.587	1	10.933266666666666	2826240.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3607	5505	720.589	1	11.279	3701160.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3795	5795	720.588	1	11.7874	2687200.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3861	5894	720.586	1	11.960516666666667	998812.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3998	6095	720.587	1	12.303466666666667	1315840.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4067	6196	720.591	1	12.478066666666667	667109.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4136	6296	720.596	1	12.651183333333334	541773.0
1782	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4202	6394	720.594	1	12.822166666666668	375883.0
1783	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3408	5210	721.59	1	10.76395	1705630.0
1783	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3673	5603	721.588	1	11.449283333333334	1744710.0
1790	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	826	2016	730.473	1	5.342116666666667	614908.0
1790	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	980	2207	730.474	1	5.673016666666666	2145790.0
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1792	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1064	2309	732.454	1	5.851066666666667	924748.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2686	4260	732.553	1	9.149750000000001	2123830.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2817	4418	732.553	1	9.41615	2655880.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2899	4520	732.553	1	9.586133333333333	3548830.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2972	4619	732.553	1	9.7575	3107670.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3046	4719	732.553	1	9.927366666666668	3841200.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3118	4820	732.553	1	10.100266666666666	4503200.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3192	4920	732.554	1	10.271033333333332	5578640.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3266	5023	732.554	1	10.448133333333335	6987420.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3348	5127	732.554	1	10.6224	8966520.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3421	5229	732.554	1	10.7948	12437300.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3496	5332	732.554	1	10.969033333333334	9015400.0
1795	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3557	5431	732.553	1	11.144366666666667	6787790.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	495	1532	734.471	1	4.376716666666667	887683.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	535	1603	734.473	1	4.5494	666809.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	593	1691	734.468	1	4.7255666666666665	185721000.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	679	1820	734.469	1	4.988483333333334	5155480.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	750	1915	734.47	1	5.157116666666667	3965480.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	868	2072	734.469	1	5.438599999999999	1742650.0
1796	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1031	2269	734.469	1	5.7804166666666665	956884.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1042	2282	734.571	1	5.8027500000000005	986508.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1127	2386	734.57	1	5.9811	853941.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1237	2518	734.57	1	6.204233333333334	761041.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1326	2625	734.57	1	6.38765	766471.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1461	2787	734.57	1	6.663483333333334	424287.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2009	3448	734.57	1	7.78565	646865.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2133	3596	734.57	1	8.03405	926523.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2220	3701	734.57	1	8.21105	815346.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2309	3808	734.569	1	8.3894	1226240.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2394	3910	734.568	1	8.561433333333333	1343960.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2479	4012	734.569	1	8.7335	1607930.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2565	4115	734.568	1	8.906233333333335	2007170.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2655	4223	734.568	1	9.086933333333333	2464220.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2773	4365	734.569	1	9.325733333333334	2501410.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3625	5529	734.569	1	11.318150000000001	19600300.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3691	5628	734.569	1	11.489933333333333	6470110.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3753	5725	734.569	1	11.660583333333333	6426400.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3813	5822	734.57	1	11.83185	7332560.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3879	5919	734.57	1	12.003316666666667	6751290.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3949	6021	734.57	1	12.176983333333334	11377600.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4018	6122	734.569	1	12.349616666666666	6433480.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4084	6220	734.57	1	12.519733333333333	4904930.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4154	6321	734.57	1	12.694833333333333	5466910.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4219	6420	734.57	1	12.86705	3554650.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4293	6519	734.57	1	13.038183333333334	3251920.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4357	6617	734.57	1	13.21315	2574340.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4419	6713	734.57	1	13.38485	1921720.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4476	6804	734.57	1	13.557466666666667	1227850.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4528	6892	734.57	1	13.726833333333333	1029910.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4587	6985	734.57	1	13.90175	1038940.0
1797	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4646	7079	734.57	1	14.072949999999999	1420980.0
1801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	664	1801	738.441	1	4.954166666666667	1445770.0
1801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	836	2029	738.44	1	5.363033333333333	2718640.0
1801	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	941	2160	738.44	1	5.593633333333333	1019880.0
1803	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4481	6810	739.506	1	13.567883333333333	455113.0
1803	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4541	6917	739.504	1	13.778466666666667	497454.0
1803	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4604	7014	739.503	1	13.9568	440794.0
1803	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4662	7108	739.503	1	14.127633333333334	489297.0
1806	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1013	2247	742.457	1	5.7427	1212510.0
1806	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1096	2349	742.456	1	5.918983333333333	8131070.0
1806	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1181	2451	742.456	1	6.0909	3914310.0
1806	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1266	2553	742.456	1	6.263333333333334	2158120.0
1806	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1358	2663	742.458	1	6.451833333333334	892381.0
1806	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1451	2775	742.455	1	6.642933333333334	590271.0
1807	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4026	6132	742.543	1	12.366283333333334	457951.0
1807	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4156	6323	742.545	1	12.6983	391004.0
1809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1249	2532	745.319	1	6.227716666666667	2090010.0
1809	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1375	2683	745.319	1	6.485416666666667	1252350.0
1811	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	606	1714	746.45	1	4.772883333333334	749691.0
1811	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	667	1804	746.451	1	4.9593	772646.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2697	4273	746.571	1	9.171566666666667	1064210.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2813	4413	746.57	1	9.407866666666667	1172380.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2876	4491	746.553	1	9.537616666666667	1230230.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2932	4561	746.571	1	9.655783333333334	1014850.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3003	4661	746.569	1	9.827383333333334	1134910.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3090	4781	746.571	1	10.033533333333333	1369380.0
1813	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3194	4922	746.572	1	10.274483333333334	1562830.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2748	4335	746.604	1	9.276366666666666	1191950.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2885	4502	746.603	1	9.556116666666666	1391720.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2960	4603	746.605	1	9.729333333333333	1222380.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3035	4704	746.605	1	9.900966666666667	1369520.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3107	4804	746.604	1	10.07155	1114420.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3183	4908	746.604	1	10.249933333333333	1057060.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3316	5086	746.605	1	10.553416666666667	1198580.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3416	5221	746.619	1	10.7823	1273220.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3470	5292	746.604	1	10.9007	1111330.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3554	5427	746.603	1	11.137666666666666	774166.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3621	5524	746.611	1	11.309933333333333	1856580.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3688	5624	746.603	1	11.483416666666667	563845.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3752	5723	746.615	1	11.657416666666668	608486.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3810	5818	746.615	1	11.82525	721812.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3882	5922	746.603	1	12.0085	679856.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3950	6022	746.604	1	12.178716666666666	1053600.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4019	6123	746.604	1	12.35135	587141.0
1814	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4112	6261	746.604	1	12.589733333333333	627073.0
1815	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4370	6639	2239.74	3	13.255966666666666	706297.0
1815	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4429	6733	2239.75	3	13.425683333333334	683777.0
1817	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4240	6447	2240.75	3	12.912583333333334	713223.0
1817	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4311	6546	2240.75	3	13.08515	751092.0
1817	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4599	7006	2240.77	3	13.9428	823562.0
1817	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4657	7100	2240.76	3	14.113766666666667	773352.0
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1819	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	548	1632	748.448	1	4.623616666666666	25319000.0
1820	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	643	1769	748.483	1	4.887133333333334	686244.0
1820	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	710	1861	748.487	1	5.058283333333334	753392.0
1820	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	875	2080	748.485	1	5.452533333333333	3841520.0
1821	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3311	5080	748.581	1	10.5431	1548470.0
1821	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3393	5189	748.578	1	10.727516666666666	1171270.0
1830	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4035	6144	756.553	1	12.386249999999999	775265.0
1830	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4149	6314	756.552	1	12.68305	756354.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	466	1487	758.571	1	4.28675	437616.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	516	1567	758.571	1	4.458466666666666	739674.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	553	1638	758.569	1	4.6337	2360330.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	618	1730	758.57	1	4.804166666666666	2441440.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	674	1814	758.57	1	4.97815	3823940.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	804	1984	758.571	1	5.28185	9669780.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	877	2083	758.57	1	5.4578999999999995	13575000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	958	2181	758.57	1	5.628833333333334	18410800.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1045	2286	758.571	1	5.8097666666666665	21799700.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1131	2391	758.57	1	5.989533333333333	25150900.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1216	2493	758.57	1	6.160166666666667	23732500.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1301	2595	758.57	1	6.335	19756300.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1386	2697	758.57	1	6.510283333333334	17314700.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1472	2801	758.57	1	6.688883333333334	14072300.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1562	2909	758.57	1	6.868883333333333	14033300.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1647	3011	758.57	1	7.041399999999999	13867800.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1734	3116	758.571	1	7.221516666666667	14652300.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1819	3220	758.57	1	7.39975	19997400.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1904	3322	758.57	1	7.570833333333334	22312100.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1989	3424	758.571	1	7.743566666666666	28553200.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2074	3526	758.57	1	7.9153	34671300.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2159	3628	758.57	1	8.0869	41853900.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2244	3730	758.57	1	8.25965	47021200.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2329	3832	758.57	1	8.430299999999999	56952200.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2414	3934	758.57	1	8.602683333333333	64613500.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2504	4042	758.57	1	8.783150000000001	89235000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2589	4144	758.57	1	8.9558	79345200.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2674	4246	758.57	1	9.126416666666668	105736000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2760	4350	758.57	1	9.3008	117540000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2847	4456	758.569	1	9.477533333333334	148470000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2930	4559	758.57	1	9.652366666666667	91771900.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3002	4659	758.57	1	9.822933333333333	104419000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3078	4761	758.57	1	9.99625	115454000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3150	4862	758.57	1	10.168866666666666	116558000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3225	4964	758.57	1	10.344066666666667	118124000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3295	5061	758.57	1	10.511666666666667	118095000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3375	5162	758.569	1	10.681483333333334	151265000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3578	5459	758.569	1	11.192916666666667	163433000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3649	5560	758.569	1	11.368016666666668	263543000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3709	5657	758.57	1	11.537733333333334	199099000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3769	5752	758.57	1	11.708983333333332	232107000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3833	5849	758.57	1	11.87865	225931000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3898	5944	758.57	1	12.048616666666668	177851000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3965	6046	758.57	1	12.2192	290756000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4063	6191	758.57	1	12.469783333333334	75947100.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4213	6412	758.57	1	12.853516666666668	84803000.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4288	6512	758.57	1	13.026183333333334	63954100.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4351	6609	758.57	1	13.199266666666666	61379700.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4413	6704	758.57	1	13.369216666666667	39364700.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4469	6795	758.57	1	13.54175	29285100.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4523	6885	758.57	1	13.714333333333334	21905200.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4581	6977	758.57	1	13.8878	23961100.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4641	7071	758.57	1	14.059133333333333	34742600.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4677	7160	758.57	1	14.2768	567952.0
1831	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4686	7213	758.57	1	14.447033333333334	584936.0
1833	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	712	1865	760.465	1	5.065216666666667	162715000.0
1833	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	785	1959	760.466	1	5.2363333333333335	15102900.0
1833	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	854	2055	760.466	1	5.4079	13074800.0
1835	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3437	5248	762.595	1	10.826066666666666	22152800.0
1835	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3515	5362	762.594	1	11.02125	13510800.0
1836	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3987	6080	763.598	1	12.279133333333334	5571820.0
1836	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4085	6221	763.597	1	12.521466666666667	3353010.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1225	2503	768.551	1	6.177116666666667	715456.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1319	2616	768.552	1	6.372366666666666	705642.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1410	2725	768.553	1	6.557883333333334	812866.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1492	2825	768.552	1	6.727666666666667	925942.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1582	2933	768.554	1	6.909716666666667	656915.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1702	3077	768.554	1	7.1539166666666665	543640.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2370	3881	768.547	1	8.513516666666666	568365.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2455	3983	768.558	1	8.685683333333333	891165.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2548	4094	768.556	1	8.87125	840180.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2652	4219	768.549	1	9.0804	950347.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2736	4321	768.556	1	9.253066666666665	1284280.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2825	4428	768.557	1	9.433933333333332	1040970.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2910	4533	768.556	1	9.608783333333333	1233590.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2984	4635	768.545	1	9.784133333333333	1310070.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3059	4736	768.545	1	9.955616666666666	1601810.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3131	4837	768.546	1	10.128449999999999	2053940.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3205	4937	768.547	1	10.299083333333334	2233140.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3277	5037	768.547	1	10.471183333333332	2582000.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3360	5142	768.547	1	10.6471	2504070.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3435	5246	768.548	1	10.822650000000001	6312950.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3506	5346	768.549	1	10.9922	3906910.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3566	5443	768.551	1	11.163983333333334	4588320.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3634	5541	768.547	1	11.3376	4311010.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3698	5639	768.549	1	11.509433333333334	2318880.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3771	5754	768.549	1	11.712449999999999	2500580.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3835	5852	768.548	1	11.883516666666667	1940900.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3944	6013	768.547	1	12.16245	1551410.0
1839	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4014	6116	768.546	1	12.338266666666668	1055180.0
1840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3921	5980	1538.1	2	12.108550000000001	2049910.0
1840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4081	6215	1538.1	2	12.51145	1450560.0
1840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4155	6322	1538.09	2	12.69655	1064980.0
1840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4220	6421	1538.1	2	12.868766666666666	884148.0
