flow_filelinking.yaml 0000644 0000000 0000000 00000015634 14745575354 014016 0 ustar root root - parameter: inputfeatures
target: inputfeatures/250127_stability_iimn_gnps_quant.csv
- parameter: inputspectra
target: inputspectra/250127_stability_iimn_gnps.mgf
- parameter: metadata_filename
target: metadata_filename/Metadata_KF1601_Stability.txt
- 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/MSNLIB-POSITIVE.mgf
- parameter: input_libraries
target: input_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.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/MSNLIB-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/MCE-DRUG.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/CMMC-FOOD-BIOMARKERS.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/ECRFS_DB.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-N-ACYL-LIPIDS-MASSQL.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/DMIM-DRUG-METABOLITE-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/CMMC-REFRAME-POSITIVE-LIBRARY.mgf
- parameter: input_libraries
target: input_libraries/PHENOLICSDB.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/ELIXDB-LICHEN-DATABASE.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
- parameter: input_supplemental_edges
target: input_supplemental_edges/250127_stability_iimn_gnps_edges_msannotation.csv
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_control_01.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_120min_01.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_120min_02.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_120min_03.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_240min_01.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_240min_02.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_240min_03.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_30min_01.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_30min_02.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_30min_03.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_60min_01.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_60min_02.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_60min_03.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_0min_01.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_0min_02.mzXML
- parameter: input_raw_spectra
target: input_raw_spectra/a250126_stability_HLM_0min_03.mzXML
input_libraries/ 0000755 0000000 0000000 00000000000 14745575354 012772 5 ustar root root input_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 035620 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgf ustar root root input_libraries/UM-NPDC.mgf 0000777 0000000 0000000 00000000000 14745575354 027702 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgf ustar root root input_libraries/GNPS-FAULKNERLEGACY.mgf 0000777 0000000 0000000 00000000000 14745575354 033276 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgf ustar root root input_libraries/GNPS-COLLECTIONS-MISC.mgf 0000777 0000000 0000000 00000000000 14745575354 033724 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgf ustar root root input_libraries/GNPS-NIST14-MATCHES.mgf 0000777 0000000 0000000 00000000000 14745575354 033116 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgf ustar root root input_libraries/MMV_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 031536 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgf ustar root root input_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 036074 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-LIBRARY