1840	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4294	6520	1538.1	2	13.0399	576386.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	967	2191	772.585	1	5.645683333333333	516909.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1050	2292	772.584	1	5.8201833333333335	590057.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1137	2398	772.585	1	6.001466666666667	809979.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1227	2506	772.584	1	6.183866666666666	848796.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1315	2611	772.584	1	6.363816666666667	713595.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1417	2734	772.583	1	6.573166666666666	590610.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1915	3335	772.584	1	7.594366666666667	490468.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2005	3443	772.584	1	7.7771833333333324	676268.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2095	3551	772.584	1	7.9586500000000004	822104.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2186	3660	772.585	1	8.141316666666667	1053140.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2274	3766	772.584	1	8.319933333333333	1539220.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2364	3874	772.586	1	8.500233333333334	1323520.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2449	3976	772.583	1	8.67385	1880430.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2537	4081	772.583	1	8.849516666666666	2012560.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2624	4186	772.584	1	9.02565	2188740.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2709	4288	772.583	1	9.198433333333332	2761760.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2795	4392	772.583	1	9.372566666666668	2905550.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2883	4500	772.582	1	9.552566666666667	3476500.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2958	4600	772.584	1	9.7245	2947570.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3033	4701	772.583	1	9.896099999999999	3366460.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3106	4802	772.582	1	10.068366666666666	3409770.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3182	4907	772.581	1	10.2482	3725570.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3255	5008	772.582	1	10.423783333333335	3958700.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3339	5115	772.582	1	10.603066666666667	3937830.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3413	5217	772.582	1	10.775833333333333	3845630.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3488	5320	772.581	1	10.949916666666667	4837260.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3549	5420	772.582	1	11.126233333333333	4159300.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3615	5516	772.582	1	11.297133333333333	8966470.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3681	5614	772.582	1	11.467600000000001	3396230.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3746	5715	772.583	1	11.6432	3192240.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3805	5811	772.583	1	11.814083333333334	4507530.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3872	5910	772.582	1	11.988266666666668	3483740.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3943	6012	772.583	1	12.160716666666668	3683730.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4010	6111	772.583	1	12.329733333333333	3079760.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4076	6209	772.584	1	12.49965	2673490.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4144	6308	772.584	1	12.672816666666668	2427320.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4209	6406	772.583	1	12.843833333333333	2151410.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4284	6506	772.584	1	13.016383333333332	1450880.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4348	6604	772.583	1	13.189816666666667	1023730.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4411	6701	772.584	1	13.363916666666666	1003570.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4466	6790	772.585	1	13.53285	905533.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4522	6883	772.585	1	13.710783333333334	632751.0
1844	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4640	7069	772.584	1	14.055716666666665	870129.0
1852	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3230	4970	777.281	1	10.355216666666667	1951560.0
1852	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3304	5072	777.28	1	10.529783333333334	953843.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3608	5507	780.552	1	11.281766666666666	54291400.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3677	5608	780.552	1	11.457533333333334	9595700.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3744	5712	780.551	1	11.6383	5381750.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3803	5808	780.552	1	11.809216666666666	43417300.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3869	5906	780.552	1	11.981533333333335	5275090.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3939	6006	780.553	1	12.150883333333333	20784600.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4006	6106	780.551	1	12.3213	14447200.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4074	6206	780.552	1	12.494716666666667	4973590.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4142	6305	780.552	1	12.666133333333333	9321740.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4207	6402	780.552	1	12.835550000000001	4091970.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4281	6502	780.552	1	13.009316666666667	3778670.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4345	6599	780.552	1	13.181116666666666	2727890.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4406	6694	780.552	1	13.351566666666667	2838440.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4517	6876	780.552	1	13.6986	1203150.0
1856	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4636	7062	780.552	1	14.043666666666667	2283510.0
1858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4465	6787	780.552	1	13.526283333333334	2141560.0
1858	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4573	6966	780.552	1	13.868683333333333	1595790.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	536	1606	782.571	1	4.557733333333333	366166.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	596	1695	782.569	1	4.732366666666667	792163.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	647	1776	782.571	1	4.9024	1229090.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	739	1899	782.569	1	5.1267	4897510.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	809	1992	782.57	1	5.297933333333333	3780310.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	882	2089	782.57	1	5.4683166666666665	6044370.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	963	2187	782.569	1	5.638966666666667	7921610.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1046	2287	782.571	1	5.8115	9637130.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1132	2392	782.57	1	5.991266666666666	10957800.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1221	2499	782.57	1	6.170266666666667	9897330.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1306	2601	782.57	1	6.3468	9113440.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1391	2703	782.57	1	6.5205166666666665	6905750.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1477	2807	782.57	1	6.6988	6165470.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1567	2915	782.57	1	6.878983333333333	5786130.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1654	3020	782.571	1	7.0567	5408280.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1736	3119	782.571	1	7.2269	5727550.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1822	3223	782.57	1	7.40485	9012560.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1909	3328	782.57	1	7.580966666666667	9526930.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1994	3430	782.57	1	7.753666666666667	11631000.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2079	3532	782.57	1	7.9270499999999995	14992500.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2164	3634	782.57	1	8.098483333333332	18876700.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2249	3736	782.57	1	8.269583333333333	20870200.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2335	3839	782.57	1	8.441966666666666	24479800.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2420	3941	782.57	1	8.613883333333332	29026400.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2509	4048	782.57	1	8.7931	36598300.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2594	4150	782.57	1	8.9658	39066000.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2684	4258	782.57	1	9.146283333333335	44957500.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2770	4362	782.57	1	9.320583333333333	47617800.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2857	4468	782.569	1	9.497533333333333	53808500.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2934	4566	782.57	1	9.665799999999999	43496900.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3008	4668	782.57	1	9.841550000000002	39967300.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3080	4767	782.569	1	10.009383333333334	40391800.0
1861	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3156	4870	782.57	1	10.183533333333333	40282600.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	578	1670	786.597	1	4.68885	414570.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	636	1757	786.601	1	4.860316666666667	777944.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	698	1845	786.601	1	5.031933333333333	1477020.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	769	1939	786.601	1	5.20195	2362840.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	841	2036	786.6	1	5.375533333333333	4026950.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	921	2136	786.601	1	5.551966666666667	5841540.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1005	2238	786.601	1	5.7274	9560500.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1086	2337	786.601	1	5.898766666666666	11364600.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1171	2439	786.6	1	6.071266666666667	14683000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1256	2541	786.601	1	6.242999999999999	13941600.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1341	2643	786.601	1	6.418016666666667	14102500.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1426	2745	786.601	1	6.591866666666666	11407000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1512	2849	786.601	1	6.768199999999999	9150140.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1597	2951	786.6	1	6.940916666666666	8702530.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1684	3056	786.6	1	7.118166666666666	6823030.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1767	3157	786.6	1	7.293583333333333	6937610.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1854	3262	786.598	1	7.470133333333334	7810590.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1946	3372	786.6	1	7.655916666666667	13912600.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2029	3472	786.6	1	7.8258	10906800.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2115	3575	786.6	1	7.997816666666667	12008100.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2204	3682	786.6	1	8.1797	16271800.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2289	3784	786.599	1	8.349466666666666	22286400.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2375	3887	786.599	1	8.52295	25643600.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2459	3988	786.599	1	8.69405	30652800.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2549	4096	786.599	1	8.874416666666667	33989700.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2634	4198	786.6	1	9.045333333333334	39477000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2719	4300	786.599	1	9.2185	43295900.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2806	4405	786.599	1	9.39445	51270200.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2889	4508	786.599	1	9.566133333333333	56799000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2965	4610	786.599	1	9.741016666666667	49041100.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3041	4712	786.599	1	9.914150000000001	59314100.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3114	4813	786.599	1	10.086549999999999	59073400.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3189	4916	786.599	1	10.264483333333335	75501500.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3261	5017	786.6	1	10.43815	79686100.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3346	5124	786.599	1	10.617533333333334	90350300.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3418	5225	786.6	1	10.788083333333333	119976000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3491	5325	786.6	1	10.957416666666667	106814000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3552	5424	786.6	1	11.1328	43980300.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3619	5521	786.599	1	11.305133333333334	226588000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3685	5620	786.6	1	11.47685	97934600.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3749	5719	786.599	1	11.649583333333334	82725300.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3808	5815	786.599	1	11.820383333333332	103171000.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3936	6002	786.599	1	12.14415	74692900.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4003	6102	786.6	1	12.314566666666668	70254300.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4070	6201	786.6	1	12.486083333333333	53479200.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4139	6301	786.6	1	12.65935	44645800.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4205	6399	786.6	1	12.8304	35203200.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4280	6501	786.6	1	13.007583333333335	29385100.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4344	6598	786.6	1	13.179383333333334	21265800.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4405	6692	786.6	1	13.348116666666666	15354800.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4461	6782	786.601	1	13.517583333333333	10407700.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4514	6872	786.601	1	13.69145	7182720.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4571	6963	786.601	1	13.863366666666668	8870200.0
1863	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4633	7058	786.6	1	14.036750000000001	10724800.0
1865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3710	5658	789.616	1	11.539466666666668	19225800.0
1865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3790	5784	789.616	1	11.766966666666667	27382900.0
1865	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3967	6048	789.616	1	12.222633333333333	24052300.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1021	2257	792.553	1	5.7597499999999995	419807.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1117	2374	792.554	1	5.9609	747521.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1207	2482	792.553	1	6.141733333333334	1046440.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1292	2584	792.554	1	6.316333333333334	1083570.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1376	2685	792.554	1	6.488766666666667	1265100.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1462	2789	792.555	1	6.667016666666667	1026670.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1553	2898	792.554	1	6.850516666666667	1136000.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1639	3001	792.554	1	7.02445	722498.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1727	3107	792.554	1	7.2057166666666665	504156.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2350	3857	792.549	1	8.47185	404332.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2732	4315	792.551	1	9.243316666666667	944166.0
1869	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2920	4545	792.548	1	9.628766666666667	671416.0
1871	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3692	5629	794.601	1	11.491666666666667	510011.0
1871	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3766	5746	794.603	1	11.698783333333333	784336.0
1874	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4163	6332	796.523	1	12.713283333333333	1830930.0
1874	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4321	6559	796.513	1	13.1087	1069610.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2662	4231	796.586	1	9.102116666666666	1004650.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2752	4340	1592.17	2	9.284733333333332	1394780.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2865	4477	796.578	1	9.514666666666667	1458400.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2944	4579	796.585	1	9.688799999999999	1262040.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3023	4687	796.584	1	9.873083333333334	1406320.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3096	4789	796.584	1	10.046766666666667	1717800.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3167	4889	796.584	1	10.217716666666666	3386340.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3241	4989	796.584	1	10.387916666666666	1639230.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3322	5094	796.584	1	10.566333333333334	2103900.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3396	5194	796.583	1	10.735466666666667	2337220.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3472	5295	796.586	1	10.905683333333334	2610280.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3533	5395	1592.16	2	11.081916666666666	2399880.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3597	5492	796.588	1	11.255266666666667	4905450.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3668	5591	796.588	1	11.425266666666666	3140390.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3754	5726	796.586	1	11.662333333333333	2891400.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3815	5824	796.587	1	11.835316666666667	3075770.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3885	5926	1592.17	2	12.016683333333333	2573750.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3957	6031	796.589	1	12.193666666666667	2949480.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4025	6131	796.591	1	12.364550000000001	2795690.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4091	6230	1592.17	2	12.536249999999999	1924840.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4162	6331	796.589	1	12.711549999999999	1830930.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4227	6431	796.59	1	12.885383333333333	1339510.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4301	6531	1592.18	2	13.0584	1220950.0
1875	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4373	6643	1592.17	2	13.2629	868320.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1202	2476	800.617	1	6.131683333333333	2202080.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1310	2605	800.617	1	6.353633333333334	1508990.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1399	2712	800.617	1	6.535816666666666	1348900.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1497	2831	800.616	1	6.737799999999999	1035690.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1602	2957	800.616	1	6.9508	827056.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1700	3075	800.617	1	7.150516666666666	648032.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1893	3308	800.614	1	7.547283333333334	570954.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2007	3445	800.617	1	7.780583333333333	875731.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2175	3647	800.618	1	8.11965	1157530.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2269	3760	800.614	1	8.30965	1561610.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2359	3868	800.614	1	8.49005	1699290.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2445	3971	800.615	1	8.664016666666667	2006700.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2535	4079	800.615	1	8.846083333333333	2279300.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2632	4195	800.614	1	9.040366666666667	2890550.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2720	4301	800.615	1	9.220233333333335	3395160.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2807	4406	800.615	1	9.396183333333333	3995800.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2890	4509	800.615	1	9.567866666666667	4266960.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2966	4611	800.615	1	9.742750000000001	3667060.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3042	4713	800.614	1	9.915899999999999	4236900.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3115	4814	800.614	1	10.088283333333333	3961700.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3190	4917	800.615	1	10.266216666666667	4888650.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3263	5019	800.615	1	10.441533333333332	5105950.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3347	5125	800.613	1	10.619266666666666	4895910.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3419	5226	800.615	1	10.789833333333332	6325690.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3493	5328	800.613	1	10.9623	5237670.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3553	5425	800.613	1	11.134533333333334	3812430.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3620	5522	800.614	1	11.306866666666668	8652820.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3686	5621	800.614	1	11.478583333333335	3598670.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3750	5720	800.615	1	11.651316666666666	3140960.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3814	5823	800.615	1	11.833583333333333	3390020.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3884	5925	800.616	1	12.01495	2929660.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3955	6029	800.616	1	12.190183333333332	4150110.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4023	6129	800.616	1	12.361066666666666	3199400.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4088	6226	800.616	1	12.529583333333333	2625220.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4157	6325	800.617	1	12.701500000000001	2442560.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4221	6423	800.617	1	12.8721	1832250.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4295	6522	800.617	1	13.04325	1337600.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4358	6618	800.617	1	13.214883333333335	1218880.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4420	6714	800.617	1	13.386583333333334	940788.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4478	6806	800.617	1	13.560966666666667	566213.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4538	6909	800.617	1	13.7609	442247.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4595	6999	800.618	1	13.9283	620229.0
1878	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4654	7094	800.618	1	14.101066666666666	607150.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	658	1793	808.586	1	4.939216666666667	433103.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	737	1897	808.584	1	5.1233	859263.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	810	1993	808.586	1	5.299666666666667	1079920.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	887	2095	808.586	1	5.478666666666667	1717650.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	970	2195	808.585	1	5.6524833333333335	2668040.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1897	3313	808.586	1	7.555616666666666	2901400.0
1885	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2061	3510	808.585	1	7.888316666666666	3859610.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	968	2193	810.6	1	5.64905	3161560.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1054	2297	810.601	1	5.8288166666666665	4261010.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1136	2397	810.601	1	5.999733333333333	5725270.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1222	2500	810.601	1	6.172	6172880.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1653	3018	810.601	1	7.05325	3327860.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1738	3121	810.601	1	7.2304	2877390.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1842	3247	810.6	1	7.445783333333334	4040100.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1984	3418	810.601	1	7.733333333333333	4814160.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2150	3617	810.601	1	8.068583333333333	6889470.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2239	3724	810.6	1	8.248133333333334	8159420.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2324	3826	810.6	1	8.418966666666666	10943000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2409	3928	810.6	1	8.593033333333333	12388900.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2494	4030	810.6	1	8.763483333333333	17802400.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2579	4132	810.6	1	8.936183333333334	20844500.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2664	4234	810.6	1	9.106983333333334	24926700.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2750	4338	810.6	1	9.281316666666667	27164900.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2833	4438	810.6	1	9.450183333333333	32123600.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2917	4542	810.6	1	9.623666666666667	26083500.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2988	4640	810.6	1	9.792416666666666	35160700.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3062	4740	810.599	1	9.962333333333333	38324000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3132	4839	810.6	1	10.131616666666668	43262600.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3207	4940	810.6	1	10.303816666666668	53802700.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3278	5039	810.6	1	10.47415	57390700.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3358	5140	810.6	1	10.643699999999999	63336400.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3430	5240	810.6	1	10.812866666666668	126609000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3502	5340	810.6	1	10.982433333333335	72003000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3561	5436	810.6	1	11.15255	53011800.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3627	5532	810.6	1	11.322616666666667	118901000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3693	5631	810.6	1	11.494816666666667	48292100.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3798	5800	810.6	1	11.796266666666666	65773200.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3863	5898	810.6	1	11.968016666666667	32695100.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3933	5998	810.6	1	12.137933333333333	35464500.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4000	6098	810.6	1	12.308316666666666	36279000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4068	6198	810.6	1	12.48125	26392700.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4137	6298	810.6	1	12.654416666666666	26856000.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4203	6396	810.601	1	12.825433333333333	19369100.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4276	6496	810.601	1	12.997583333333333	16853400.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4340	6593	810.601	1	13.169316666666667	11380100.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4402	6687	810.601	1	13.339533333333332	8136050.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4458	6778	810.601	1	13.51065	6005330.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4510	6867	810.601	1	13.682766666666668	4501920.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4568	6959	810.601	1	13.856383333333333	4680420.0
1887	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4630	7054	810.601	1	14.029866666666667	6416830.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	703	1851	812.612	1	5.04195	523266.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	777	1949	812.616	1	5.2192	897514.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	848	2046	812.616	1	5.393066666666667	1479660.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	928	2145	812.616	1	5.568	2021140.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1307	2602	812.616	1	6.34855	7466070.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1392	2704	812.615	1	6.522266666666667	6746920.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1478	2808	812.615	1	6.700566666666666	6391570.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1569	2917	812.616	1	6.8824000000000005	5337350.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1737	3120	812.616	1	7.228666666666667	3098490.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1838	3242	812.614	1	7.438016666666667	4179350.0
1888	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2069	3520	812.614	1	7.905183333333333	4624750.0
1890	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4291	6516	815.633	1	13.033066666666667	1789590.0
1890	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4356	6615	815.633	1	13.209716666666667	1296820.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2740	4326	820.588	1	9.261266666666668	1212290.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2828	4431	820.588	1	9.43905	889155.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2915	4539	820.583	1	9.6188	767511.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2990	4643	820.585	1	9.7973	1124140.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3065	4744	820.583	1	9.9689	1204590.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3137	4845	820.584	1	10.1415	1486360.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3211	4945	820.583	1	10.312000000000001	1933610.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3282	5044	820.582	1	10.482433333333335	2477290.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3363	5147	820.583	1	10.65505	2538450.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3441	5253	820.582	1	10.83445	5805600.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3513	5359	1640.16	2	11.016266666666667	2747630.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3580	5461	1640.16	2	11.196499999999999	2234580.0
1897	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3651	5562	820.581	1	11.371616666666666	1550270.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3675	5605	1640.33	2	11.45275	1859210.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3870	5907	1640.31	2	11.983283333333333	3338990.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4011	6112	1640.32	2	12.331466666666667	3062290.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4080	6214	1640.32	2	12.509733333333333	4267700.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4148	6313	1640.32	2	12.681316666666667	3773440.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4214	6413	1640.32	2	12.855266666666667	4891500.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4289	6513	1640.32	2	13.027916666666666	4893820.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4352	6610	1640.32	2	13.200999999999999	5661100.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4417	6709	1640.32	2	13.37785	4442950.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4473	6800	1640.32	2	13.55055	5148420.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4527	6890	1640.32	2	13.723183333333333	5247680.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4585	6982	1640.32	2	13.896533333333334	6035240.0
1898	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4645	7077	1640.32	2	14.069466666666667	4902300.0
1899	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3738	5703	1641.31	2	11.622266666666667	2882510.0
1899	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3804	5809	1641.31	2	11.81095	2223750.0
1899	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3941	6009	1641.32	2	12.155883333333332	2930840.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2877	4493	824.62	1	9.540783333333334	1105850.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2952	4592	824.62	1	9.711216666666667	826764.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3028	4694	824.622	1	9.884616666666666	863683.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3100	4794	824.62	1	10.055233333333332	1026010.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3174	4897	824.619	1	10.231516666666666	1232500.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3250	5001	824.617	1	10.409283333333333	1206300.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3335	5110	824.62	1	10.594516666666667	1227550.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3411	5214	824.617	1	10.770833333333334	1329290.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3484	5315	824.618	1	10.941550000000001	1087140.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3542	5411	824.626	1	11.111316666666665	1217680.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3611	5510	824.629	1	11.287233333333335	2439920.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3682	5615	824.62	1	11.469349999999999	1103520.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3748	5717	824.63	1	11.646749999999999	957479.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3840	5859	824.625	1	11.8962	1376980.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3903	5953	824.621	1	12.064233333333334	844321.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3972	6056	824.622	1	12.236766666666666	1531340.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4042	6156	824.627	1	12.407883333333332	1160550.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4108	6255	824.627	1	12.578399999999998	948795.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4176	6354	824.628	1	12.752916666666666	797786.0
1904	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4252	6464	824.625	1	12.942116666666667	837709.0
1907	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1925	3347	828.35	1	7.61475	563609.0
1907	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2015	3455	828.35	1	7.797433333333333	1349730.0
1907	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2112	3571	828.349	1	7.991283333333333	67589400.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4122	6276	2494.7	3	12.616933333333332	2160650.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4193	6380	2494.71	3	12.79895	2398110.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4263	6479	2494.71	3	12.96885	3085080.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4329	6575	2494.71	3	13.138933333333334	2483310.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4463	6784	832.241	1	13.521033333333332	3218940.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4515	6873	832.241	1	13.693216666666666	3294450.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4572	6964	832.241	1	13.865133333333334	3829850.0
1909	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4634	7059	832.241	1	14.038499999999999	4011950.0
1911	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	563	1651	833.538	1	4.655233333333333	1205450.0
1911	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	672	1810	833.538	1	4.970116666666667	565856.0
1911	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	816	2002	833.536	1	5.316683333333333	1709190.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	746	1908	834.602	1	5.142799999999999	711998.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	814	2000	834.608	1	5.313233333333333	2110960.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	892	2101	834.602	1	5.4891499999999995	1902520.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	978	2205	834.603	1	5.6696	3088440.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1060	2305	834.602	1	5.8441833333333335	4137900.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1146	2409	834.602	1	6.0216	5637210.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1231	2511	834.601	1	6.192383333333334	6290700.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1317	2614	834.602	1	6.368966666666666	5796590.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1401	2715	834.602	1	6.5409999999999995	5245870.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1487	2819	834.601	1	6.717650000000001	4781920.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1573	2922	834.602	1	6.890983333333334	3373070.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1660	3027	834.602	1	7.06845	3301390.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1746	3131	834.603	1	7.2476666666666665	2459030.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1829	3232	834.6	1	7.419583333333334	3092490.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1914	3334	834.602	1	7.592633333333334	3361800.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1999	3436	834.602	1	7.765383333333333	3788770.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2085	3539	834.602	1	7.938716666666666	4662920.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2174	3646	834.602	1	8.117916666666666	6235980.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2259	3748	834.602	1	8.2897	7843960.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2345	3851	834.602	1	8.46195	8178600.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2434	3958	834.602	1	8.642183333333332	12004600.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2520	4061	834.601	1	8.814150000000001	13281600.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2609	4168	834.601	1	8.99375	14133400.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2694	4270	834.601	1	9.166283333333332	18769200.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2780	4374	834.601	1	9.342516666666667	25548200.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2866	4479	834.6	1	9.517750000000001	24546000.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2943	4578	834.601	1	9.68705	21288200.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3015	4677	834.6	1	9.856433333333333	21033300.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3088	4779	834.601	1	10.030133333333334	26778400.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3162	4880	834.601	1	10.200833333333332	29486900.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3236	4979	834.6	1	10.3698	31251400.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3313	5083	834.601	1	10.547983333333333	30312900.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3390	5185	834.601	1	10.720666666666666	33608800.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3466	5287	834.6	1	10.89235	35430900.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3529	5386	834.6	1	11.064266666666667	22531200.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3592	5482	834.6	1	11.23495	23772500.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3663	5583	834.6	1	11.41115	22424100.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3726	5683	834.6	1	11.585166666666668	15688400.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3786	5779	834.6	1	11.7588	27832100.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3850	5875	834.6	1	11.9276	13398100.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3916	5973	834.601	1	12.096983333333332	12131800.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3983	6074	834.6	1	12.2693	17109700.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4051	6173	834.6	1	12.439116666666667	12378100.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4120	6273	834.6	1	12.610716666666667	11396100.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4186	6370	834.601	1	12.78105	9864900.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4258	6472	834.601	1	12.955716666666666	10459000.0
1912	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4326	6569	834.601	1	13.127883333333333	8966020.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1278	2567	838.636	1	6.287266666666667	627377.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1379	2688	838.633	1	6.4938666666666665	737754.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1466	2793	838.633	1	6.6739500000000005	645706.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2485	4019	838.631	1	8.745233333333335	1017790.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2577	4129	838.629	1	8.931316666666667	1239680.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2667	4237	838.63	1	9.112083333333334	1640950.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2756	4345	838.633	1	9.293016666666666	1900740.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2871	4485	838.63	1	9.527766666666668	2025890.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2948	4585	838.631	1	9.6987	1927450.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3039	4709	838.631	1	9.909366666666667	2294250.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3111	4809	838.63	1	10.079983333333333	2522170.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3187	4913	838.631	1	10.259916666666667	2896260.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3270	5028	838.63	1	10.456616666666667	3105450.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3353	5133	838.63	1	10.632733333333334	3707590.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3426	5235	838.631	1	10.805	6277240.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3499	5336	838.63	1	10.9759	3512830.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3562	5437	838.631	1	11.154300000000001	2976410.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3628	5533	838.631	1	11.324366666666666	6880900.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3694	5632	838.631	1	11.496566666666666	3026510.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3755	5728	838.63	1	11.6655	2368700.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3817	5827	838.631	1	11.841783333333332	3910500.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3886	5927	838.63	1	12.018433333333332	2543480.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3956	6030	838.63	1	12.191933333333333	3573110.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4024	6130	838.63	1	12.362816666666667	3029480.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4093	6233	838.63	1	12.541166666666667	2127890.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4167	6337	838.63	1	12.721749999999998	2159190.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4230	6435	838.63	1	12.892116666666668	1607310.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4303	6534	838.63	1	13.06355	1225980.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4368	6635	838.63	1	13.246266666666665	1007200.0
1915	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4438	6751	838.631	1	13.461916666666667	664385.0
1919	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3667	5588	1681.33	2	11.419416666666667	1173950.0
1919	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4285	6507	1681.33	2	13.018133333333333	1165690.0
1919	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4639	7067	1681.33	2	14.052216666666668	1326630.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4008	6108	1682.34	2	12.324883333333334	949835.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4077	6210	1682.33	2	12.501399999999999	1128880.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4145	6309	1682.34	2	12.67455	1161380.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4210	6407	1682.34	2	12.845566666666667	1207370.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4349	6605	1682.33	2	13.191550000000001	1061280.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4412	6702	1682.33	2	13.365666666666668	1285880.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4468	6793	1682.33	2	13.538083333333333	1339650.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4521	6882	1682.33	2	13.70905	1389050.0
1920	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4579	6974	1682.34	2	13.882616666666667	1410090.0
1924	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3645	5554	842.663	1	11.358966666666667	661458.0
1924	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3711	5661	1684.32	2	11.546433333333333	522800.0
1924	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3772	5757	1684.33	2	11.719216666666666	647384.0
1924	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3874	5913	1684.34	2	11.993216666666665	796041.0
1926	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3170	4892	848.616	1	10.222916666666666	382261.0
1926	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3260	5015	848.622	1	10.435333333333334	526129.0
1926	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3397	5196	848.619	1	10.739849999999999	457136.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3783	5774	1698.35	2	11.747883333333334	566398.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3847	5870	1698.37	2	11.91755	1482380.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4049	6169	1698.36	2	12.432683333333333	2196420.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4118	6270	1698.36	2	12.605783333333333	2650760.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4185	6368	1698.36	2	12.777783333333334	3051710.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4256	6469	1698.36	2	12.950583333333332	2598890.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4324	6566	1698.36	2	13.122733333333334	3414720.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4384	6660	1698.36	2	13.29335	3817400.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4439	6753	1698.36	2	13.46545	3894610.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4550	6932	1698.36	2	13.806266666666666	3947320.0
1927	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4612	7026	1698.36	2	13.97765	4214120.0
1928	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3551	5422	1699.35	2	11.129683333333332	347608.0
1928	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3722	5678	1699.36	2	11.57675	804875.0
1928	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3913	5968	1699.36	2	12.088750000000001	2030830.0
1933	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2322	3823	856.38	1	8.414083333333334	7578020.0
1933	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2836	4442	856.38	1	9.455683333333333	331788000.0
1933	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2922	4548	856.382	1	9.633666666666667	1654760.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2699	4276	856.582	1	9.178033333333333	471388.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2786	4381	856.579	1	9.3546	529550.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2979	4628	856.58	1	9.772566666666668	803150.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3057	4733	856.581	1	9.950566666666667	468317.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3128	4833	856.582	1	10.121716666666666	572821.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3203	4934	856.582	1	10.294216666666667	910838.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3280	5041	856.576	1	10.477583333333333	535348.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3362	5145	856.581	1	10.651916666666667	786006.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3438	5249	856.582	1	10.827816666666667	4394540.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3509	5350	856.58	1	10.998383333333333	499744.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3569	5447	856.582	1	11.172366666666667	511720.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3638	5546	856.582	1	11.345816666666668	2306080.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3702	5645	856.581	1	11.519183333333332	559906.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3762	5740	856.583	1	11.689116666666667	440229.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3826	5839	856.582	1	11.862950000000001	1521900.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3963	6041	856.581	1	12.210866666666668	1486630.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4033	6142	856.583	1	12.382833333333334	1097500.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4168	6339	856.58	1	12.725033333333332	1007500.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4234	6440	856.583	1	12.900733333333333	691716.0
1934	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4309	6542	856.58	1	13.077233333333334	534377.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2490	4025	862.632	1	8.755166666666666	728404.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2585	4139	862.63	1	8.947983333333333	662300.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2688	4262	862.631	1	9.1532	827022.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2776	4369	862.631	1	9.33245	1089470.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2898	4518	862.633	1	9.582983333333335	1679020.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2973	4620	862.631	1	9.75925	1114300.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3047	4720	862.631	1	9.929116666666665	1339120.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3119	4821	862.631	1	10.102016666666666	1231790.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3197	4926	862.63	1	10.2812	1362860.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3269	5027	862.63	1	10.454866666666668	1571440.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3352	5132	862.63	1	10.630966666666666	1796060.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3427	5236	862.631	1	10.806766666666666	3233130.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3500	5337	862.632	1	10.97765	1590390.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3563	5438	862.629	1	11.15605	1205710.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3632	5538	862.629	1	11.332666666666666	2641150.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3697	5637	862.629	1	11.504666666666667	1287730.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3760	5737	862.631	1	11.684216666666666	1164840.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3825	5837	862.63	1	11.8598	1251860.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3906	5957	862.63	1	12.070783333333333	1074120.0
1948	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3974	6059	862.63	1	12.241583333333333	1224710.0
1949	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2102	3559	863.315	1	7.971983333333333	2607930.0
1949	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2241	3726	863.315	1	8.25155	1328750.0
1961	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4089	6227	1742.39	2	12.531316666666667	1402230.0
1961	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4222	6424	1742.39	2	12.873850000000001	1768170.0
1964	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4296	6523	1742.39	2	13.044983333333333	1533370.0
1964	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4531	6897	1742.39	2	13.73585	2175400.0
1976	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2077	3529	888.371	1	7.9205000000000005	7403170.0
1976	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2192	3667	888.371	1	8.15315	4959810.0
1976	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2541	4086	888.37	1	8.8579	2410650.0
1978	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3492	5326	1786.41	2	10.95915	973330.0
1978	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4039	6150	1786.41	2	12.396033333333332	3889310.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3900	5947	1786.41	2	12.053516666666667	4336430.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3968	6050	1786.41	2	12.225733333333332	2717710.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4105	6251	1786.41	2	12.571783333333334	5153010.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4242	6450	1786.41	2	12.917533333333333	6914110.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4314	6550	1786.41	2	13.092099999999999	6927570.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4374	6645	1786.41	2	13.266333333333334	7687390.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4431	6738	1786.41	2	13.4367	7909130.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4489	6828	1786.41	2	13.606066666666667	7566750.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4540	6916	1786.41	2	13.776716666666665	8465750.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4601	7009	1786.41	2	13.94805	7171230.0
1981	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4659	7103	1786.41	2	14.11895	8695180.0
1986	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2348	3854	903.488	1	8.467	446520.0
1986	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2766	4357	903.491	1	9.31245	226610.0
1992	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4268	6485	1830.44	2	12.979183333333333	2081420.0
1992	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4333	6582	1830.44	2	13.150733333333333	2164990.0
2018	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4244	6452	1888.48	2	12.920983333333334	762899.0
2018	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4542	6919	1888.48	2	13.78205	817492.0
2026	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	1916	3336	958.412	1	7.5961333333333325	2130000.0
2026	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2131	3594	958.413	1	8.030566666666667	4533610.0
2033	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4394	6675	1930.53	2	13.318999999999999	3839840.0
2033	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4450	6767	1930.53	2	13.489933333333333	4944320.0
2033	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4504	6856	1930.53	2	13.660383333333334	4307430.0
2033	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4559	6947	1930.53	2	13.83405	4591660.0
2049	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2287	3781	991.673	1	8.344583333333334	3192720.0
2049	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2556	4104	991.672	1	8.887849999999998	872032.0
2051	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4181	6362	1988.57	2	12.766516666666666	564035.0
2051	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4254	6466	1988.57	2	12.945549999999999	701373.0
2068	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4530	6895	2076.63	2	13.732149999999999	979230.0
2068	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4588	6986	2076.63	2	13.903516666666667	1232530.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3613	5513	1054.29	1	11.292216666666667	817296.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3683	5616	1054.3	1	11.47115	945265.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3876	5915	1054.3	1	11.9967	1341000.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3946	6016	1054.3	1	12.167399999999999	3304620.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4016	6119	1054.3	1	12.344733333333332	3214720.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4354	6613	1054.3	1	13.206183333333334	6111900.0
2072	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4584	6981	1054.3	1	13.8948	10989500.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3747	5716	1055.3	1	11.645000000000001	1115150.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3806	5812	1055.3	1	11.815866666666667	3062630.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4083	6218	1055.3	1	12.5165	3785680.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4151	6317	1055.3	1	12.688083333333333	6799590.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4215	6415	1055.3	1	12.8586	6311340.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4290	6515	1055.3	1	13.0313	8533350.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4416	6708	1055.3	1	13.376116666666666	10395500.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4472	6799	1055.3	1	13.548816666666665	12018200.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4526	6889	1055.3	1	13.72145	13927600.0
2073	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4643	7074	1055.3	1	14.064316666666667	15445100.0
2074	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3598	5493	1056.29	1	11.25705	711454.0
2074	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3873	5911	1056.3	1	11.99005	1900900.0
2075	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4302	6532	2119.58	2	13.060166666666667	899191.0
2075	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4369	6636	2119.58	2	13.248050000000001	1050770.0
2075	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4442	6756	2119.58	2	13.470666666666666	1255840.0
2075	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4577	6971	2119.58	2	13.877383333333334	1584770.0
2079	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3624	5527	1070.85	1	11.315066666666667	658804.0
2079	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3781	5770	1070.86	1	11.741733333333334	538560.0
2079	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3954	6027	1070.86	1	12.187066666666668	568800.0
2107	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2382	3895	1239.89	1	8.53655	2353760.0
2107	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2567	4117	1239.89	1	8.909766666666666	630520.0
2108	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2278	3770	1253.91	1	8.326816666666666	1559330.0
2108	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2593	4148	1253.9	1	8.9627	936075.0
2109	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2484	4018	1267.92	1	8.743466666666666	1546150.0
2109	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2570	4121	1267.92	1	8.916416666666667	1905950.0
2109	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2884	4501	1267.92	1	9.554383333333334	1710540.0
2112	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2618	4178	1281.93	1	9.012433333333332	1521770.0
2112	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2713	4292	1281.94	1	9.205316666666667	1365630.0
2112	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2803	4401	1281.93	1	9.3883	2314640.0
2113	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2495	4031	1291.92	1	8.7653	1279170.0
2113	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2905	4527	1291.91	1	9.599333333333334	925073.0
2120	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	828	2018	1431.91	1	5.345683333333333	2570330.0
2120	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	956	2178	1431.91	1	5.623866666666667	3135330.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3285	5047	1492.13	1	10.487816666666667	1190580.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3444	5257	1492.13	1	10.842383333333334	1520320.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3528	5384	1492.13	1	11.061083333333332	1367970.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3589	5478	1492.12	1	11.228383333333333	1200010.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3657	5575	1492.13	1	11.397333333333334	959097.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3721	5676	1492.13	1	11.573566666666666	1028650.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3794	5792	1492.13	1	11.781716666666666	855324.0
2130	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3926	5987	1492.13	1	12.120183333333333	978425.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2272	3763	1516.13	1	8.31485	1013040.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2450	3977	1516.13	1	8.6757	2009970.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2540	4085	1516.13	1	8.856133333333334	2398750.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2630	4193	1516.13	1	9.036933333333334	3186790.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2715	4295	1516.13	1	9.210316666666667	3972990.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2800	4398	1516.13	1	9.382900000000001	5455400.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2887	4505	1516.13	1	9.561233333333332	5741770.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2962	4606	1516.13	1	9.734333333333332	4367720.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3038	4708	1516.13	1	9.907616666666666	5487750.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3110	4808	1516.13	1	10.078216666666666	5547920.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3186	4912	1516.13	1	10.258166666666666	5860530.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3256	5010	1516.13	1	10.427066666666667	6074970.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3487	5319	1516.13	1	10.948183333333333	10055500.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3546	5416	1516.13	1	11.119683333333334	8906800.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3679	5611	1516.13	1	11.462633333333335	11263300.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3742	5710	1516.13	1	11.6347	12083600.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3801	5805	1516.13	1	11.804499999999999	12673600.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3868	5905	1516.13	1	11.979800000000001	11252000.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4073	6205	1516.13	1	12.492983333333333	6472330.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4143	6306	1516.13	1	12.668000000000001	4111700.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4208	6404	1516.13	1	12.84055	4161600.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4283	6505	1516.13	1	13.01465	2309640.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4346	6601	1516.13	1	13.1846	1767690.0
2132	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4410	6699	1516.13	1	13.3605	1088450.0
2133	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3412	5216	1517.14	1	10.7741	9812990.0
2133	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3612	5512	1517.14	1	11.290433333333334	20516700.0
2133	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3940	6007	1517.14	1	12.152733333333334	12944200.0
2136	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3253	5005	1530.15	1	10.417183333333332	994224.0
2136	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3367	5151	1530.16	1	10.662316666666667	1075750.0
2136	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3450	5265	1530.17	1	10.855483333333332	789085.0
2136	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3614	5514	1530.15	1	11.294066666666668	894768.0
2139	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2380	3893	1540.13	1	8.53305	1050670.0
2139	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2614	4174	1540.13	1	9.005533333333334	2340970.0
2140	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2312	3811	1542.14	1	8.3943	1272300.0
2140	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2476	4008	1542.15	1	8.726916666666666	2355950.0
2140	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2564	4114	1542.14	1	8.9045	3488340.0
2140	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2706	4284	1542.14	1	9.191699999999999	5079440.0
2140	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2797	4394	1542.14	1	9.376283333333333	6185540.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2273	3764	1544.16	1	8.316716666666666	1162950.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2399	3916	1544.16	1	8.571433333333333	1955110.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2649	4216	1544.16	1	9.0753	4180400.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2790	4386	1544.16	1	9.362699999999998	6367950.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2882	4499	1544.16	1	9.550816666666666	8716590.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2957	4599	1544.16	1	9.722766666666667	6428520.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3032	4700	1544.16	1	9.89435	8916070.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3105	4801	1544.16	1	10.066616666666667	8578580.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3181	4906	1544.16	1	10.246466666666667	10643400.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3254	5007	1544.16	1	10.42205	11352100.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3336	5112	1544.16	1	10.597766666666667	11988800.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3410	5213	1544.16	1	10.769083333333333	14785700.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3483	5314	1544.16	1	10.939783333333333	16392500.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3541	5410	1544.16	1	11.10955	13005500.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3609	5508	1544.16	1	11.283616666666667	17705800.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3678	5609	1544.16	1	11.459399999999999	14659400.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3740	5707	1544.16	1	11.62975	15697000.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3800	5803	1544.16	1	11.801266666666667	14176900.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3865	5901	1544.16	1	11.973099999999999	12439900.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3937	6003	1544.16	1	12.145999999999999	10885700.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4004	6103	1544.16	1	12.316416666666667	8742000.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4071	6202	1544.16	1	12.487933333333332	8602610.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4140	6302	1544.16	1	12.661216666666666	5210810.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4206	6400	1544.16	1	12.832249999999998	4655710.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4282	6503	1544.16	1	13.011166666666666	3345530.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4347	6602	1544.16	1	13.18645	2056630.0
2141	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4408	6697	1544.16	1	13.356783333333334	1135950.0
2142	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3807	5813	3107.29	2	11.8177	1132610.0
2142	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3888	5929	3107.28	2	12.02215	1043040.0
2143	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3243	4992	1554.16	1	10.394166666666667	983273.0
2143	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3344	5121	1554.16	1	10.613066666666667	1176550.0
2143	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3420	5227	1554.15	1	10.791683333333333	1166430.0
2143	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3494	5329	1554.16	1	10.96415	1279540.0
2143	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3556	5429	1554.15	1	11.141250000000001	1115310.0
2143	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3633	5539	1554.15	1	11.334516666666667	1112970.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3070	4750	1558.18	1	9.978883333333332	1145940.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3142	4852	1558.18	1	10.15295	964668.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3219	4956	1558.18	1	10.330033333333335	1231560.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3291	5055	1558.18	1	10.500983333333332	1439730.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3372	5158	1558.18	1	10.675433333333332	1386860.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3447	5261	1558.18	1	10.848933333333333	1797590.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3514	5361	1558.18	1	11.019516666666668	1663460.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3579	5460	1558.18	1	11.194766666666668	1325080.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3650	5561	1558.18	1	11.369866666666667	1259930.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3779	5767	1558.18	1	11.736866666666666	1046990.0
2144	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3849	5873	1558.18	1	11.9244	1151510.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2433	3956	1568.16	1	8.638916666666667	1858890.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2522	4063	1568.16	1	8.8177	2513470.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2610	4169	1568.16	1	8.9956	3073520.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2695	4271	1568.16	1	9.16815	4417360.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2781	4375	1568.16	1	9.344366666666668	6653050.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2867	4480	1568.16	1	9.519616666666668	7485330.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2945	4581	1568.16	1	9.692133333333334	5811590.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3019	4682	1568.16	1	9.864766666666666	7129240.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3092	4784	1568.16	1	10.038549999999999	7980120.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3164	4884	1568.16	1	10.208466666666668	9484650.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3238	4983	1568.16	1	10.377383333333334	9552430.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3315	5085	1568.16	1	10.551683333333333	10259000.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3392	5187	1568.16	1	10.724366666666667	12239000.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3471	5293	1568.16	1	10.90255	11172100.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3532	5394	1568.16	1	11.080183333333334	8439660.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3600	5496	1568.16	1	11.263200000000001	10085400.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3714	5665	1568.16	1	11.553083333333332	6630640.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3784	5776	1568.16	1	11.752366666666667	5728650.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4013	6115	1568.16	1	12.336533333333334	3374320.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4146	6310	1568.16	1	12.6764	2669240.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4232	6437	1568.16	1	12.895716666666667	1806650.0
2145	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4312	6547	1568.16	1	13.087	1193970.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3314	5084	1570.17	1	10.549833333333334	11964200.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3391	5186	1570.17	1	10.722516666666667	14474000.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3469	5291	1570.17	1	10.898966666666666	13621300.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3530	5389	1570.17	1	11.06995	13854400.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3594	5488	1570.18	1	11.247366666666666	11769400.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3669	5594	1570.17	1	11.43085	10914600.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3773	5759	1570.18	1	11.72245	9149550.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3848	5872	1570.18	1	11.92255	9186540.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3914	5970	1570.18	1	12.092016666666666	7722700.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3981	6071	1570.17	1	12.264416666666667	5826740.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4079	6213	1570.18	1	12.508000000000001	4920660.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4211	6409	1570.18	1	12.848966666666666	2770520.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4305	6537	1570.18	1	13.068766666666667	1685290.0
2146	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4371	6641	1570.17	1	13.259416666666668	1211770.0
2147	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3350	5129	1578.16	1	10.626133333333334	1052530.0
2147	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3618	5519	1578.16	1	11.302516666666666	1070680.0
2148	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3423	5231	1579.15	1	10.798516666666666	1354270.0
2148	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3505	5344	1579.16	1	10.989066666666668	1375240.0
2149	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3284	5046	1580.17	1	10.485966666666666	1151590.0
2149	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3587	5473	1580.16	1	11.219366666666668	1180100.0
2150	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3112	4810	1582.18	1	10.081833333333332	1013510.0
2150	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3216	4952	1582.18	1	10.323416666666667	1205370.0
2150	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3366	5150	1582.18	1	10.660466666666668	1237250.0
2150	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3501	5338	1582.18	1	10.9795	1172650.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2438	3962	1592.16	1	8.649049999999999	1211850.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2530	4073	1592.16	1	8.834533333333333	1492230.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2620	4181	1592.17	1	9.017416666666666	2337280.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2708	4286	1592.16	1	9.195233333333334	2903600.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2802	4400	1592.16	1	9.386483333333333	4064350.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2888	4506	1592.16	1	9.563099999999999	4572240.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2983	4633	1592.16	1	9.780933333333333	4173850.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3060	4737	1592.16	1	9.957500000000001	5146020.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3173	4896	1592.16	1	10.229733333333334	6073680.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3969	6051	1592.17	1	12.227599999999999	1475630.0
2152	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4266	6482	1592.17	1	12.974116666666667	988225.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2400	3917	1594.18	1	8.5733	1140300.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2524	4066	1594.17	1	8.8227	1805590.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2704	4282	1594.17	1	9.188116666666668	3436730.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2796	4393	1594.17	1	9.374433333333334	4452510.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2963	4607	1594.17	1	9.7362	4838070.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3058	4735	1594.18	1	9.953883333333332	6398830.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3130	4836	1594.18	1	10.126716666666665	7705370.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3245	4995	1594.18	1	10.399216666666666	7747520.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3365	5149	1594.18	1	10.658616666666667	8066140.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3610	5509	1594.17	1	11.285483333333334	5651980.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3759	5735	1594.18	1	11.67975	3622790.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3845	5867	1594.18	1	11.912666666666667	3395380.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3918	5976	1594.18	1	12.101966666666668	3255410.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4044	6160	1594.18	1	12.41565	2295000.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4110	6258	1594.18	1	12.583499999999999	1895890.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4178	6357	1594.18	1	12.758199999999999	1412010.0
2153	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4260	6474	1594.18	1	12.959283333333333	1114270.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3043	4714	1596.19	1	9.917766666666667	5210850.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3326	5099	1596.19	1	10.574733333333334	9911700.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3440	5252	1596.19	1	10.832683333333334	10765600.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3511	5354	1596.19	1	11.00635	8082290.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3572	5451	1596.19	1	11.179033333333333	6469610.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3680	5612	1596.19	1	11.4645	4542180.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3743	5711	1596.19	1	11.636566666666665	4833400.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3821	5832	1596.19	1	11.850349999999999	4410560.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3910	5963	1596.19	1	12.080716666666666	3904380.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3984	6076	1596.19	1	12.272583333333333	2222130.0
2154	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4177	6356	1596.19	1	12.756333333333334	1345220.0
2155	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2658	4226	1618.18	1	9.09215	1076680.0
2155	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2747	4334	1618.18	1	9.274633333333332	1760390.0
2155	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2901	4522	1618.17	1	9.589666666666666	2362400.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2582	4135	1620.19	1	8.941433333333332	1142830.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2834	4439	1620.19	1	9.452050000000002	2406250.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2976	4624	1620.19	1	9.766	2179600.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3049	4723	1620.19	1	9.9341	3540600.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3122	4825	1620.19	1	10.108666666666666	3924380.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3196	4925	1620.19	1	10.27945	4440870.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3268	5026	1620.19	1	10.453116666666666	5580440.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3349	5128	1620.19	1	10.624283333333333	5349410.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3422	5230	1620.19	1	10.796666666666665	6174160.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3497	5333	1620.19	1	10.9709	4844830.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3559	5433	1620.19	1	11.147933333333333	3202430.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3630	5535	1620.19	1	11.3279	2505100.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3695	5634	1620.19	1	11.49985	1726870.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3757	5731	1620.2	1	11.6721	2029700.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3818	5828	1620.19	1	11.84365	1618090.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3887	5928	1620.2	1	12.020299999999999	1587210.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3958	6032	1620.2	1	12.195533333333334	1144470.0
2156	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	4029	6136	1620.2	1	12.372966666666667	1258240.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	2886	4503	1644.2	1	9.557983333333334	1221200.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3026	4691	1644.19	1	9.87975	1077750.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3099	4793	1644.19	1	10.053466666666667	1284610.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3172	4895	1644.19	1	10.227866666666667	1717810.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3247	4997	1644.19	1	10.40275	1750410.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3332	5107	1644.2	1	10.58935	1639190.0
2158	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3482	5312	1644.19	1	10.936533333333333	1593230.0
2159	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3409	5211	1645.2	1	10.765816666666666	2169500.0
2159	input_spectra/Prod4_s_erythr_EE_YMG_1week.mzML	3616	5517	1645.19	1	11.299000000000001	1393680.0
                                                                   nf_output/clustering/clustersummary.tsv                                                             0000644 0000000 0000000 00000063121 14572074175 017632  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   cluster index	number of spectra	parent mass	precursor charge	precursor mass	sum(precursor intensity)	RTMean
1	2	200.098	1	200.098	1342610.0	6.17945
2	2	200.164	1	200.164	886442.0	7.812875
8	2	202.086	1	202.086	1611100.0	5.422058333333333
9	2	202.086	1	202.086	1283770.0	3.477733333333333
17	3	203.179	1	203.179	2886840.0	5.818833333333333
22	2	205.097	1	205.097	1658320.0	2.98495
25	4	205.195	1	205.195	12510900.0	9.63645
27	4	206.081	1	206.081	3559210.0	2.7198
29	3	207.032	1	207.032	1561760.0	15.663394444444444
30	2	207.073	1	207.073	2539180.0	4.891824999999999
31	11	207.159	1	207.159	8632600.0	4.361145454545454
36	3	208.944	1	208.944	1539620.0	0.8184238333333332
42	7	211.087	1	211.087	115252000.0	6.8555738095238095
43	11	211.142	1	211.142	133008000.0	4.210752878787879
44	2	211.133	1	211.133	5312600.0	6.14375
46	2	212.164	1	212.164	7222910.0	7.708258333333333
51	13	214.09	1	214.09	8437770.0	13.45238205128205
53	2	214.18	1	214.18	3946690.0	8.08445
61	52	217.108	1	217.108	62461000.0	6.713375592948718
62	4	217.957	1	217.957	9354610.0	3.284095833333333
67	2	219.138	1	219.138	1727400.0	8.767425
69	2	220.097	1	220.097	1681590.0	3.369458333333333
71	2	220.097	1	220.097	2083090.0	1.9428758333333334
75	3	221.117	1	221.117	10605100.0	7.009144444444444
79	2	223.052	1	223.052	3286340.0	3.985975
80	9	223.064	1	223.064	17793600.0	6.972271666666667
81	4	223.064	1	223.064	4593520.0	9.1660875
83	2	223.064	1	223.064	1990410.0	5.890133333333333
90	2	223.064	1	223.064	2552280.0	1.6584266666666667
93	2	223.988	1	223.988	1724750.0	9.069891666666667
94	2	225.102	1	225.102	10278200.0	5.6491999999999996
100	2	227.07	1	227.07	6659370.0	6.167941666666667
103	2	227.081	1	227.081	7866320.0	6.617275
109	2	228.232	1	228.232	3336180.0	9.945775000000001
119	2	230.175	1	230.175	4294080.0	7.788625
123	2	232.097	1	232.097	1922340.0	5.226641666666667
126	2	233.117	1	233.117	7503180.0	6.121425
134	3	235.087	1	235.087	4421170.0	4.5533
135	4	235.133	1	235.133	15399800.0	5.952454166666667
136	5	235.169	1	235.169	2573390.0	15.113433333333333
142	19	236.939	1	236.939	14397500.0	5.181060815789474
156	8	239.089	1	239.089	6866710.0	2.3927458333333336
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1342	4	532.509	1	532.509	4992450.0	13.706708333333333
1348	2	534.213	1	534.213	1847270.0	6.156433333333334
1357	13	536.166	1	536.166	5510950.0	4.857261794871794
1361	4	536.228	1	536.228	23677600.0	7.464066666666667
1369	7	538.207	1	538.207	31626600.0	6.136142857142857
1370	2	538.35	1	538.35	3508610.0	9.4551
1371	2	538.388	1	538.388	3934350.0	10.08205
1374	4	540.354	1	540.354	2633530.0	5.148791666666667
1376	2	540.426	1	540.426	19041600.0	8.460525
1381	3	544.349	1	544.349	1183690.0	5.218516666666667
1386	2	546.249	1	546.249	17031500.0	8.157900000000001
1387	2	546.354	1	546.354	3526570.0	9.289891666666666
1392	2	548.229	1	548.229	2094620.0	7.005883333333333
1393	2	548.228	1	548.228	3820300.0	7.490783333333333
1394	2	548.229	1	548.229	10033200.0	7.252750000000001
1407	8	552.223	1	552.223	47246600.0	6.688106250000001
1412	3	552.366	1	552.366	3847050.0	9.694322222222224
1417	2	554.239	1	554.239	7083700.0	7.191041666666667
1424	2	556.442	1	556.442	1488840.0	10.075475
1430	6	558.364	1	558.364	43428300.0	5.0973194444444445
1439	2	563.551	1	563.551	29693700.0	11.398375
1440	3	564.202	1	564.202	10763400.0	9.385072222222222
1448	7	566.239	1	566.239	92834600.0	7.339883333333333
1453	6	568.218	1	568.218	13406800.0	6.029102777777777
1454	2	568.457	1	568.457	10787700.0	9.194683333333334
1462	3	570.459	1	570.459	1344810.0	10.71877777777778
1467	2	573.373	1	573.373	1827780.0	13.919275
1477	2	576.374	1	576.374	2086320.0	4.235291666666667
1484	2	580.254	1	580.254	75248300.0	7.843866666666667
1487	5	582.234	1	582.234	7043930.0	6.7102900000000005
1506	2	584.472	1	584.472	1687210.0	11.277349999999998
1511	3	588.22	1	588.22	8263970.0	7.026161111111111
1525	4	595.257	1	595.257	7478640.0	8.594054166666666
1531	2	596.249	1	596.249	6871590.0	7.082208333333333
1535	2	597.28	1	597.28	3739060.0	6.568875
1537	21	600.104	1	600.104	19245600.0	10.093830952380952
1559	2	609.273	1	609.273	3167420.0	8.836591666666667
1566	2	614.484	1	614.484	1084540.0	10.587425
1573	3	618.115	1	618.115	1483410.0	9.103311111111111
1575	2	618.115	1	618.115	879215.0	9.000041666666666
1586	2	623.288	1	623.288	1035250.0	9.325491666666666
1592	2	629.25	1	629.25	1228920.0	5.058891666666667
1593	5	1891.49	3	631.163	4564120.0	13.470203333333334
1594	2	1892.49	3	631.495	947165.0	12.249858333333334
1601	2	636.281	1	636.281	2268130.0	6.072591666666666
1605	3	636.557	1	636.557	1493160.0	11.513361111111111
1609	2	639.423	1	639.423	16254700.0	8.858374999999999
1616	2	644.494	1	644.494	744910.0	9.964266666666667
1630	4	1948.56	3	650.185	13779900.0	13.738829166666667
1631	2	650.297	1	650.297	4107890.0	6.525433333333334
1632	3	1949.55	3	650.516	6400080.0	12.608905555555557
1634	2	652.275	1	652.275	2371090.0	5.825308333333333
1640	2	655.418	1	655.418	3377270.0	8.078816666666667
1642	2	657.245	1	657.245	2010850.0	5.399091666666667
1653	7	660.614	1	660.614	6531530.0	13.391880952380953
1662	3	1993.56	3	665.185	5858690.0	13.280388888888888
1668	2	666.293	1	666.293	3520770.0	6.334866666666667
1669	2	666.604	1	666.604	843479.0	11.954716666666666
1675	3	2005.6	3	669.199	3290270.0	13.87656111111111
1679	2	672.417	1	672.417	9369740.0	8.272158333333334
1682	2	673.416	1	673.416	4220660.0	7.129808333333333
1691	3	2038.59	3	680.195	3010450.0	13.758049999999999
1702	2	682.25	1	682.25	44061300.0	5.973208333333333
1713	2	684.269	1	684.269	4144990.0	6.227808333333334
1714	2	684.432	1	684.432	1218340.0	5.257825
1716	2	686.433	1	686.433	6996520.0	8.72325
1723	7	692.522	1	692.522	2487150.0	10.459776190476191
1734	3	694.286	1	694.286	6408110.0	7.103327777777778
1736	2	696.265	1	696.265	4764110.0	6.344849999999999
1737	2	696.266	1	696.266	828267.0	5.414508333333334
1742	3	698.448	1	698.448	2100720.0	5.544427777777777
1744	8	2093.65	3	698.549	15821600.0	13.286791666666666
1751	6	702.443	1	702.443	9554700.0	5.226233333333333
1753	29	703.575	1	703.575	73203200.0	8.583022413793103
1757	5	705.593	1	705.593	4694910.0	12.56235
1760	2	706.54	1	706.54	849144.0	10.603066666666667
1770	2	713.27	1	713.27	4022480.0	6.6742
1771	5	713.416	1	713.416	3592590.0	7.8405933333333335
1772	3	2138.68	3	713.559	3065890.0	13.647333333333334
1773	2	2138.68	3	713.56	1845530.0	13.204683333333334
1776	10	716.458	1	716.458	967104000.0	5.458508333333333
1778	2	717.52	1	717.52	3330270.0	9.573816666666668
1779	4	719.574	1	719.574	5320640.0	11.577358333333333
1781	2	720.455	1	720.455	1539770.0	4.354491666666666
1782	18	720.592	1	720.592	23295100.0	10.777441666666668
1783	2	721.589	1	721.589	3450340.0	11.106616666666667
1790	2	730.474	1	730.474	2760700.0	5.5075666666666665
1792	2	732.453	1	732.453	10278900.0	5.726566666666667
1795	12	732.553	1	732.553	69553700.0	10.182244444444445
1796	7	734.468	1	734.468	199096000.0	5.0023285714285715
1797	31	734.569	1	734.569	108116000.0	10.447755913978494
1801	3	738.44	1	738.44	5184300.0	5.303611111111111
1803	4	739.504	1	739.504	1882660.0	13.857695833333333
1806	6	742.456	1	742.456	16898700.0	6.185113888888889
1807	2	742.544	1	742.544	848955.0	12.532291666666666
1809	2	745.319	1	745.319	3342360.0	6.356566666666667
1811	2	746.451	1	746.451	1522340.0	4.866091666666667
1813	7	746.568	1	746.568	8548800.0	9.70117619047619
1814	18	746.607	1	746.607	18402700.0	10.975703703703704
1815	2	2239.74	3	747.248	1390070.0	13.340824999999999
1817	4	2240.76	3	747.585	3061230.0	13.513575
1819	2	748.448	1	748.448	25662300.0	4.538625
1820	3	748.485	1	748.485	5281160.0	5.132650000000001
1821	2	748.58	1	748.58	2719740.0	10.635308333333334
1830	2	756.553	1	756.553	1531620.0	12.53465
1831	55	758.57	1	758.57	3877040000.0	9.268809090909091
1833	3	760.465	1	760.465	190893000.0	5.236483333333333
1835	2	762.595	1	762.595	35663600.0	10.923658333333332
1836	2	763.598	1	763.598	8924840.0	12.400300000000001
1839	28	768.549	1	768.549	51940500.0	9.591193452380951
1840	5	1538.1	2	769.55	6025980.0	12.645043333333334
1844	43	772.583	1	772.583	102837000.0	10.115231395348838
1852	2	777.281	1	777.281	2905410.0	10.4425
1856	15	780.552	1	780.552	184412000.0	12.52808
1858	2	780.552	1	780.552	3737350.0	13.697483333333334
1861	33	782.57	1	782.57	619233000.0	7.392126262626263
1863	54	786.6	1	786.6	2061520000.0	9.330505864197532
1865	3	789.616	1	789.616	70661000.0	11.843022222222222
1869	12	792.553	1	792.553	9971670.0	7.146593055555556
1871	2	794.602	1	794.602	1294350.0	11.595225
1874	2	796.52	1	796.52	2900540.0	12.910991666666668
1875	24	796.586	1	796.586	52237300.0	11.192198611111111
1878	43	800.615	1	800.615	116097000.0	10.342756201550388
1885	7	808.585	1	808.585	13519000.0	5.991038095238095
1887	43	810.6	1	810.6	1232600000.0	10.219394186046511
1888	11	812.615	1	812.615	42766100.0	6.386169696969697
1890	2	815.633	1	815.633	3086400.0	13.121391666666668
1897	13	820.583	1	820.583	25971500.0	10.315010256410257
1898	13	1640.32	2	820.66	57524700.0	12.973870512820513
1899	3	1641.31	2	821.157	8037100.0	11.863033333333334
1904	20	824.623	1	824.623	23121100.0	11.226635833333333
1907	3	828.349	1	828.349	69502700.0	7.801155555555556
1909	8	2494.71	3	832.236	24482300.0	13.33019375
1911	3	833.537	1	833.537	3480500.0	4.980677777777777
1912	47	834.601	1	834.601	631428000.0	9.151875177304964
1915	30	838.631	1	838.631	73180200.0	10.662172777777778
1919	3	1681.33	2	841.164	3666280.0	12.829922222222223
1920	9	1682.33	2	841.667	10933400.0	13.114818518518518
1924	4	842.668	1	842.668	2627680.0	11.654458333333332
1926	3	848.619	1	848.619	1365530.0	10.466033333333334
1927	11	1698.36	2	849.68	31834700.0	12.917974242424242
1928	3	1699.36	2	850.179	3183310.0	11.598394444444445
1933	3	856.38	1	856.38	341021000.0	9.167811111111112
1934	20	856.581	1	856.581	20129300.0	11.125676666666667
1948	20	862.631	1	862.631	28075400.0	10.528169166666666
1949	2	863.315	1	863.315	3936680.0	8.111766666666666
1961	2	1742.39	2	871.693	3170400.0	12.702583333333333
1964	2	1742.39	2	871.693	3708770.0	13.390416666666667
1976	3	888.371	1	888.371	14773600.0	8.310516666666667
1978	2	1786.41	2	893.704	4862640.0	11.677591666666665
1981	11	1786.41	2	893.706	73544300.0	13.18304393939394
1986	2	903.489	1	903.489	673131.0	8.889725
1992	2	1830.44	2	915.719	4246410.0	13.064958333333333
2018	2	1888.48	2	944.741	1580390.0	13.351516666666667
2026	2	958.413	1	958.413	6663610.0	7.81335
2033	4	1930.53	2	965.764	17683200.0	13.575841666666665
2049	2	991.673	1	991.673	4064750.0	8.616216666666666
2051	2	1988.57	2	994.783	1265410.0	12.856033333333333
2068	2	2076.63	2	1038.81	2211760.0	13.817833333333333
2072	7	1054.3	1	1054.3	26724400.0	12.33902619047619
2073	10	1055.3	1	1055.3	81394100.0	12.926605
2074	2	1056.3	1	1056.3	2612350.0	11.62355
2075	4	2119.58	2	1060.29	4790570.0	13.414066666666667
2079	3	1070.85	1	1070.85	1766160.0	11.747955555555556
2107	2	1239.89	1	1239.89	2984280.0	8.723158333333334
2108	2	1253.9	1	1253.9	2495410.0	8.644758333333332
2109	3	1267.92	1	1267.92	5162630.0	9.071422222222223
2112	3	1281.93	1	1281.93	5202040.0	9.202016666666665
2113	2	1291.92	1	1291.92	2204240.0	9.182316666666667
2120	2	1431.91	1	1431.91	5705660.0	5.484775
2130	8	1492.13	1	1492.13	9100380.0	11.311558333333334
2132	24	1516.13	1	1516.13	137264000.0	10.831427083333333
2133	3	1517.14	1	1517.14	43273900.0	11.405755555555556
2136	4	1530.16	1	1530.16	3753830.0	10.8072625
2139	2	1540.13	1	1540.13	3391640.0	8.769291666666668
2140	5	1542.14	1	1542.14	18381600.0	8.91874
2141	27	1544.16	1	1544.16	243788000.0	11.066324074074075
2142	2	3107.28	2	1554.14	2175640.0	11.919925
2143	6	1554.16	1	1554.16	6834080.0	10.873138888888889
2144	11	1558.18	1	1558.18	14413300.0	10.884784848484848
2145	22	1568.16	1	1568.16	139558000.0	10.613124242424242
2146	14	1570.18	1	1570.18	119072000.0	11.829004761904761
2147	2	1578.16	1	1578.16	2123210.0	10.964324999999999
2148	2	1579.16	1	1579.16	2729510.0	10.893791666666667
2149	2	1580.17	1	1580.17	2331690.0	10.852666666666668
2150	4	1582.18	1	1582.18	4628780.0	10.511304166666667
2152	11	1592.16	1	1592.16	34438900.0	9.983245454545454
2153	17	1594.18	1	1594.18	68233800.0	10.854687254901961
2154	11	1596.19	1	1596.19	61697900.0	11.415601515151515
2155	3	1618.17	1	1618.17	5199470.0	9.318816666666665
2156	18	1620.19	1	1620.19	54655500.0	10.85593888888889
2158	7	1644.19	1	1644.19	10284200.0	10.235385714285714
2159	2	1645.2	1	1645.2	3563180.0	11.032408333333333
                                                                                                                                                                                                                                                                                                                                                                                                                                               nf_output/temp_pairs/                                                                               0000755 0000000 0000000 00000000000 14572074201 013744  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/temp_pairs/0.params_aligns.tsv                                                            0000644 0000000 0000000 00000132125 14572074201 017464  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   CLUSTERID1	CLUSTERID2	DeltaMZ	MinRatio	Cosine	AlignScore2	AlignScore3
2	359	-78.084	0.000	0.7227	0.5690	1
46	53	-2.016	0.000	0.7550	0.6849	1
46	119	-18.011	0.000	0.8364	0.8104	1
53	367	-66.083	0.000	0.8564	0.7185	1
75	135	-14.016	0.000	0.8567	0.7647	1
196	204	-2.016	0.000	0.8948	0.8344	1
204	442	-47.001	0.000	0.7247	0.6052	1
237	364	-25.021	0.000	0.7661	0.6797	1
237	450	-42.047	0.000	0.8354	0.7430	1
237	588	-70.078	0.000	0.7517	0.6150	1
238	243	-0.984	0.000	0.8263	0.7673	1
238	284	-11.004	0.000	0.7470	0.6133	1
238	299	-14.016	0.000	0.8397	0.6832	1
238	376	-28.031	0.000	0.8716	0.7077	1
238	437	-39.036	0.000	0.7414	0.5932	1
238	527	-56.062	0.000	0.9552	0.8284	1
238	647	-85.041	0.000	0.7248	0.5581	1
238	898	-145.062	0.000	0.7285	0.5391	1
243	303	-14.015	0.000	0.7601	0.6667	1
243	376	-27.047	0.000	0.7135	0.6270	1
243	527	-55.078	0.000	0.7823	0.7227	1
246	389	-28.032	0.000	0.9289	0.8160	1
264	268	-0.112	0.000	0.8174	0.7650	1
275	359	-15.011	0.000	0.8267	0.6341	1
275	367	-17.026	0.000	0.7223	0.5675	1
275	588	-61.052	0.000	0.8383	0.6404	1
284	299	-3.012	0.000	0.7047	0.6376	1
284	437	-28.032	0.000	0.8429	0.7467	1
284	647	-74.037	0.000	0.9390	0.8313	1
284	833	-116.047	0.000	0.8204	0.6795	1
284	898	-134.058	0.000	0.7233	0.5759	1
299	376	-14.015	0.000	0.8367	0.7456	1
299	437	-25.020	0.000	0.7788	0.6837	1
299	511	-40.030	0.000	0.7030	0.6092	1
299	527	-42.046	0.000	0.7338	0.6012	1
299	643	-70.078	0.000	0.8246	0.6935	1
299	898	-131.046	0.000	0.7472	0.6052	1
328	480	-28.031	0.000	0.8588	0.6505	1
328	995	-158.058	0.000	0.8186	0.5986	1
359	367	-2.015	0.000	0.7981	0.6946	1
359	450	-18.010	0.000	0.7798	0.6636	1
359	588	-46.041	0.000	0.8162	0.6740	1
364	450	-17.026	0.000	0.7030	0.5971	1
367	450	-15.995	0.000	0.7718	0.6725	1
367	588	-44.026	0.000	0.7998	0.7380	1
376	437	-11.005	0.000	0.8014	0.7464	1
376	527	-28.031	0.000	0.8690	0.7077	1
376	647	-57.010	0.000	0.7096	0.6675	1
376	833	-99.020	0.000	0.7043	0.6575	1
376	898	-117.031	0.000	0.7650	0.6564	1
437	511	-15.010	0.000	0.8049	0.6641	1
437	527	-17.026	0.000	0.7236	0.5932	1
437	647	-46.005	0.000	0.8381	0.7085	1
437	833	-88.015	0.000	0.8445	0.7011	1
437	898	-106.026	0.000	0.7387	0.5649	1
450	588	-28.031	0.000	0.8208	0.7349	1
480	995	-130.027	0.000	0.7680	0.5662	1
491	675	-44.027	0.000	0.9032	0.7192	1
491	947	-114.032	0.000	0.8076	0.6627	1
511	647	-30.995	0.000	0.7091	0.6275	1
511	833	-73.005	0.000	0.7240	0.6271	1
527	898	-89.000	0.000	0.7021	0.4835	1
541	593	-14.016	0.000	0.9556	0.8339	1
557	740	-44.015	0.000	0.7068	0.6084	1
557	947	-100.016	0.000	0.8123	0.6508	1
557	995	-114.032	0.000	0.8493	0.7324	1
557	1111	-144.043	0.000	0.7973	0.6233	1
571	618	-14.016	0.000	0.9864	0.8895	1
571	696	-31.042	0.000	0.9519	0.8079	1
571	809	-58.042	0.000	0.9055	0.7109	1
571	882	-75.069	0.000	0.8428	0.6531	1
571	1022	-119.095	0.000	0.7324	0.5311	1
598	720	-27.996	0.000	0.7237	0.5406	1
618	696	-17.026	0.000	0.9549	0.8310	1
618	809	-44.026	0.000	0.9299	0.7809	1
618	823	-47.038	0.000	0.7356	0.6107	1
618	882	-61.053	0.000	0.8431	0.7184	1
618	1022	-105.079	0.000	0.7258	0.5987	1
647	833	-42.010	0.000	0.8562	0.7550	1
647	898	-60.021	0.000	0.7503	0.7042	1
650	651	-0.036	0.000	0.8706	0.8031	1
656	729	-15.995	0.000	0.7670	0.7375	1
656	739	-18.011	0.000	0.7864	0.5922	1
671	801	-30.011	0.000	0.8185	0.6719	1
689	849	-36.022	0.000	0.7322	0.6219	1
696	809	-27.000	0.000	0.8727	0.7475	1
696	823	-30.012	0.000	0.7169	0.6107	1
696	882	-44.027	0.000	0.9314	0.8285	1
696	1022	-88.053	0.000	0.8302	0.7535	1
724	947	297.193	0.000	0.7416	0.5303	1
729	799	-15.994	0.000	0.7132	0.6892	1
740	947	-56.001	0.000	0.7205	0.6030	1
748	1013	-74.036	0.000	0.7101	0.5100	1
763	840	-18.011	0.000	0.7408	0.7721	1
772	849	-18.011	0.000	0.7172	0.6266	1
783	851	-15.995	0.000	0.7269	0.4874	1
786	1046	-74.019	0.000	0.8416	0.6770	1
799	858	-14.016	0.000	0.7549	0.7081	1
799	865	-15.996	0.000	0.7736	0.6707	1
809	823	-3.012	0.000	0.8389	0.7288	1
809	882	-17.027	0.000	0.9340	0.8622	1
809	978	-47.038	0.000	0.7010	0.5859	1
809	1022	-61.053	0.000	0.7579	0.5987	1
823	882	-14.015	0.000	0.8981	0.7288	1
823	978	-44.026	0.000	0.8541	0.7271	1
823	1022	-58.041	0.000	0.7441	0.5818	1
833	898	-18.011	0.000	0.7696	0.7352	1
840	902	-17.026	0.000	0.7021	0.5848	1
845	1885	-40.942	0.000	0.7755	0.5829	1
849	909	-17.026	0.000	0.7683	0.6299	1
858	1158	-84.021	0.000	0.8697	0.7248	1
865	965	-32.026	0.000	0.7373	0.5692	1
872	876	-1.004	0.000	0.7192	0.5871	1
872	973	-32.027	0.000	0.8240	0.6874	1
882	978	-30.011	0.000	0.7363	0.6260	1
882	1022	-44.026	0.000	0.8860	0.7703	1
882	1424	-162.089	0.000	0.7756	0.6684	1
882	1506	-190.119	0.000	0.7469	0.6684	1
882	1616	-250.141	0.000	0.7350	0.6345	1
898	1439	-164.241	0.000	0.7338	0.7127	1
918	955	-24.000	0.000	0.9038	0.7968	1
918	962	-28.032	0.000	0.9080	0.7759	1
920	1254	308.128	0.000	0.7027	0.5733	1
924	968	-14.016	0.000	0.7249	0.5523	1
947	995	-14.016	0.000	0.8373	0.6988	1
947	1111	-44.027	0.000	0.8612	0.7446	1
947	1376	-124.198	0.000	0.8551	0.7549	1
947	1454	-152.229	0.000	0.7944	0.6497	1
955	1001	-28.030	0.000	0.8636	0.6936	1
955	1254	330.128	0.000	0.7190	0.4952	1
959	1012	-15.995	0.000	0.7167	0.6253	1
962	1001	-23.998	0.000	0.7678	0.5679	1
962	1004	-26.014	0.000	0.7958	0.6450	1
962	1043	-47.998	0.000	0.7728	0.5996	1
965	1012	-14.015	0.000	0.7283	0.6356	1
965	1026	-18.011	0.000	0.7404	0.6958	1
973	1021	-14.015	0.000	0.8228	0.7355	1
978	1022	-14.015	0.000	0.8522	0.7033	1
978	1424	-132.078	0.000	0.7960	0.5803	1
978	1506	-160.108	0.000	0.7430	0.5803	1
978	1616	-220.130	0.000	0.7460	0.5803	1
985	1206	-59.037	0.000	0.8637	0.7224	1
995	1111	-30.011	0.000	0.8507	0.7178	1
995	1771	-283.172	0.000	0.7537	0.5070	1
1001	1004	-2.016	0.000	0.7872	0.5464	1
1001	1043	-24.000	0.000	0.8246	0.6743	1
1001	1181	386.190	0.000	0.7351	0.4917	1
1001	1254	358.158	0.000	0.7518	0.4917	1
1004	1043	-21.984	0.000	0.7762	0.5725	1
1022	1424	-118.063	0.000	0.8272	0.6272	1
1022	1506	-146.093	0.000	0.8379	0.6272	1
1068	1702	-231.028	0.000	0.7124	0.5178	1
1068	1907	-377.127	0.000	0.7014	0.5064	1
1068	2026	-507.191	0.000	0.7255	0.5748	1
1138	1191	-14.015	0.000	0.7054	0.5733	1
1181	1254	-28.032	0.000	0.9729	0.8678	1
1191	1227	-14.016	0.000	0.7127	0.6158	1
1192	1260	-26.016	0.000	0.9354	0.7218	1
1192	1265	-28.032	0.000	0.7406	0.6295	1
1192	1313	-40.031	0.000	0.9404	0.7909	1
1192	1319	-42.047	0.000	0.8845	0.6223	1
1192	1371	-56.064	0.000	0.8090	0.5431	1
1192	1753	-221.251	0.000	0.9149	0.7868	1
1192	1782	-238.268	0.000	0.8997	0.7531	1
1192	1795	-250.229	0.000	0.9173	0.7868	1
1192	1797	-252.245	0.000	0.9080	0.7868	1
1192	1813	-264.244	0.000	0.9134	0.7423	1
1192	1814	-264.283	0.000	0.9124	0.7868	1
1192	1831	-276.246	0.000	0.9184	0.8207	1
1192	1835	-280.271	0.000	0.8482	0.6099	1
1192	1844	-290.259	0.000	0.9129	0.7868	1
1192	1861	-300.246	0.000	0.9188	0.8351	1
1192	1863	-304.276	0.000	0.9112	0.8196	1
1192	1871	-312.278	0.000	0.8188	0.6378	1
1192	1875	-314.262	0.000	0.8912	0.7064	1
1192	1878	-318.291	0.000	0.9097	0.8219	1
1192	1885	-326.261	0.000	0.9014	0.6988	1
1192	1887	-328.276	0.000	0.9160	0.8207	1
1192	1888	-330.291	0.000	0.9042	0.7503	1
1192	1890	-333.309	0.000	0.7768	0.5848	1
1192	1897	-338.259	0.000	0.9105	0.7516	1
1192	1904	-342.299	0.000	0.8943	0.7226	1
1192	1912	-352.277	0.000	0.9199	0.8207	1
1192	1915	-356.307	0.000	0.8864	0.7438	1
1192	1948	-380.307	0.000	0.9118	0.7868	1
1192	2049	-509.349	0.000	0.8650	0.6027	1
1227	1265	-14.016	0.000	0.9340	0.8137	1
1227	1319	-28.031	0.000	0.8107	0.7437	1
1227	1370	-42.010	0.000	0.7668	0.6720	1
1227	1371	-42.048	0.000	0.7654	0.6985	1
1227	1723	-196.182	0.000	0.7408	0.6197	1
1234	1275	-14.016	0.000	0.8143	0.6440	1
1234	1295	-18.010	0.000	0.7594	0.7038	1
1242	1337	-30.010	0.000	0.7941	0.7232	1
1260	1265	-2.016	0.000	0.7168	0.5350	1
1260	1313	-14.015	0.000	0.9518	0.7231	1
1260	1319	-16.031	0.000	0.8910	0.6721	1
1260	1370	-30.010	0.000	0.8201	0.6868	1
1260	1371	-30.048	0.000	0.8089	0.5388	1
1260	1412	-44.026	0.000	0.7347	0.5113	1
1260	1753	-195.235	0.000	0.8271	0.7343	1
1260	1782	-212.252	0.000	0.8069	0.7066	1
1260	1795	-224.213	0.000	0.8203	0.7035	1
1260	1797	-226.229	0.000	0.8049	0.7066	1
1260	1813	-238.228	0.000	0.8149	0.7035	1
1260	1814	-238.267	0.000	0.8156	0.7035	1
1260	1831	-250.230	0.000	0.8219	0.7200	1
1260	1835	-254.255	0.000	0.7604	0.6374	1
1260	1844	-264.243	0.000	0.8207	0.7343	1
1260	1861	-274.230	0.000	0.8237	0.7508	1
1260	1863	-278.260	0.000	0.8164	0.7508	1
1260	1865	-281.276	0.000	0.7456	0.6572	1
1260	1874	-288.180	0.000	0.7175	0.5082	1
1260	1875	-288.246	0.000	0.7918	0.7200	1
1260	1878	-292.275	0.000	0.8137	0.7200	1
1260	1885	-300.245	0.000	0.8112	0.7343	1
1260	1887	-302.260	0.000	0.8215	0.7200	1
1260	1888	-304.275	0.000	0.8088	0.7035	1
1260	1897	-312.243	0.000	0.8145	0.7035	1
1260	1904	-316.283	0.000	0.8022	0.7035	1
1260	1912	-326.261	0.000	0.8253	0.7200	1
1260	1915	-330.291	0.000	0.7911	0.7035	1
1260	1926	-340.279	0.000	0.7423	0.5113	1
1260	1948	-354.291	0.000	0.8270	0.7343	1
1260	2049	-483.333	0.000	0.8651	0.5924	1
1265	1313	-11.999	0.000	0.7400	0.5691	1
1265	1319	-14.015	0.000	0.8738	0.7604	1
1265	1370	-27.994	0.000	0.7948	0.6918	1
1265	1371	-28.032	0.000	0.8205	0.7010	1
1300	1702	-162.053	0.000	0.7262	0.6470	1
1313	1319	-2.016	0.000	0.9062	0.6721	1
1313	1370	-15.995	0.000	0.8265	0.6988	1
1313	1371	-16.033	0.000	0.8277	0.5388	1
1313	1412	-30.011	0.000	0.7506	0.5950	1
1313	1753	-181.220	0.000	0.8344	0.8092	1
1313	1782	-198.237	0.000	0.8020	0.7531	1
1313	1795	-210.198	0.000	0.8247	0.7708	1
1313	1797	-212.214	0.000	0.8174	0.8092	1
1313	1813	-224.213	0.000	0.8195	0.7423	1
1313	1814	-224.252	0.000	0.8242	0.7708	1
1313	1831	-236.215	0.000	0.8231	0.7909	1
1313	1835	-240.240	0.000	0.7610	0.6099	1
1313	1844	-250.228	0.000	0.8286	0.8092	1
1313	1861	-260.215	0.000	0.8246	0.8293	1
1313	1863	-264.245	0.000	0.8163	0.8203	1
1313	1875	-274.231	0.000	0.7979	0.6887	1
1313	1878	-278.260	0.000	0.8191	0.7909	1
1313	1885	-286.230	0.000	0.8194	0.7139	1
1313	1887	-288.245	0.000	0.8214	0.7909	1
1313	1888	-290.260	0.000	0.8101	0.7503	1
1313	1897	-298.228	0.000	0.8145	0.7226	1
1313	1904	-302.268	0.000	0.8078	0.7226	1
1313	1912	-312.246	0.000	0.8256	0.7909	1
1313	1915	-316.276	0.000	0.8006	0.7438	1
1313	1948	-340.276	0.000	0.8264	0.7708	1
1319	1322	-1.979	0.000	0.7363	0.6067	1
1319	1370	-13.979	0.000	0.8765	0.7227	1
1319	1371	-14.017	0.000	0.8550	0.6191	1
1319	1412	-27.995	0.000	0.7206	0.4897	1
1319	1753	-179.204	0.000	0.8024	0.6782	1
1319	1760	-182.169	0.000	0.7245	0.4838	1
1319	1782	-196.221	0.000	0.7920	0.6794	1
1319	1795	-208.182	0.000	0.7910	0.6296	1
1319	1797	-210.198	0.000	0.7863	0.7020	1
1319	1813	-222.197	0.000	0.7879	0.6296	1
1319	1814	-222.236	0.000	0.7981	0.6794	1
1319	1821	-224.209	0.000	0.7407	0.5364	1
1319	1831	-234.199	0.000	0.7868	0.6223	1
1319	1835	-238.224	0.000	0.7752	0.6980	1
1319	1844	-248.212	0.000	0.7953	0.6794	1
1319	1861	-258.199	0.000	0.7890	0.6721	1
1319	1863	-262.229	0.000	0.7942	0.7189	1
1319	1865	-265.245	0.000	0.7575	0.6719	1
1319	1871	-270.231	0.000	0.7191	0.4897	1
1319	1874	-272.149	0.000	0.7007	0.4897	1
1319	1875	-272.215	0.000	0.7791	0.6963	1
1319	1878	-276.244	0.000	0.7969	0.6963	1
1319	1885	-284.214	0.000	0.7878	0.6711	1
1319	1887	-286.229	0.000	0.7949	0.6690	1
1319	1888	-288.244	0.000	0.7913	0.7020	1
1319	1897	-296.212	0.000	0.7917	0.6794	1
1319	1904	-300.252	0.000	0.7857	0.6920	1
1319	1912	-310.230	0.000	0.7915	0.6721	1
1319	1915	-314.260	0.000	0.7965	0.7994	1
1319	1926	-324.248	0.000	0.7366	0.4897	1
1319	1948	-338.260	0.000	0.8068	0.6794	1
1319	2112	-757.563	0.000	0.7713	0.5570	1
1319	2130	-967.760	0.000	0.7223	0.5570	1
1337	1386	-14.016	0.000	0.8861	0.7153	1
1339	1387	-14.016	0.000	0.8399	0.5958	1
1361	1407	-15.995	0.000	0.7702	0.6129	1
1361	1702	-146.022	0.000	0.7777	0.5652	1
1361	1736	-160.037	0.000	0.7043	0.4605	1
1361	2026	-422.185	0.000	0.7524	0.5329	1
1370	1371	-0.038	0.000	0.8437	0.6554	1
1370	1753	-165.225	0.000	0.8829	0.6988	1
1370	1782	-182.242	0.000	0.8805	0.6988	1
1370	1797	-196.219	0.000	0.8604	0.6988	1
1370	1844	-234.233	0.000	0.8723	0.6988	1
1370	1861	-244.220	0.000	0.8694	0.6988	1
1370	1863	-248.250	0.000	0.8616	0.6988	1
1370	1875	-258.236	0.000	0.8523	0.6683	1
1370	1878	-262.265	0.000	0.8700	0.6988	1
1370	1885	-270.235	0.000	0.8556	0.6728	1
1370	1912	-296.251	0.000	0.8661	0.6853	1
1370	1948	-324.281	0.000	0.8785	0.6988	1
1371	1753	-165.187	0.000	0.7221	0.5388	1
1371	1782	-182.204	0.000	0.7076	0.5388	1
1371	1795	-194.165	0.000	0.7141	0.5142	1
1371	1797	-196.181	0.000	0.7081	0.5388	1
1371	1813	-208.180	0.000	0.7095	0.5142	1
1371	1814	-208.219	0.000	0.7136	0.5142	1
1371	1831	-220.182	0.000	0.7123	0.5142	1
1371	1844	-234.195	0.000	0.7174	0.5388	1
1371	1861	-244.182	0.000	0.7124	0.5388	1
1371	1863	-248.212	0.000	0.7063	0.5388	1
1371	1878	-262.227	0.000	0.7151	0.5388	1
1371	1885	-270.197	0.000	0.7100	0.5388	1
1371	1887	-272.212	0.000	0.7097	0.5142	1
1371	1888	-274.227	0.000	0.7017	0.5142	1
1371	1897	-282.195	0.000	0.7127	0.5431	1
1371	1912	-296.213	0.000	0.7123	0.5142	1
1371	1948	-324.243	0.000	0.7247	0.5388	1
1371	2049	-453.285	0.000	0.7864	0.5159	1
1374	1430	-18.010	0.000	0.9374	0.7626	1
1374	1477	-36.020	0.000	0.8907	0.6675	1
1374	1742	-158.094	0.000	0.7629	0.5418	1
1374	1776	-176.104	0.000	0.8097	0.5735	1
1374	1781	-180.101	0.000	0.8330	0.5817	1
1374	1790	-190.120	0.000	0.7452	0.5524	1
1374	1796	-194.114	0.000	0.7661	0.5452	1
1374	1806	-202.102	0.000	0.7088	0.5028	1
1374	1819	-208.094	0.000	0.9042	0.6908	1
1374	1820	-208.131	0.000	0.7888	0.5980	1
1376	1454	-28.031	0.000	0.8826	0.7489	1
1381	1430	-14.015	0.000	0.9202	0.7422	1
1394	1407	-3.994	0.000	0.7790	0.6414	1
1407	1417	-2.016	0.000	0.7121	0.5721	1
1407	1448	-14.016	0.000	0.8216	0.7396	1
1407	1453	-15.995	0.000	0.8308	0.7457	1
1407	1484	-28.031	0.000	0.7890	0.6549	1
1407	1487	-30.011	0.000	0.7819	0.7188	1
1407	1702	-130.027	0.000	0.7169	0.5292	1
1407	1736	-144.042	0.000	0.7852	0.6142	1
1407	2026	-406.190	0.000	0.7018	0.4922	1
1412	1753	-151.209	0.000	0.9412	0.6889	1
1412	1782	-168.226	0.000	0.9327	0.6889	1
1412	1797	-182.203	0.000	0.9354	0.6889	1
1412	1814	-194.241	0.000	0.9423	0.7236	1
1412	1821	-196.214	0.000	0.9033	0.6792	1
1412	1844	-220.217	0.000	0.9417	0.6889	1
1412	1861	-230.204	0.000	0.9364	0.6889	1
1412	1863	-234.234	0.000	0.9274	0.6889	1
1412	1871	-242.236	0.000	0.8839	0.6889	1
1412	1874	-244.154	0.000	0.8752	0.6259	1
1412	1875	-244.220	0.000	0.9180	0.6757	1
1412	1878	-248.249	0.000	0.9361	0.6889	1
1412	1885	-256.219	0.000	0.9240	0.6764	1
1412	1897	-268.217	0.000	0.9277	0.6889	1
1412	1904	-272.257	0.000	0.9271	0.6889	1
1412	1912	-282.235	0.000	0.9348	0.6889	1
1412	1915	-286.265	0.000	0.9233	0.6889	1
1412	1926	-296.253	0.000	0.9060	0.6845	1
1412	1948	-310.265	0.000	0.9422	0.6889	1
1417	1453	-13.979	0.000	0.7114	0.6152	1
1424	1506	-28.030	0.000	0.8790	0.7601	1
1424	1616	-88.052	0.000	0.8513	0.6345	1
1430	1477	-18.010	0.000	0.9092	0.7116	1
1430	1742	-140.084	0.000	0.7686	0.5418	1
1430	1776	-158.094	0.000	0.8133	0.6028	1
1430	1790	-172.110	0.000	0.7544	0.5524	1
1430	1796	-176.104	0.000	0.7712	0.5562	1
1430	1806	-184.092	0.000	0.7056	0.4803	1
1430	1819	-190.084	0.000	0.8997	0.6760	1
1430	1820	-190.121	0.000	0.7869	0.5850	1
1430	1833	-202.101	0.000	0.7039	0.4865	1
1448	1484	-14.015	0.000	0.8994	0.8281	1
1448	1487	-15.995	0.000	0.8097	0.6555	1
1448	1736	-130.026	0.000	0.7969	0.6602	1
1453	1487	-14.016	0.000	0.7532	0.5657	1
1477	1776	-140.084	0.000	0.7758	0.5564	1
1477	1796	-158.094	0.000	0.7551	0.5591	1
1477	1819	-172.074	0.000	0.8870	0.7067	1
1477	1820	-172.111	0.000	0.7781	0.6013	1
1506	1616	-60.022	0.000	0.7909	0.6345	1
1525	1559	-14.016	0.000	0.7185	0.5521	1
1559	1586	-14.015	0.000	0.7017	0.5248	1
1601	1631	-14.016	0.000	0.7100	0.6408	1
1609	1640	-15.995	0.000	0.8114	0.6573	1
1630	1632	-0.993	0.000	0.7082	0.4875	1
1634	1668	-14.018	0.000	0.8409	0.7216	1
1679	1716	-14.016	0.000	0.8132	0.6862	1
1702	1736	-14.015	0.000	0.7251	0.5098	1
1714	1751	-18.011	0.000	0.8097	0.5851	1
1723	1839	-76.027	0.000	0.7446	0.5885	1
1723	1861	-90.048	0.000	0.7133	0.4451	1
1723	1871	-102.080	0.000	0.7462	0.4793	1
1723	1875	-104.064	0.000	0.7281	0.4783	1
1723	1897	-128.061	0.000	0.7398	0.4783	1
1723	1915	-146.109	0.000	0.7198	0.4534	1
1742	1776	-18.010	0.000	0.9271	0.6976	1
1742	1781	-22.007	0.000	0.8115	0.6399	1
1742	1790	-32.026	0.000	0.9049	0.7198	1
1742	1796	-36.020	0.000	0.8802	0.6780	1
1742	1806	-44.008	0.000	0.8953	0.6577	1
1742	1819	-50.000	0.000	0.8333	0.6425	1
1742	1820	-50.037	0.000	0.9114	0.6636	1
1742	1833	-62.017	0.000	0.8085	0.5767	1
1744	1981	307.235	0.000	0.7657	0.5164	1
1751	1776	-14.015	0.000	0.7885	0.5467	1
1751	1781	-18.012	0.000	0.7051	0.5467	1
1751	1796	-32.025	0.000	0.7765	0.6679	1
1751	1806	-40.013	0.000	0.7600	0.5467	1
1751	1811	-44.008	0.000	0.8422	0.6904	1
1751	1819	-46.005	0.000	0.7633	0.5467	1
1751	1820	-46.042	0.000	0.7978	0.5467	1
1753	1782	-17.017	0.000	0.9885	0.8689	1
1753	1795	-28.978	0.000	0.9872	0.8534	1
1753	1797	-30.994	0.000	0.9834	0.9005	1
1753	1813	-42.993	0.000	0.9813	0.7644	1
1753	1814	-43.032	0.000	0.9913	0.8849	1
1753	1821	-45.005	0.000	0.9481	0.7253	1
1753	1831	-54.995	0.000	0.9885	0.8997	1
1753	1835	-59.020	0.000	0.9138	0.6566	1
1753	1836	-60.023	0.000	0.8277	0.5371	1
1753	1844	-69.008	0.000	0.9960	0.9275	1
1753	1861	-78.995	0.000	0.9885	0.8926	1
1753	1863	-83.025	0.000	0.9794	0.8583	1
1753	1865	-86.041	0.000	0.9011	0.6761	1
1753	1871	-91.027	0.000	0.9336	0.7532	1
1753	1874	-92.945	0.000	0.9294	0.7482	1
1753	1875	-93.011	0.000	0.9710	0.7650	1
1753	1878	-97.040	0.000	0.9925	0.9195	1
1753	1885	-105.010	0.000	0.9729	0.7399	1
1753	1887	-107.025	0.000	0.9845	0.8734	1
1753	1888	-109.040	0.000	0.9737	0.7833	1
1753	1890	-112.058	0.000	0.8685	0.6140	1
1753	1897	-117.008	0.000	0.9885	0.8368	1
1753	1904	-121.048	0.000	0.9847	0.8564	1
1753	1912	-131.026	0.000	0.9877	0.8868	1
1753	1915	-135.056	0.000	0.9749	0.8429	1
1753	1924	-139.093	0.000	0.8578	0.5152	1
1753	1926	-145.044	0.000	0.9463	0.6845	1
1753	1948	-159.056	0.000	0.9926	0.8891	1
1753	2049	-288.098	0.000	0.7516	0.5924	1
1760	1782	-14.052	0.000	0.9331	0.6813	1
1760	1813	-40.028	0.000	0.9231	0.6813	1
1760	1814	-40.067	0.000	0.9167	0.6813	1
1760	1821	-42.040	0.000	0.9120	0.6813	1
1760	1844	-66.043	0.000	0.9190	0.6813	1
1760	1863	-80.060	0.000	0.9118	0.6813	1
1760	1865	-83.076	0.000	0.8749	0.6813	1
1760	1875	-90.046	0.000	0.9060	0.6660	1
1760	1878	-94.075	0.000	0.9216	0.6813	1
1760	1897	-114.043	0.000	0.9138	0.6813	1
1760	1904	-118.083	0.000	0.9103	0.6813	1
1760	1915	-132.091	0.000	0.9194	0.6813	1
1760	1948	-156.091	0.000	0.9288	0.6813	1
1776	1781	-3.997	0.000	0.8022	0.6225	1
1776	1790	-14.016	0.000	0.9120	0.6736	1
1776	1796	-18.010	0.000	0.9434	0.8183	1
1776	1806	-25.998	0.000	0.9426	0.7561	1
1776	1811	-29.993	0.000	0.7867	0.5818	1
1776	1819	-31.990	0.000	0.8806	0.7263	1
1776	1820	-32.027	0.000	0.9513	0.7358	1
1776	1833	-44.007	0.000	0.8709	0.7551	1
1781	1790	-10.019	0.000	0.8073	0.6672	1
1781	1796	-14.013	0.000	0.7788	0.6270	1
1781	1806	-22.001	0.000	0.7448	0.6225	1
1781	1819	-27.993	0.000	0.8572	0.6225	1
1781	1820	-28.030	0.000	0.8437	0.7023	1
1781	1833	-40.010	0.000	0.7171	0.5767	1
1782	1795	-11.961	0.000	0.9757	0.7882	1
1782	1797	-13.977	0.000	0.9759	0.8107	1
1782	1813	-25.976	0.000	0.9780	0.7958	1
1782	1814	-26.015	0.000	0.9838	0.8731	1
1782	1821	-27.988	0.000	0.9537	0.7880	1
1782	1831	-37.978	0.000	0.9735	0.8155	1
1782	1835	-42.003	0.000	0.9102	0.7350	1
1782	1836	-43.006	0.000	0.8361	0.6557	1
1782	1844	-51.991	0.000	0.9867	0.8731	1
1782	1861	-61.978	0.000	0.9736	0.8155	1
1782	1863	-66.008	0.000	0.9678	0.8283	1
1782	1865	-69.024	0.000	0.8999	0.7799	1
1782	1871	-74.010	0.000	0.9391	0.7532	1
1782	1874	-75.928	0.000	0.9216	0.6968	1
1782	1875	-75.994	0.000	0.9656	0.7628	1
1782	1878	-80.023	0.000	0.9849	0.8731	1
1782	1885	-87.993	0.000	0.9582	0.7139	1
1782	1887	-90.008	0.000	0.9731	0.8107	1
1782	1888	-92.023	0.000	0.9631	0.7659	1
1782	1890	-95.041	0.000	0.8746	0.7094	1
1782	1897	-99.991	0.000	0.9800	0.8102	1
1782	1904	-104.031	0.000	0.9751	0.8180	1
1782	1912	-114.009	0.000	0.9723	0.8155	1
1782	1915	-118.039	0.000	0.9701	0.8731	1
1782	1924	-122.076	0.000	0.8621	0.5152	1
1782	1926	-128.027	0.000	0.9438	0.6845	1
1782	1948	-142.039	0.000	0.9818	0.8283	1
1782	2112	-561.342	0.000	0.8709	0.6201	1
1782	2130	-771.539	0.000	0.8992	0.6201	1
1782	2141	-823.569	0.000	0.8863	0.6063	1
1783	1875	-74.997	0.000	0.7606	0.5549	1
1783	1897	-98.994	0.000	0.7578	0.5549	1
1790	1796	-3.994	0.000	0.8578	0.6505	1
1790	1806	-11.982	0.000	0.8880	0.6269	1
1790	1819	-17.974	0.000	0.8097	0.6425	1
1790	1820	-18.011	0.000	0.9013	0.6687	1
1790	1833	-29.991	0.000	0.7937	0.5767	1
1795	1797	-2.016	0.000	0.9842	0.8497	1
1795	1813	-14.015	0.000	0.9893	0.8012	1
1795	1814	-14.054	0.000	0.9881	0.8499	1
1795	1821	-16.027	0.000	0.9399	0.6903	1
1795	1831	-26.017	0.000	0.9952	0.8916	1
1795	1835	-30.042	0.000	0.9308	0.7432	1
1795	1836	-31.045	0.000	0.8417	0.6055	1
1795	1844	-40.030	0.000	0.9914	0.8880	1
1795	1861	-50.017	0.000	0.9941	0.8916	1
1795	1863	-54.047	0.000	0.9925	0.9145	1
1795	1865	-57.063	0.000	0.9193	0.7923	1
1795	1874	-63.967	0.000	0.9207	0.7240	1
1795	1875	-64.033	0.000	0.9675	0.7382	1
1795	1878	-68.062	0.000	0.9889	0.8829	1
1795	1885	-76.032	0.000	0.9730	0.7248	1
1795	1887	-78.047	0.000	0.9922	0.8880	1
1795	1888	-80.062	0.000	0.9875	0.8620	1
1795	1890	-83.080	0.000	0.8740	0.6337	1
1795	1897	-88.030	0.000	0.9824	0.7816	1
1795	1904	-92.070	0.000	0.9742	0.7718	1
1795	1912	-102.048	0.000	0.9914	0.8781	1
1795	1915	-106.078	0.000	0.9742	0.8417	1
1795	1948	-130.078	0.000	0.9881	0.8645	1
1795	2049	-259.120	0.000	0.7542	0.6730	1
1795	2107	-507.334	0.000	0.9570	0.7618	1
1795	2112	-549.381	0.000	0.8701	0.6345	1
1796	1806	-7.988	0.000	0.9346	0.7781	1
1796	1811	-11.983	0.000	0.8303	0.6928	1
1796	1819	-13.980	0.000	0.8488	0.7182	1
1796	1820	-14.017	0.000	0.9396	0.7911	1
1796	1833	-25.997	0.000	0.9414	0.7850	1
1797	1813	-11.999	0.000	0.9803	0.7704	1
1797	1814	-12.038	0.000	0.9872	0.8651	1
1797	1821	-14.011	0.000	0.9487	0.7606	1
1797	1831	-24.001	0.000	0.9808	0.8194	1
1797	1835	-28.026	0.000	0.9307	0.8102	1
1797	1836	-29.029	0.000	0.8589	0.7417	1
1797	1844	-38.014	0.000	0.9892	0.8924	1
1797	1861	-48.001	0.000	0.9797	0.8252	1
1797	1863	-52.031	0.000	0.9805	0.8637	1
1797	1865	-55.047	0.000	0.9143	0.8126	1
1797	1871	-60.033	0.000	0.9147	0.6708	1
1797	1874	-61.951	0.000	0.9161	0.6641	1
1797	1875	-62.017	0.000	0.9627	0.7305	1
1797	1878	-66.046	0.000	0.9863	0.8866	1
1797	1885	-74.016	0.000	0.9636	0.7139	1
1797	1887	-76.031	0.000	0.9842	0.8949	1
1797	1888	-78.046	0.000	0.9775	0.8430	1
1797	1890	-81.064	0.000	0.8965	0.7645	1
1797	1897	-86.014	0.000	0.9777	0.7820	1
1797	1904	-90.054	0.000	0.9710	0.7750	1
1797	1912	-100.032	0.000	0.9777	0.8194	1
1797	1915	-104.062	0.000	0.9750	0.8904	1
1797	1948	-128.062	0.000	0.9796	0.8382	1
1797	2112	-547.365	0.000	0.8653	0.6356	1
1797	2130	-757.562	0.000	0.8872	0.6264	1
1797	2145	-833.593	0.000	0.8921	0.5975	1
1806	1811	-3.995	0.000	0.8289	0.6510	1
1806	1819	-5.992	0.000	0.8183	0.6860	1
1806	1820	-6.029	0.000	0.9301	0.6911	1
1806	1833	-18.009	0.000	0.8595	0.6883	1
1811	1820	-2.034	0.000	0.8142	0.6173	1
1813	1814	-0.039	0.000	0.9863	0.8266	1
1813	1821	-2.012	0.000	0.9455	0.7419	1
1813	1831	-12.002	0.000	0.9872	0.7898	1
1813	1835	-16.027	0.000	0.9310	0.7564	1
1813	1836	-17.030	0.000	0.8424	0.6055	1
1813	1844	-26.015	0.000	0.9855	0.7925	1
1813	1861	-36.002	0.000	0.9860	0.7644	1
1813	1863	-40.032	0.000	0.9862	0.7925	1
1813	1865	-43.048	0.000	0.9218	0.7910	1
1813	1871	-48.034	0.000	0.9154	0.6973	1
1813	1874	-49.952	0.000	0.9110	0.6773	1
1813	1875	-50.018	0.000	0.9669	0.7693	1
1813	1878	-54.047	0.000	0.9876	0.8179	1
1813	1885	-62.017	0.000	0.9667	0.7248	1
1813	1887	-64.032	0.000	0.9874	0.7925	1
1813	1888	-66.047	0.000	0.9824	0.7925	1
1813	1890	-69.065	0.000	0.8819	0.6877	1
1813	1897	-74.015	0.000	0.9807	0.8098	1
1813	1904	-78.055	0.000	0.9735	0.8112	1
1813	1912	-88.033	0.000	0.9858	0.7898	1
1813	1915	-92.063	0.000	0.9754	0.8179	1
1813	1926	-102.051	0.000	0.9353	0.6845	1
1813	1948	-116.063	0.000	0.9892	0.8179	1
1813	2049	-245.105	0.000	0.7466	0.5924	1
1813	2130	-745.563	0.000	0.8969	0.5864	1
1814	1821	-1.973	0.000	0.9547	0.7880	1
1814	1831	-11.963	0.000	0.9849	0.8444	1
1814	1835	-15.988	0.000	0.9316	0.7624	1
1814	1836	-16.991	0.000	0.8549	0.6557	1
1814	1844	-25.976	0.000	0.9964	0.9142	1
1814	1861	-35.963	0.000	0.9837	0.8467	1
1814	1863	-39.993	0.000	0.9835	0.8737	1
1814	1865	-43.009	0.000	0.9172	0.8111	1
1814	1871	-47.995	0.000	0.9261	0.7532	1
1814	1874	-49.913	0.000	0.9305	0.7482	1
1814	1875	-49.979	0.000	0.9721	0.7947	1
1814	1878	-54.008	0.000	0.9954	0.9142	1
1814	1885	-61.978	0.000	0.9690	0.7399	1
1814	1887	-63.993	0.000	0.9882	0.8905	1
1814	1888	-66.008	0.000	0.9801	0.8458	1
1814	1890	-69.026	0.000	0.9046	0.7635	1
1814	1897	-73.976	0.000	0.9881	0.8530	1
1814	1904	-78.016	0.000	0.9827	0.8521	1
1814	1912	-87.994	0.000	0.9833	0.8444	1
1814	1915	-92.024	0.000	0.9829	0.9132	1
1814	1924	-96.061	0.000	0.8515	0.5152	1
1814	1926	-102.012	0.000	0.9345	0.6845	1
1814	1948	-116.024	0.000	0.9892	0.8737	1
1814	2049	-245.066	0.000	0.7507	0.5924	1
1814	2130	-745.524	0.000	0.8940	0.6282	1
1814	2156	-873.586	0.000	0.8942	0.5871	1
1815	1899	598.430	0.000	0.7479	0.4624	1
1819	1820	-0.037	0.000	0.8923	0.7662	1
1819	1833	-12.017	0.000	0.7707	0.6016	1
1820	1833	-11.980	0.000	0.8840	0.7545	1
1821	1831	-9.990	0.000	0.9320	0.6792	1
1821	1835	-14.015	0.000	0.9232	0.7606	1
1821	1836	-15.018	0.000	0.8749	0.7417	1
1821	1844	-24.003	0.000	0.9538	0.7880	1
1821	1861	-33.990	0.000	0.9323	0.6792	1
1821	1863	-38.020	0.000	0.9457	0.7662	1
1821	1865	-41.036	0.000	0.9172	0.7308	1
1821	1871	-46.022	0.000	0.9098	0.7253	1
1821	1874	-47.940	0.000	0.8971	0.6968	1
1821	1875	-48.006	0.000	0.9358	0.7296	1
1821	1878	-52.035	0.000	0.9577	0.7880	1
1821	1885	-60.005	0.000	0.9195	0.6764	1
1821	1887	-62.020	0.000	0.9468	0.7606	1
1821	1888	-64.035	0.000	0.9463	0.7146	1
1821	1890	-67.053	0.000	0.9023	0.7606	1
1821	1897	-72.003	0.000	0.9455	0.7694	1
1821	1899	-892.735	0.000	0.7985	0.4668	1
1821	1904	-76.043	0.000	0.9432	0.7824	1
1821	1912	-86.021	0.000	0.9309	0.6792	1
1821	1915	-90.051	0.000	0.9646	0.8122	1
1821	1924	-94.088	0.000	0.8364	0.5152	1
1821	1926	-100.039	0.000	0.9132	0.6792	1
1821	1948	-114.051	0.000	0.9506	0.7419	1
1821	2130	-743.551	0.000	0.8782	0.5857	1
1821	2141	-795.581	0.000	0.8763	0.5857	1
1821	2144	-809.601	0.000	0.8887	0.5857	1
1821	2145	-819.582	0.000	0.8729	0.6100	1
1821	2152	-843.583	0.000	0.8762	0.5857	1
1821	2153	-845.596	0.000	0.8816	0.5857	1
1821	2154	-847.611	0.000	0.8819	0.5857	1
1821	2156	-871.613	0.000	0.8857	0.6100	1
1830	1856	-23.999	0.000	0.8234	0.6530	1
1830	1858	-23.999	0.000	0.7764	0.5683	1
1830	1934	-100.028	0.000	0.8155	0.6728	1
1831	1835	-4.025	0.000	0.9173	0.6374	1
1831	1844	-14.013	0.000	0.9902	0.8997	1
1831	1861	-24.000	0.000	0.9980	0.9502	1
1831	1863	-28.030	0.000	0.9903	0.9129	1
1831	1865	-31.046	0.000	0.9042	0.6761	1
1831	1871	-36.032	0.000	0.9089	0.6973	1
1831	1874	-37.950	0.000	0.9158	0.6793	1
1831	1875	-38.016	0.000	0.9641	0.7518	1
1831	1878	-42.045	0.000	0.9860	0.8988	1
1831	1885	-50.015	0.000	0.9735	0.7248	1
1831	1887	-52.030	0.000	0.9898	0.8712	1
1831	1888	-54.045	0.000	0.9824	0.8023	1
1831	1890	-57.063	0.000	0.8572	0.5923	1
1831	1897	-62.013	0.000	0.9823	0.7936	1
1831	1904	-66.053	0.000	0.9739	0.7997	1
1831	1912	-76.031	0.000	0.9943	0.9319	1
1831	1915	-80.061	0.000	0.9654	0.8104	1
1831	1926	-90.049	0.000	0.9283	0.6845	1
1831	1948	-104.061	0.000	0.9858	0.8891	1
1831	2049	-233.103	0.000	0.7519	0.6405	1
1831	2107	-481.317	0.000	0.9570	0.7618	1
1831	2108	-495.333	0.000	0.8777	0.6270	1
1831	2132	-757.563	0.000	0.8943	0.5885	1
1831	2141	-785.591	0.000	0.8818	0.5829	1
1835	1836	-1.003	0.000	0.9332	0.7833	1
1835	1844	-9.988	0.000	0.9271	0.7624	1
1835	1861	-19.975	0.000	0.9182	0.6501	1
1835	1863	-24.005	0.000	0.9565	0.8185	1
1835	1865	-27.021	0.000	0.9863	0.8626	1
1835	1871	-32.007	0.000	0.8438	0.5956	1
1835	1874	-33.925	0.000	0.8525	0.6231	1
1835	1875	-33.991	0.000	0.9132	0.7624	1
1835	1878	-38.020	0.000	0.9361	0.7624	1
1835	1885	-45.990	0.000	0.8973	0.6374	1
1835	1887	-48.005	0.000	0.9492	0.8377	1
1835	1888	-50.020	0.000	0.9600	0.8185	1
1835	1890	-53.038	0.000	0.9148	0.7645	1
1835	1897	-57.988	0.000	0.9222	0.7624	1
1835	1904	-62.028	0.000	0.9109	0.7624	1
1835	1912	-72.006	0.000	0.9157	0.6374	1
1835	1915	-76.036	0.000	0.9638	0.8377	1
1835	1924	-80.073	0.000	0.7856	0.5181	1
1835	1948	-100.036	0.000	0.9243	0.7432	1
1835	2112	-519.339	0.000	0.8294	0.6107	1
1835	2130	-729.536	0.000	0.8517	0.6107	1
1836	1844	-8.985	0.000	0.8476	0.7068	1
1836	1863	-23.002	0.000	0.8738	0.6916	1
1836	1865	-26.018	0.000	0.9310	0.7084	1
1836	1871	-31.004	0.000	0.7848	0.5371	1
1836	1874	-32.922	0.000	0.7904	0.5371	1
1836	1875	-32.988	0.000	0.8355	0.6557	1
1836	1878	-37.017	0.000	0.8590	0.6557	1
1836	1887	-47.002	0.000	0.8665	0.7417	1
1836	1888	-49.017	0.000	0.8812	0.6916	1
1836	1890	-52.035	0.000	0.8993	0.7417	1
1836	1897	-56.985	0.000	0.8403	0.6557	1
1836	1904	-61.025	0.000	0.8325	0.6557	1
1836	1915	-75.033	0.000	0.9020	0.7417	1
1836	1948	-99.033	0.000	0.8385	0.6055	1
1836	2156	-856.595	0.000	0.8142	0.6092	1
1839	1869	-24.004	0.000	0.7165	0.5870	1
1840	2148	-41.055	0.000	0.7524	0.5131	1
1844	1861	-9.987	0.000	0.9899	0.8992	1
1844	1863	-14.017	0.000	0.9852	0.9127	1
1844	1865	-17.033	0.000	0.9120	0.8111	1
1844	1871	-22.019	0.000	0.9306	0.7532	1
1844	1874	-23.937	0.000	0.9358	0.7482	1
1844	1875	-24.003	0.000	0.9745	0.7935	1
1844	1878	-28.032	0.000	0.9976	0.9554	1
1844	1885	-36.002	0.000	0.9741	0.7399	1
1844	1887	-38.017	0.000	0.9907	0.9220	1
1844	1888	-40.032	0.000	0.9809	0.8458	1
1844	1890	-43.050	0.000	0.8891	0.7094	1
1844	1897	-48.000	0.000	0.9918	0.8530	1
1844	1904	-52.040	0.000	0.9869	0.8521	1
1844	1912	-62.018	0.000	0.9890	0.8868	1
1844	1915	-66.048	0.000	0.9824	0.9122	1
1844	1924	-70.085	0.000	0.8541	0.5152	1
1844	1926	-76.036	0.000	0.9402	0.6845	1
1844	1948	-90.048	0.000	0.9930	0.9209	1
1844	2049	-219.090	0.000	0.7492	0.5924	1
1844	2112	-509.351	0.000	0.8669	0.6597	1
1844	2130	-719.548	0.000	0.8915	0.6657	1
1856	1858	0.000	0.000	0.8216	0.5670	1
1856	1934	-76.029	0.000	0.8641	0.7588	1
1858	1934	-76.029	0.000	0.7294	0.5180	1
1861	1863	-4.030	0.000	0.9888	0.8923	1
1861	1865	-7.046	0.000	0.9036	0.6572	1
1861	1871	-12.032	0.000	0.9181	0.7101	1
1861	1874	-13.950	0.000	0.9198	0.6924	1
1861	1875	-14.016	0.000	0.9682	0.7795	1
1861	1878	-18.045	0.000	0.9857	0.8777	1
1861	1885	-26.015	0.000	0.9780	0.7804	1
1861	1887	-28.030	0.000	0.9924	0.9079	1
1861	1888	-30.045	0.000	0.9816	0.7996	1
1861	1897	-38.013	0.000	0.9825	0.7756	1
1861	1904	-42.053	0.000	0.9730	0.7623	1
1861	1912	-52.031	0.000	0.9972	0.9352	1
1861	1915	-56.061	0.000	0.9643	0.7741	1
1861	1926	-66.049	0.000	0.9298	0.6845	1
1861	1948	-80.061	0.000	0.9863	0.8891	1
1861	2049	-209.103	0.000	0.7501	0.6609	1
1861	2107	-457.317	0.000	0.9547	0.7618	1
1861	2108	-471.333	0.000	0.8739	0.6168	1
1861	2112	-499.364	0.000	0.8607	0.6251	1
1861	2145	-785.592	0.000	0.8823	0.5906	1
1861	2152	-809.593	0.000	0.8853	0.5862	1
1863	1865	-3.016	0.000	0.9493	0.8862	1
1863	1871	-8.002	0.000	0.8997	0.6973	1
1863	1874	-9.920	0.000	0.9056	0.6773	1
1863	1875	-9.986	0.000	0.9640	0.7814	1
1863	1878	-14.015	0.000	0.9863	0.9233	1
1863	1885	-21.985	0.000	0.9647	0.7399	1
1863	1887	-24.000	0.000	0.9954	0.9478	1
1863	1888	-26.015	0.000	0.9960	0.8947	1
1863	1890	-29.033	0.000	0.8912	0.6888	1
1863	1897	-33.983	0.000	0.9785	0.8098	1
1863	1904	-38.023	0.000	0.9681	0.8112	1
1863	1912	-48.001	0.000	0.9889	0.9120	1
1863	1915	-52.031	0.000	0.9831	0.9253	1
1863	1926	-62.019	0.000	0.9186	0.6845	1
1863	1948	-76.031	0.000	0.9829	0.9127	1
1863	2049	-205.073	0.000	0.7443	0.5924	1
1863	2107	-453.287	0.000	0.9478	0.7618	1
1863	2112	-495.334	0.000	0.8748	0.7013	1
1863	2130	-705.531	0.000	0.8881	0.6668	1
1863	2140	-755.544	0.000	0.8905	0.6307	1
1863	2141	-757.561	0.000	0.8946	0.6315	1
1863	2145	-781.562	0.000	0.8924	0.6221	1
1863	2146	-783.575	0.000	0.8939	0.6254	1
1863	2152	-805.563	0.000	0.8875	0.5950	1
1863	2153	-807.576	0.000	0.8943	0.6221	1
1863	2154	-809.591	0.000	0.8961	0.6221	1
1863	2156	-833.593	0.000	0.8936	0.6221	1
1865	1874	-6.904	0.000	0.8314	0.6297	1
1865	1875	-6.970	0.000	0.9031	0.7299	1
1865	1878	-10.999	0.000	0.9238	0.8111	1
1865	1885	-18.969	0.000	0.8819	0.6572	1
1865	1887	-20.984	0.000	0.9411	0.8865	1
1865	1888	-22.999	0.000	0.9539	0.8546	1
1865	1890	-26.017	0.000	0.9068	0.6841	1
1865	1897	-30.967	0.000	0.9132	0.7947	1
1865	1904	-35.007	0.000	0.8964	0.7682	1
1865	1912	-44.985	0.000	0.9035	0.6761	1
1865	1915	-49.015	0.000	0.9560	0.8755	1
1865	1948	-73.015	0.000	0.9164	0.8111	1
1865	2130	-702.515	0.000	0.8547	0.6544	1
1871	1874	-1.918	0.000	0.9213	0.7446	1
1871	1875	-1.984	0.000	0.9366	0.7590	1
1871	1878	-6.013	0.000	0.9290	0.7532	1
1871	1885	-13.983	0.000	0.9251	0.7169	1
1871	1887	-15.998	0.000	0.9200	0.7660	1
1871	1890	-21.031	0.000	0.8740	0.7145	1
1871	1897	-25.981	0.000	0.9351	0.7925	1
1871	1904	-30.021	0.000	0.9268	0.7532	1
1871	1912	-39.999	0.000	0.9258	0.7925	1
1871	1915	-44.029	0.000	0.9167	0.7532	1
1871	1924	-48.066	0.000	0.8703	0.5706	1
1871	1926	-54.017	0.000	0.9091	0.6845	1
1871	1948	-68.029	0.000	0.9269	0.6973	1
1874	1875	-0.066	0.000	0.9594	0.8360	1
1874	1878	-4.095	0.000	0.9346	0.7482	1
1874	1885	-12.065	0.000	0.9164	0.7251	1
1874	1887	-14.080	0.000	0.9236	0.7633	1
1874	1888	-16.095	0.000	0.9021	0.6736	1
1874	1890	-19.113	0.000	0.8589	0.6680	1
1874	1897	-24.063	0.000	0.9345	0.7960	1
1874	1904	-28.103	0.000	0.9611	0.8275	1
1874	1912	-38.081	0.000	0.9243	0.7251	1
1874	1915	-42.111	0.000	0.9186	0.7482	1
1874	1924	-46.148	0.000	0.8298	0.5706	1
1874	1926	-52.099	0.000	0.8824	0.6259	1
1874	1948	-66.111	0.000	0.9212	0.6773	1
1875	1878	-4.029	0.000	0.9742	0.8069	1
1875	1885	-11.999	0.000	0.9602	0.7804	1
1875	1887	-14.014	0.000	0.9732	0.8159	1
1875	1888	-16.029	0.000	0.9609	0.7382	1
1875	1890	-19.047	0.000	0.8910	0.7472	1
1875	1897	-23.997	0.000	0.9732	0.8526	1
1875	1899	-844.729	0.000	0.8084	0.4896	1
1875	1904	-28.037	0.000	0.9827	0.8563	1
1875	1912	-38.015	0.000	0.9713	0.8087	1
1875	1915	-42.045	0.000	0.9637	0.7935	1
1875	1924	-46.082	0.000	0.8575	0.5706	1
1875	1926	-52.033	0.000	0.9194	0.6757	1
1875	1948	-66.045	0.000	0.9709	0.7693	1
1875	2049	-195.087	0.000	0.7297	0.5924	1
1875	2107	-443.301	0.000	0.9375	0.6363	1
1875	2130	-695.545	0.000	0.8850	0.5576	1
1875	2143	-757.569	0.000	0.8942	0.5670	1
1875	2145	-771.576	0.000	0.8836	0.5670	1
1875	2148	-782.570	0.000	0.8702	0.5670	1
1875	2149	-783.581	0.000	0.8842	0.5670	1
1875	2152	-795.577	0.000	0.8904	0.5670	1
1875	2153	-797.590	0.000	0.8875	0.5670	1
1875	2158	-847.607	0.000	0.8837	0.5576	1
1878	1885	-7.970	0.000	0.9697	0.7399	1
1878	1887	-9.985	0.000	0.9912	0.9287	1
1878	1888	-12.000	0.000	0.9830	0.8458	1
1878	1890	-15.018	0.000	0.8977	0.7094	1
1878	1897	-19.968	0.000	0.9910	0.8567	1
1878	1904	-24.008	0.000	0.9857	0.8521	1
1878	1912	-33.986	0.000	0.9851	0.8777	1
1878	1915	-38.016	0.000	0.9865	0.9122	1
1878	1924	-42.053	0.000	0.8499	0.5152	1
1878	1926	-48.004	0.000	0.9368	0.6845	1
1878	1948	-62.016	0.000	0.9913	0.9132	1
1878	2049	-191.058	0.000	0.7463	0.6405	1
1878	2130	-691.516	0.000	0.8915	0.6468	1
1878	2132	-715.518	0.000	0.8867	0.5759	1
1878	2141	-743.546	0.000	0.8866	0.6116	1
1878	2144	-757.566	0.000	0.8961	0.6065	1
1878	2150	-781.567	0.000	0.8841	0.6116	1
1878	2152	-791.548	0.000	0.8889	0.6065	1
1885	1887	-2.015	0.000	0.9737	0.7821	1
1885	1888	-4.030	0.000	0.9598	0.7248	1
1885	1897	-11.998	0.000	0.9641	0.7653	1
1885	1904	-16.038	0.000	0.9562	0.7248	1
1885	1912	-26.016	0.000	0.9795	0.7804	1
1885	1915	-30.046	0.000	0.9527	0.7399	1
1885	1924	-34.083	0.000	0.8448	0.5378	1
1885	1926	-40.034	0.000	0.9212	0.6764	1
1885	1948	-54.046	0.000	0.9731	0.7399	1
1885	2049	-183.088	0.000	0.7432	0.5924	1
1887	1888	-2.015	0.000	0.9918	0.8834	1
1887	1890	-5.033	0.000	0.8910	0.7645	1
1887	1897	-9.983	0.000	0.9859	0.8350	1
1887	1904	-14.023	0.000	0.9750	0.8127	1
1887	1912	-24.001	0.000	0.9928	0.9079	1
1887	1915	-28.031	0.000	0.9824	0.9181	1
1887	1924	-32.068	0.000	0.8342	0.5090	1
1887	1948	-52.031	0.000	0.9850	0.8645	1
1887	2049	-181.073	0.000	0.7472	0.5924	1
1887	2112	-471.334	0.000	0.8661	0.6487	1
1887	2130	-681.531	0.000	0.8824	0.6264	1
1887	2141	-733.561	0.000	0.8878	0.5925	1
1887	2145	-757.562	0.000	0.8892	0.6157	1
1887	2146	-759.575	0.000	0.8854	0.5964	1
1887	2152	-781.563	0.000	0.8873	0.5988	1
1887	2153	-783.576	0.000	0.8902	0.6156	1
1887	2154	-785.591	0.000	0.8880	0.5931	1
1888	1890	-3.018	0.000	0.8970	0.6888	1
1888	1897	-7.968	0.000	0.9737	0.7816	1
1888	1904	-12.008	0.000	0.9653	0.7832	1
1888	1912	-21.986	0.000	0.9789	0.7857	1
1888	1915	-26.016	0.000	0.9837	0.8759	1
1888	1926	-36.004	0.000	0.9167	0.6292	1
1888	1948	-50.016	0.000	0.9795	0.8458	1
1888	2049	-179.058	0.000	0.7390	0.5924	1
1888	2107	-427.272	0.000	0.9435	0.6986	1
1888	2112	-469.319	0.000	0.8665	0.6412	1
1888	2130	-679.516	0.000	0.8859	0.6249	1
1890	1897	-4.950	0.000	0.8997	0.7984	1
1890	1904	-8.990	0.000	0.8922	0.7635	1
1890	1912	-18.968	0.000	0.8569	0.5923	1
1890	1915	-22.998	0.000	0.9406	0.8185	1
1890	1924	-27.035	0.000	0.7934	0.5152	1
1890	1948	-46.998	0.000	0.8744	0.6337	1
1890	2130	-676.498	0.000	0.8289	0.5859	1
1890	2140	-726.511	0.000	0.8280	0.5784	1
1890	2141	-728.528	0.000	0.8313	0.6325	1
1890	2144	-742.548	0.000	0.8415	0.5859	1
1890	2146	-754.542	0.000	0.8411	0.5784	1
1890	2153	-778.543	0.000	0.8415	0.6325	1
1890	2154	-780.558	0.000	0.8403	0.5859	1
1890	2156	-804.560	0.000	0.8354	0.5859	1
1897	1899	-820.732	0.000	0.7988	0.5427	1
1897	1904	-4.040	0.000	0.9805	0.8557	1
1897	1912	-14.018	0.000	0.9835	0.8039	1
1897	1915	-18.048	0.000	0.9741	0.8530	1
1897	1924	-22.085	0.000	0.8490	0.5706	1
1897	1926	-28.036	0.000	0.9284	0.6845	1
1897	1948	-42.048	0.000	0.9827	0.8098	1
1897	2049	-171.090	0.000	0.7460	0.5924	1
1897	2112	-461.351	0.000	0.8594	0.5573	1
1897	2130	-671.548	0.000	0.8852	0.5647	1
1897	2143	-733.572	0.000	0.8878	0.5342	1
1897	2148	-758.573	0.000	0.8606	0.5342	1
1897	2149	-759.584	0.000	0.8659	0.5342	1
1897	2152	-771.580	0.000	0.8866	0.5342	1
1897	2153	-773.593	0.000	0.8797	0.5342	1
1897	2156	-799.610	0.000	0.8846	0.5273	1
1898	1899	-0.994	0.000	0.7862	0.5948	1
1898	1927	-58.040	0.000	0.9326	0.7784	1
1899	1919	-40.014	0.000	0.7939	0.5943	1
1899	1927	-57.046	0.000	0.7920	0.6271	1
1899	2143	87.160	0.000	0.8785	0.4896	1
1899	2145	73.153	0.000	0.8655	0.4831	1
1899	2148	62.159	0.000	0.8657	0.4896	1
1899	2149	61.148	0.000	0.8780	0.4896	1
1899	2152	49.152	0.000	0.8731	0.5107	1
1899	2153	47.139	0.000	0.8772	0.4896	1
1899	2156	21.122	0.000	0.8775	0.5138	1
1904	1912	-9.978	0.000	0.9746	0.7997	1
1904	1915	-14.008	0.000	0.9714	0.8521	1
1904	1924	-18.045	0.000	0.8421	0.5152	1
1904	1926	-23.996	0.000	0.9339	0.6845	1
1904	1948	-38.008	0.000	0.9814	0.8112	1
1904	2049	-167.050	0.000	0.7328	0.5924	1
1904	2112	-457.311	0.000	0.8297	0.5198	1
1904	2130	-667.508	0.000	0.8661	0.5572	1
1907	2026	-130.064	0.000	0.7008	0.4946	1
1909	2072	1440.411	0.000	0.8775	0.7293	1
1909	2073	1439.410	0.000	0.7882	0.6755	1
1912	1915	-4.030	0.000	0.9653	0.8104	1
1912	1924	-8.067	0.000	0.8382	0.5378	1
1912	1926	-14.018	0.000	0.9294	0.6845	1
1912	1948	-28.030	0.000	0.9860	0.8869	1
1912	2049	-157.072	0.000	0.7487	0.5924	1
1912	2107	-405.286	0.000	0.9498	0.7568	1
1912	2112	-447.333	0.000	0.8524	0.5934	1
1912	2113	-457.315	0.000	0.8486	0.6021	1
1912	2152	-757.562	0.000	0.8815	0.5853	1
1915	1924	-4.037	0.000	0.8392	0.5152	1
1915	1926	-9.988	0.000	0.9281	0.6845	1
1915	1948	-24.000	0.000	0.9818	0.8805	1
1915	2049	-153.042	0.000	0.7256	0.5924	1
1915	2112	-443.303	0.000	0.8489	0.6346	1
1915	2130	-653.500	0.000	0.8888	0.6833	1
1915	2141	-705.530	0.000	0.8866	0.6527	1
1915	2143	-715.524	0.000	0.8917	0.6357	1
1915	2144	-719.550	0.000	0.8964	0.6527	1
1915	2145	-729.531	0.000	0.8813	0.6554	1
1915	2153	-755.545	0.000	0.8926	0.6554	1
1915	2154	-757.560	0.000	0.8937	0.6527	1
1915	2156	-781.562	0.000	0.8921	0.6527	1
1919	1920	-1.006	0.000	0.7850	0.5826	1
1919	1927	-17.032	0.000	0.7712	0.5651	1
1920	1927	-16.026	0.000	0.7729	0.5528	1
1924	2141	-701.493	0.000	0.8397	0.4774	1
1924	2143	-711.487	0.000	0.8728	0.5110	1
1924	2145	-725.494	0.000	0.8490	0.5110	1
1924	2152	-749.495	0.000	0.8670	0.5110	1
1924	2153	-751.508	0.000	0.8545	0.5110	1
1926	1948	-14.012	0.000	0.9496	0.6845	1
1948	2049	-129.042	0.000	0.7491	0.5924	1
1948	2112	-419.303	0.000	0.8647	0.6542	1
1948	2130	-629.500	0.000	0.8917	0.6542	1
1948	2145	-705.531	0.000	0.8803	0.6153	1
2049	2109	-276.246	0.000	0.8262	0.6211	1
2049	2113	-300.243	0.000	0.7631	0.5832	1
2072	2073	-1.001	0.000	0.8649	0.6805	1
2072	2074	-1.997	0.000	0.7616	0.6246	1
2073	2074	-0.996	0.000	0.8067	0.6867	1
2108	2109	-14.016	0.000	0.9650	0.7069	1
2108	2112	-28.031	0.000	0.9654	0.7459	1
2108	2145	-314.259	0.000	0.9196	0.6689	1
2109	2112	-14.015	0.000	0.9631	0.7305	1
2109	2113	-23.997	0.000	0.9227	0.5832	1
2109	2130	-224.212	0.000	0.9308	0.6427	1
2112	2130	-210.197	0.000	0.9453	0.7503	1
2112	2136	-248.224	0.000	0.8982	0.5777	1
2112	2140	-260.210	0.000	0.9263	0.6626	1
2112	2141	-262.227	0.000	0.9371	0.6626	1
2112	2143	-272.221	0.000	0.9171	0.5730	1
2112	2144	-276.247	0.000	0.9176	0.5937	1
2112	2145	-286.228	0.000	0.9371	0.7036	1
2112	2146	-288.241	0.000	0.9151	0.6293	1
2112	2152	-310.229	0.000	0.9360	0.7233	1
2112	2153	-312.242	0.000	0.9098	0.5937	1
2112	2154	-314.257	0.000	0.9096	0.5479	1
2112	2155	-336.240	0.000	0.9044	0.5730	1
2112	2156	-338.259	0.000	0.9084	0.5479	1
2112	2158	-362.259	0.000	0.9115	0.5730	1
2113	2145	-276.246	0.000	0.9019	0.5851	1
2113	2152	-300.247	0.000	0.9059	0.5851	1
2130	2132	-24.002	0.000	0.9657	0.6692	1
2130	2136	-38.027	0.000	0.9709	0.7196	1
2130	2140	-50.013	0.000	0.9666	0.7124	1
2130	2141	-52.030	0.000	0.9801	0.7749	1
2130	2143	-62.024	0.000	0.9700	0.6869	1
2130	2144	-66.050	0.000	0.9800	0.7354	1
2130	2145	-76.031	0.000	0.9766	0.7749	1
2130	2146	-78.044	0.000	0.9619	0.6728	1
2130	2150	-90.051	0.000	0.9638	0.6869	1
2130	2152	-100.032	0.000	0.9793	0.7679	1
2130	2153	-102.045	0.000	0.9660	0.7354	1
2130	2154	-104.060	0.000	0.9640	0.6939	1
2130	2156	-128.062	0.000	0.9698	0.6939	1
2130	2158	-152.062	0.000	0.9653	0.6869	1
2132	2133	-1.003	0.000	0.9594	0.7510	1
2132	2136	-14.025	0.000	0.9568	0.6661	1
2132	2140	-26.011	0.000	0.9623	0.6113	1
2132	2141	-28.028	0.000	0.9783	0.7482	1
2132	2144	-42.048	0.000	0.9739	0.7327	1
2132	2145	-52.029	0.000	0.9786	0.6998	1
2132	2146	-54.042	0.000	0.9621	0.6536	1
2132	2150	-66.049	0.000	0.9510	0.6757	1
2132	2152	-76.030	0.000	0.9758	0.6568	1
2132	2153	-78.043	0.000	0.9580	0.6426	1
2133	2140	-25.008	0.000	0.9772	0.6526	1
2133	2141	-27.025	0.000	0.9805	0.7548	1
2133	2143	-37.019	0.000	0.9744	0.6865	1
2133	2145	-51.026	0.000	0.9759	0.7092	1
2133	2146	-53.039	0.000	0.9812	0.7121	1
2136	2140	-11.986	0.000	0.9490	0.6357	1
2136	2141	-14.003	0.000	0.9616	0.7196	1
2136	2143	-23.997	0.000	0.9695	0.6947	1
2136	2144	-28.023	0.000	0.9743	0.7196	1
2136	2145	-38.004	0.000	0.9588	0.7196	1
2136	2146	-40.017	0.000	0.9508	0.6357	1
2136	2150	-52.024	0.000	0.9599	0.6947	1
2136	2152	-62.005	0.000	0.9686	0.7196	1
2136	2153	-64.018	0.000	0.9594	0.7196	1
2136	2154	-66.033	0.000	0.9577	0.6947	1
2136	2155	-88.016	0.000	0.9544	0.6853	1
2136	2156	-90.035	0.000	0.9673	0.6947	1
2136	2158	-114.035	0.000	0.9616	0.6947	1
2139	2145	-28.031	0.000	0.9571	0.6954	1
2140	2141	-2.017	0.000	0.9899	0.8138	1
2140	2143	-12.011	0.000	0.9595	0.6459	1
2140	2144	-16.037	0.000	0.9748	0.7051	1
2140	2145	-26.018	0.000	0.9841	0.7802	1
2140	2146	-28.031	0.000	0.9855	0.7810	1
2140	2150	-40.038	0.000	0.9514	0.6464	1
2140	2152	-50.019	0.000	0.9739	0.7474	1
2140	2153	-52.032	0.000	0.9818	0.7602	1
2140	2154	-54.047	0.000	0.9748	0.7363	1
2140	2155	-76.030	0.000	0.9573	0.6677	1
2140	2156	-78.049	0.000	0.9656	0.6667	1
2141	2143	-9.994	0.000	0.9747	0.7566	1
2141	2144	-14.020	0.000	0.9841	0.7978	1
2141	2145	-24.001	0.000	0.9924	0.8511	1
2141	2146	-26.014	0.000	0.9918	0.8750	1
2141	2149	-36.006	0.000	0.9431	0.7057	1
2141	2150	-38.021	0.000	0.9608	0.7381	1
2141	2152	-48.002	0.000	0.9836	0.7824	1
2141	2153	-50.015	0.000	0.9878	0.8448	1
2141	2154	-52.030	0.000	0.9959	0.8998	1
2141	2155	-74.013	0.000	0.9606	0.6677	1
2141	2156	-76.032	0.000	0.9869	0.8301	1
2141	2158	-100.032	0.000	0.9677	0.7016	1
2143	2145	-14.007	0.000	0.9737	0.7590	1
2143	2146	-16.020	0.000	0.9677	0.7036	1
2143	2147	-24.004	0.000	0.9629	0.7207	1
2143	2148	-25.001	0.000	0.9526	0.7190	1
2143	2149	-26.012	0.000	0.9608	0.7190	1
2143	2152	-38.008	0.000	0.9774	0.7316	1
2143	2153	-40.021	0.000	0.9791	0.7667	1
2143	2154	-42.036	0.000	0.9769	0.7566	1
2143	2155	-64.019	0.000	0.9652	0.6853	1
2143	2156	-66.038	0.000	0.9806	0.7566	1
2143	2158	-90.038	0.000	0.9733	0.7016	1
2144	2145	-9.981	0.000	0.9795	0.7679	1
2144	2146	-11.994	0.000	0.9806	0.7630	1
2144	2150	-24.001	0.000	0.9783	0.7381	1
2144	2152	-33.982	0.000	0.9722	0.6991	1
2144	2153	-35.995	0.000	0.9840	0.7716	1
2144	2154	-38.010	0.000	0.9823	0.7766	1
2144	2156	-62.012	0.000	0.9853	0.7842	1
2145	2146	-2.013	0.000	0.9865	0.8662	1
2145	2147	-9.997	0.000	0.9525	0.7034	1
2145	2148	-10.994	0.000	0.9398	0.6830	1
2145	2149	-12.005	0.000	0.9443	0.6830	1
2145	2152	-24.001	0.000	0.9923	0.8810	1
2145	2153	-26.014	0.000	0.9906	0.8743	1
2145	2154	-28.029	0.000	0.9905	0.8454	1
2145	2155	-50.012	0.000	0.9669	0.7332	1
2145	2156	-52.031	0.000	0.9863	0.8369	1
2145	2158	-76.031	0.000	0.9823	0.7749	1
2146	2152	-21.988	0.000	0.9721	0.7583	1
2146	2153	-24.001	0.000	0.9886	0.8205	1
2146	2154	-26.016	0.000	0.9919	0.8538	1
2146	2155	-47.999	0.000	0.9652	0.6965	1
2146	2156	-50.018	0.000	0.9836	0.8246	1
2146	2158	-74.018	0.000	0.9717	0.7366	1
2147	2152	-14.004	0.000	0.9601	0.7059	1
2147	2153	-16.017	0.000	0.9609	0.7146	1
2148	2149	-1.011	0.000	0.9471	0.7383	1
2148	2152	-13.007	0.000	0.9461	0.6893	1
2148	2153	-15.020	0.000	0.9533	0.7042	1
2149	2152	-11.996	0.000	0.9514	0.6849	1
2149	2153	-14.009	0.000	0.9592	0.7042	1
2150	2153	-11.994	0.000	0.9663	0.7185	1
2150	2154	-14.009	0.000	0.9646	0.7185	1
2150	2156	-38.011	0.000	0.9698	0.7185	1
2152	2153	-2.013	0.000	0.9832	0.8459	1
2152	2154	-4.028	0.000	0.9763	0.7570	1
2152	2155	-26.011	0.000	0.9671	0.7332	1
2152	2156	-28.030	0.000	0.9876	0.8081	1
2152	2158	-52.030	0.000	0.9822	0.7700	1
2153	2154	-2.015	0.000	0.9910	0.8046	1
2153	2155	-23.998	0.000	0.9655	0.6774	1
2153	2156	-26.017	0.000	0.9870	0.8083	1
2153	2158	-50.017	0.000	0.9771	0.7366	1
2154	2155	-21.983	0.000	0.9684	0.6965	1
2154	2156	-24.002	0.000	0.9903	0.8388	1
2154	2158	-48.002	0.000	0.9849	0.7864	1
2155	2156	-2.019	0.000	0.9668	0.6965	1
2155	2158	-26.019	0.000	0.9727	0.7332	1
2156	2158	-24.000	0.000	0.9866	0.7852	1
                                                                                                                                                                                                                                                                                                                                                                                                                                           nf_output/summaryresult.tsv                                                                         0000644 0000000 0000000 00000000162 14572074170 015277  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   Filename	Vendor	Model	MS1s	MS2s
Prod4_s_erythr_EE_YMG_1week.mzML	Thermo Fisher Scientific	Q Exactive HF	2920	4793
                                                                                                                                                                                                                                                                                                                                                                                                              nf_output/library_intermediate/                                                                     0000755 0000000 0000000 00000000000 14572074576 016016  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/library_intermediate/merged_results.tsv                                                   0000644 0000000 0000000 00000026374 14572074576 021614  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   #Scan#	SpectrumFile	Annotation	OrigAnnotation	Protein	dbIndex	numMods	matchOrientation	startMass	Charge	MQScore	p-value	isDecoy	StrictEnvelopeScore	UnstrictEvelopeScore	CompoundName	Organism	FileScanUniqueID	FDR	LibraryName	mzErrorPPM	LibMetaData	Smiles	Inchi	LibSearchSharedPeaks	Abundance	ParentMassDiff	SpecMZ	ExactMass	LibrarySpectrumID
227	specs_ms.mgf	*..*		:698	1144	-1	0	252.109	1	0.979457	0	0	560869000.0	1982.01	2'-deoxyadenosine CollisionEnergy:102040 M+H	BERKELEY-LAB	temp/specs_ms.mgf227	-1	BERKELEY-LAB.mgf	0.0				6	0	0.0	252.109	0	CCMSLIB00010103132
647	specs_ms.mgf	*..*		:4445	5427	-1	0	339.29	1	0.977828	0	0	3002450.0	1987.02	Spectral Match to Monoelaidin from NIST14 M+H-H2O	GNPS-NIST14-MATCHES	temp/specs_ms.mgf647	-1	GNPS-NIST14-MATCHES.mgf	2.9682				11	0	0.00100708	339.289	0	CCMSLIB00003139914
1795	specs_ms.mgf	*..*		:2483	2100	-1	0	732.553	1	0.976271	0	0	127845000.0	11964.7	Spectral Match to 1-(9Z-Octadecenoyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1795	-1	GNPS-NIST14-MATCHES.mgf	0.0				8	0	0.0	732.553	0	CCMSLIB00003136587
1863	specs_ms.mgf	*..*		:8175	958	-1	0	786.597	1	0.972342	0	0	1662550.0	53975.5	Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1863	-1	GNPS-NIST14-MATCHES.mgf	3.8021				6	0	0.00299072	786.6	0	CCMSLIB00003135444
246	specs_ms.mgf	*..*		:4371	2613	-1	0	256.263	1	0.971838	0	0	2967350.0	1992.1	Spectral Match to Palmitamide from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf246	-1	GNPS-NIST14-MATCHES.mgf	0.0				10	0	0.0	256.263	0	CCMSLIB00003137100
1831	specs_ms.mgf	*..*		:1742	5663	-1	0	758.567	1	0.971015	0	0	1093110.0	54983.6	Spectral Match to 1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1831	-1	GNPS-NIST14-MATCHES.mgf	3.9426				6	0	0.00299072	758.57	0	CCMSLIB00003140150
1813	specs_ms.mgf	*..*		:2572	3351	-1	0	746.574	1	0.970896	0	0	2883830.0	6944.59	Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1813	-1	GNPS-NIST14-MATCHES.mgf	8.01186				7	0	0.00598145	746.568	0	CCMSLIB00003137838
1844	specs_ms.mgf	*..*		:2501	85	-1	0	772.586	1	0.967694	0	0	12134500.0	42902.5	Spectral Match to 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1844	-1	GNPS-NIST14-MATCHES.mgf	3.87105				7	0	0.00299072	772.583	0	CCMSLIB00003134571
1814	specs_ms.mgf	*..*		:2431	285	-1	0	746.588	1	0.963442	0	0	1918220.0	17901.9	Spectral Match to 1-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1814	-1	GNPS-NIST14-MATCHES.mgf	25.4249				6	0	0.0189819	746.607	0	CCMSLIB00003134771
1797	specs_ms.mgf	*..*		:2493	1621	-1	0	734.568	1	0.963007	0	0	50631400.0	30840.2	Spectral Match to 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1797	-1	GNPS-NIST14-MATCHES.mgf	1.32944				7	0	0.000976562	734.569	0	CCMSLIB00003136108
1887	specs_ms.mgf	*..*		:2461	3720	-1	0	810.6	1	0.959301	0	0	16863600.0	42883.3	Spectral Match to 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1887	-1	GNPS-NIST14-MATCHES.mgf	0.0				10	0	0.0	810.6	0	CCMSLIB00003138207
1313	specs_ms.mgf	*..*		:3607	4039	-1	0	522.36	1	0.949017	0	0	1708930.0	2000.0	Spectral Match to 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1313	-1	GNPS-NIST14-MATCHES.mgf	9.58129				7	0	0.00500488	522.355	0	CCMSLIB00003138526
1861	specs_ms.mgf	*..*		:2601	4465	-1	0	782.568	1	0.948579	0	0	10148400.0	32982.2	Spectral Match to 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine from NIST14 M+Na	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1861	-1	GNPS-NIST14-MATCHES.mgf	2.57378				9	0	0.00201416	782.57	0	CCMSLIB00003138952
194	specs_ms.mgf	*..*		:4012	3262	-1	0	245.129	1	0.930114	0	0	486541.0	2936.84	Spectral Match to Phe-Pro from NIST14 M+H-H2O	GNPS-NIST14-MATCHES	temp/specs_ms.mgf194	-1	GNPS-NIST14-MATCHES.mgf	0.0				6	0	0.0	245.129	0	CCMSLIB00003137749
1192	specs_ms.mgf	*..*		:4613	3668	-1	0	482.321	1	0.929561	0	0	389907.0	1987.37	Spectral Match to 1-Pentadecanoyl-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1192	-1	GNPS-NIST14-MATCHES.mgf	6.20069				8	0	0.00299072	482.324	0	CCMSLIB00003138155
389	specs_ms.mgf	*..*		:4719	5011	-1	0	284.3	1	0.925303	0	0	6162870.0	2804.86	Spectral Match to Octadecanamide from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf389	-1	GNPS-NIST14-MATCHES.mgf	17.4969				7	0	0.00497437	284.295	0	CCMSLIB00003139498
243	specs_ms.mgf	*..*		:3908	2039	-1	0	255.232	1	0.915859	0	0	677884.0	1828.78	Spectral Match to cis-9-Hexadecenoic acid from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf243	-1	GNPS-NIST14-MATCHES.mgf	0.0				9	0	0.0	255.232	0	CCMSLIB00003136526
786	specs_ms.mgf	*..*		:406	130	-1	0	371.1	1	0.908153	0	0	2493310.0	12763.2	CAMPTOTHECIN M+Na	LEAFBOT	temp/specs_ms.mgf786	-1	LEAFBOT.mgf	2.71377				6	0	0.00100708	371.101	0	CCMSLIB00011427902
1820	specs_ms.mgf	*..*		:2623	2623	-1	0	748.484	1	0.907132	0	0	1094960.0	2982.25	Massbank:EA019109 Clarithromycin|6-O-Methylerythromycin|(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl- [M+H]+	MASSBANK	temp/specs_ms.mgf1820	-1	MASSBANK.mgf	1.30472				6	0	0.000976562	748.485	0	CCMSLIB00000207364
1888	specs_ms.mgf	*..*		:15777	15777	-1	0	812.617	1	0.898718	0	0	2278380.0	10947.9	PC(18:0/20:3); [M+H]+ C46H87N1O8P1 M+H	PNNL-LIPIDS-POSITIVE	temp/specs_ms.mgf1888	-1	PNNL-LIPIDS-POSITIVE.mgf	2.47861				6	0	0.00201416	812.615	0	CCMSLIB00010085793
1319	specs_ms.mgf	*..*		:3997	4588	-1	0	524.367	1	0.896324	0	0	2611660.0	6722.38	Spectral Match to 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1319	-1	GNPS-NIST14-MATCHES.mgf	7.56586				8	0	0.00396729	524.371	0	CCMSLIB00003139075
1835	specs_ms.mgf	*..*		:15155	15155	-1	0	762.601	1	0.889384	0	0	1543940.0	1998.16	PC(16:0/18:0); [M+H]+ C42H85N1O8P1 M+H	PNNL-LIPIDS-POSITIVE	temp/specs_ms.mgf1835	-1	PNNL-LIPIDS-POSITIVE.mgf	7.92352				7	0	0.00604248	762.595	0	CCMSLIB00010084506
1912	specs_ms.mgf	*..*		:23159	23159	-1	0	834.601	1	0.884351	0	0	6147950.0	46888.8	PC(18:0/22:6); [M+H]+ C48H85N1O8P1 M+H	PNNL-LIPIDS-POSITIVE	temp/specs_ms.mgf1912	-1	PNNL-LIPIDS-POSITIVE.mgf	0.0				7	0	0.0	834.601	0	CCMSLIB00010094563
1796	specs_ms.mgf	*..*		:2680	2680	-1	0	734.469	1	0.88187	0	0	78573300.0	6895.62	(-)-Erythromycin - 40.0 eV M+H	BIRMINGHAM-UHPLC-MS-POS	temp/specs_ms.mgf1796	-1	BIRMINGHAM-UHPLC-MS-POS.mgf	1.32962				7	0	0.000976562	734.468	0	CCMSLIB00006117162
1878	specs_ms.mgf	*..*		:19573	19573	-1	0	800.617	1	0.879997	0	0	12164200.0	42940.9	PC(18:2/19:0); [M+H]+ C45H87N1O8P1 M+H	PNNL-LIPIDS-POSITIVE	temp/specs_ms.mgf1878	-1	PNNL-LIPIDS-POSITIVE.mgf	2.51576				6	0	0.00201416	800.615	0	CCMSLIB00010090977
1875	specs_ms.mgf	*..*		:5825	5825	-1	0	796.586	1	0.878044	0	0	6292180.0	23930.0	PC(17:0/20:4); [M+H]+ C45H83N1O8P1 M+H	PNNL-LIPIDS-POSITIVE	temp/specs_ms.mgf1875	-1	PNNL-LIPIDS-POSITIVE.mgf	0.0				6	0	0.0	796.586	0	CCMSLIB00010064819
355	specs_ms.mgf	*..*		:2044	2536	-1	0	277.216	1	0.866895	0	0	156922.0	1782.05	Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14 M+H-H2O	GNPS-NIST14-MATCHES	temp/specs_ms.mgf355	-1	GNPS-NIST14-MATCHES.mgf	0.0				7	0	0.0	277.216	0	CCMSLIB00003137023
182	specs_ms.mgf	*..*		:11	11	-1	0	243.232	1	0.86015	0	0	6775.0	5591.72	pentadecanoic acid [M+H]+	GNPS-SCIEX-LIBRARY	temp/specs_ms.mgf182	-1	GNPS-SCIEX-LIBRARY.mgf	0.0				6	0	0.0	243.232	0	CCMSLIB00006581635
43	specs_ms.mgf	*..*		:13533	25532	-1	0	211.144	1	0.852844	0	0	3560.0	10358.7	Massbank:PR311142 Cyclo(leucylprolyl) M+H	MASSBANK	temp/specs_ms.mgf43	-1	MASSBANK.mgf	9.46701				6	0	0.0019989	211.142	0	CCMSLIB00005739084
51	specs_ms.mgf	*..*		:679	1433	-1	0	214.09	1	0.852799	0	0	160118000.0	12967.9	MassbankEU:SM878901 N-Butylbenzenesulfonamide [M+H]+	MASSBANKEU	temp/specs_ms.mgf51	-1	MASSBANKEU.mgf	0.0				7	0	0.0	214.09	0	CCMSLIB00000842040
1776	specs_ms.mgf	*..*		:1754	2802	-1	0	716.459	1	0.849976	0	0	6742860.0	9941.94	Spectral Match to Erythromycin from NIST14 M+H-H2O	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1776	-1	GNPS-NIST14-MATCHES.mgf	1.36304				13	0	0.000976562	716.458	0	CCMSLIB00003137289
1439	specs_ms.mgf	*..*		:2578	3297	-1	0	563.552	1	0.844297	0	0	5172120.0	1956.06	Spectral Match to 9-Octadecenamide, (Z)- from NIST14 2M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1439	-1	GNPS-NIST14-MATCHES.mgf	1.73287				11	0	0.000976562	563.551	0	CCMSLIB00003137784
643	specs_ms.mgf	*..*		:10634	25	-1	0	338.341	1	0.828902	0	0	803472.0	1896.89	Spectral Match to 13-Docosenamide, (Z)- from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf643	-1	GNPS-NIST14-MATCHES.mgf	2.97652				6	0	0.00100708	338.342	0	CCMSLIB00003134511
284	specs_ms.mgf	*..*		:4218	5408	-1	0	265.252	1	0.815455	0	0	1406980.0	4790.69	Spectral Match to 9-Octadecenamide, (Z)- from NIST14 M+H-NH3	GNPS-NIST14-MATCHES	temp/specs_ms.mgf284	-1	GNPS-NIST14-MATCHES.mgf	0.0				8	0	0.0	265.252	0	CCMSLIB00003139895
25	specs_ms.mgf	*..*		:2453	2707	-1	0	205.195	1	0.812919	0	0	39716.9	3187.69	Spectral Match to cis-7,10,13,16-Docosatetraenoic acid from NIST14 205.2	GNPS-NIST14-MATCHES	temp/specs_ms.mgf25	-1	GNPS-NIST14-MATCHES.mgf	0.0				6	0	0.0	205.195	0	CCMSLIB00003137194
376	specs_ms.mgf	*..*		:8245	31	-1	0	282.279	1	0.79133	0	0	606694.0	8380.0	Spectral Match to 9-Octadecenamide, (Z)- from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf376	-1	GNPS-NIST14-MATCHES.mgf	0.0				7	0	0.0	282.279	0	CCMSLIB00003134517
1357	specs_ms.mgf	*..*		:1948	4809	-1	0	536.165	1	0.763425	0	0	422790.0	12262.4	Contaminants septum vial Thermo C4000-53 and C4000-54 serie M+H	GNPS-LIBRARY	temp/specs_ms.mgf1357	-1	GNPS-LIBRARY.mgf	1.93522				6	0	0.0010376	536.166	0	CCMSLIB00005436264
17	specs_ms.mgf	*..*		:2446	7522	-1	0	203.179	1	0.757302	0	0	5870340.0	2444.21	1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-ol M-H2O+H	GNPS-LIBRARY	temp/specs_ms.mgf17	-1	GNPS-LIBRARY.mgf	0.0				6	0	0.0	203.179	0	CCMSLIB00005725033
1839	specs_ms.mgf	*..*		:17251	17251	-1	0	768.554	1	0.747798	0	0	929144.0	26119.1	PE(18:0/20:4); [M+H]+ C43H79N1O8P1 M+H	PNNL-LIPIDS-POSITIVE	temp/specs_ms.mgf1839	-1	PNNL-LIPIDS-POSITIVE.mgf	6.51208				9	0	0.00500488	768.549	0	CCMSLIB00010088655
1265	specs_ms.mgf	*..*		:3876	283	-1	0	510.356	1	0.726763	0	0	1629340.0	9721.71	Spectral Match to 1-Heptadecanoyl-sn-glycero-3-phosphocholine from NIST14 M+H	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1265	-1	GNPS-NIST14-MATCHES.mgf	0.0				9	0	0.0	510.356	0	CCMSLIB00003134769
364	specs_ms.mgf	*..*		:2297	6919	-1	0	279.233	1	0.724453	0	0	225900.0	2579.91	NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585] [M-2H2O+H]+	GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE	temp/specs_ms.mgf364	-1	GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf	3.60659				7	0	0.00100708	279.232	0	CCMSLIB00005722215
1830	specs_ms.mgf	*..*		:901	922	-1	0	756.553	1	0.709311	0	0	287491.0	1967.28	Spectral Match to 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine from NIST14 M+Na	GNPS-NIST14-MATCHES	temp/specs_ms.mgf1830	-1	GNPS-NIST14-MATCHES.mgf	0.0				7	0	0.0	756.553	0	CCMSLIB00003135408
                                                                                                                                                                                                                                                                    nf_output/metadata/                                                                                 0000755 0000000 0000000 00000000000 14572074165 013372  5                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nf_output/metadata/merged_metadata.tsv                                                              0000644 0000000 0000000 00000000001 14572074165 017222  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                               nf_resume_cmd.sh                                                                                    0000644 0000000 0000000 00000001173 14572074155 012732  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   nextflow run /app/workflows_user/classical_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_parameters.yaml -w /data/nf_data/server/nf_work/0df811f274154242a7b349ac5e8d4b91 -with-report /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_report.html -with-timeline /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/0df811f274154242a7b349ac5e8d4b91/job_dag.html -resume -with-weblog http://localhost:4000/nf_weblog/0df811f274154242a7b349ac5e8d4b91 -c /app/launchserver/nextflow.config                                                                                                                                                                                                                                                                                                                                                                                                     submission_parameters.yaml                                                                          0000644 0000000 0000000 00000001567 14572074155 015101  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   create_time: 2024-03-06 06:07:21 PST-0800
description: Prod_4
fragment_tolerance: '0.02'
input_libraries: LIBRARYLOCATION/LC/LIBRARY
input_spectra: USERUPLOAD/CGeibel/Producer and Control sheets spotter/Prod4_s_erythr_EE_YMG_1week.mzML
library_analog_search: '0'
library_min_cosine: '0.7'
library_min_matched_peaks: '6'
library_topk: '1'
massql_filter: None
metadata_filename: ''
metadata_per_file_grouping: 'No'
min_cluster_size: '2'
min_peak_intensity: '0.0'
networking_max_shift: '1999'
networking_min_cosine: '0.7'
networking_min_matched_peaks: '6'
pm_tolerance: '0.02'
precursor_filter: 'yes'
redu_metadata_integration: 'No'
task: 0df811f274154242a7b349ac5e8d4b91
topology: classic
topology_cliquemincosine: '0.7'
topology_maxcomponent: '100'
topology_topk: '10'
usi: ''
window_filter: 'yes'
workflow_version: SERVER:0.1.2;WORKFLOW:0.5.8
workflowname: classical_networking_workflow
                                                                                                                                         workflowdisplay.yaml                                                                                0000644 0000000 0000000 00000026102 14572074155 013713  0                                                                                                    ustar   root                            root                                                                                                                                                                                                                   name: classical_networking_workflow
displayname: STUFF
Views:
-   name: Files Summary
    displayname: Files Summary
    viewname: filesummary
    displaytype: datatable
    parameters:
        filename: nf_output/summaryresult.tsv
        columns:
            -   title: "Visualize"
                data: 
            -   title: "Filename"
                data: "Filename"
            -   title: "Vendor"
                data: "Vendor"
            -   title: "Model"
                data: "Model"
            -   title: "MS1s"
                data: "MS1s"
            -   title: "MS2s"
                data: "MS2s"
        columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) {
        return `
            View LCMS Run 
        `;}}]'
-   name: Cluster Summary
    displayname: Cluster Summary
    viewname: clustersummary
    displaytype: datatable_serverbig
    parameters:
        filename: nf_output/networking/clustersummary_with_network.tsv
        columns:
            -   title: "View"
                data: 
            -   title: "Cluster"
                data: "cluster index"
            -   title: "Parent mass"
                data: "parent mass"
            -   title: "# spectra"
                data: "number of spectra"
            -   title: "precursor charge"
                data: "precursor charge"
            -   title: "RTMean (Min)"
                data: "RTMean"
            -   title: "sum(precursor intensity)"
                data: "sum(precursor intensity)"
        columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) {
        var filterdict = {
            type: "select",
            param: row["cluster index"],
            column: "#ClusterIdx"
        };
        return `
            View Spectrum 
            View Raw Spectra in Cluster 
        `;}}]'
-   name: Library Match Results
    displayname: Library Match Results
    viewname: librarymatches
    displaytype: datatable #datatable
    parameters:
        filename: nf_output/library/merged_results_with_gnps.tsv
        columns:
            -   title: "View"
                data: 
            -   title: "#Scan#"
                data: "#Scan#"
            -   title: "Compound_Name"
                data: "Compound_Name"
            -   title: "Ion"
                data: Ion_Source
            -   title: "Precursor m/z"
                data: SpecMZ
            -   title: "Cosine"
                data: MQScore
            -   title: "Shared Peaks"
                data: SharedPeaks
            -   title: "MassDiff"
                data: MassDiff
            -   title: "Adduct"
                data: Adduct
            -   title: "SpectrumID"
                data: SpectrumID
            -   title: "Smiles"
                data: Smiles    
        columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) {
        return `
            View Mirror 
        `;}},
        {"targets": 10,"data": null,"render": function ( data, type, row, meta ) {
        return `
            View Component 
        `;}},]'
-   name: Raw Spectra List
    displayname: Raw Spectra List
    viewname: rawspectra
    displaytype: datatable_serverbig
    parameters:
        filename: nf_output/clustering/clusterinfo.tsv
        columns:
            -   title: "View"
                data: 
            -   title: "Cluster"
                data: "#ClusterIdx"
            -   title: "Filename"
                data: "#Filename"
            -   title: "Scan"
                data: "#Scan"
            -   title: "Parent Mass"
                data: "#ParentMass"
            -   title: "Charge"
                data: "#Charge"
            -   title: "RT"
                data: "#RetTime"
            -   title: "PrecIntensity"
                data: "#PrecIntensity"
        columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) {
        return `
            View Original Spectrum 
            View Mirror 
            View LCMS Run 
        `;}}]'
-   name: Network Pairs List
    displayname: Network Pairs List
    viewname: pairslist
    displaytype: datatable_serverbig
    parameters:
        filename: nf_output/networking/pairs_with_components.tsv
        columns:
            -   title: "View"
                data: 
            -   title: "CLUSTERID1"
                data: CLUSTERID1
            -   title: "CLUSTERID2"
                data: CLUSTERID2
            -   title: "DeltaMZ"
                data: DeltaMZ
            -   title: "Cosine"
                data: Cosine
            -   title: "MatchedPeaks"
                data: MatchedPeaks
            -   title: "ComponentIndex"
                data: ComponentIndex
        columnDefs: '[ {"targets": 0,"data": null,"render": function ( data, type, row, meta ) {
        return `
            View Mirror 
        `;}}]'
                
-   name: section
    displayname: Network Visualizations
    viewname: section
    displaytype: section
-   name: Visualize Network in Browser
    displayname: Visualize Full Network in Browser
    viewname: visualizefullnetwork
    displaytype: linkout
    parameters:
        baseurl: /dashboards/networkviewer
        urlparam:
            -   usi:mzdata:OMETATASK-[task]:nf_output/networking/network.graphml
            -   usi-mgf:mzdata:OMETATASK-[task]:nf_output/clustering/specs_ms.mgf
-   name: Visualize Network w/ Singletons in Browser
    displayname: Visualize Full Network w/ Singletons in Browser
    viewname: visualizefullsingletonnetwork
    displaytype: linkout
    parameters:
        baseurl: /dashboards/networkviewer
        urlparam:
            -   usi:mzdata:OMETATASK-[task]:nf_output/networking/network_singletons.graphml
            -   usi-mgf:mzdata:OMETATASK-[task]:nf_output/clustering/specs_ms.mgf
-   name: Export Network in Cytoscape
    displayname: Export Network in Cytoscape
    viewname: visualizecytoscape
    displaytype: linkout
    parameters:
        baseurl: https://cytoscape.gnps2.org/process
        urlparam:
            -   task:[task]
-   name: Export Network in Cytoscape with Singletons
    displayname: Export Network in Cytoscape with Singletons
    viewname: visualizecytoscapesingleton
    displaytype: linkout
    parameters:
        baseurl: https://cytoscape.gnps2.org/process
        urlparam:
            -   task:[task]
            -   override_path:nf_output/networking/network_singletons.graphml
-   name: section
    displayname: Downstream Analysis
    viewname: section
    displaytype: section
-   name: Downstream Analysis - Run Transitive Alignments
    displayname: Downstream Analysis - Run Transitive Alignments
    viewname: downstreamtransitive
    displaytype: linkout
    parameters:
        baseurl: /workflowinput
        urlparam:
            -   workflowname:Transitive_alignment_workflow
        hashparam:
            -   input_graphml:TASKLOCATION/[task]/nf_output/networking/network_singletons.graphml
            -   input_pairs:TASKLOCATION/[task]/nf_output/networking/merged_pairs.tsv
            -   input_spectra:TASKLOCATION/[task]/nf_output/clustering/specs_ms.mgf
            -   description:Downstream from [task] Classical Molecular Networking
-   name: Downstream Analysis - Overlay Custom Network
    displayname: Downstream Analysis - Overlay Custom Network
    viewname: downstreamoverlay
    displaytype: linkout
    parameters:
        baseurl: /workflowinput
        urlparam:
            -   workflowname:gnps2_network_overlay_workflow
        hashparam:
            -   input_graphml:TASKLOCATION/[task]/nf_output/networking/network_singletons.graphml
            -   input_mgf:TASKLOCATION/[task]/nf_output/clustering/specs_ms.mgf
            -   description:Downstream from [task] Classical Molecular Networking
-   name: section
    displayname: Download Network Files
    viewname: section
    displaytype: section
-   name: Download Network GraphML
    displayname: Download Network GraphML
    viewname: graphml
    displaytype: download
    parameters:
        filename: nf_output/networking/network.graphml
-   name: Download Network with Singletons GraphML
    displayname: Download Network with Singletons GraphML
    viewname: graphmlsingletons
    displaytype: download
    parameters:
        filename: nf_output/networking/network_singletons.graphml
-   name: Download Consensus MS/MS MGF
    displayname: Download Consensus MS/MS MGF
    viewname: specms
    displaytype: download
    parameters:
        filename: nf_output/clustering/specs_ms.mgf
-   name: Download Merged Metadata File
    displayname: Download Merged Metadata File
    viewname: metadatadownload
    displaytype: download
    parameters:
        filename: nf_output/metadata/merged_metadata.tsv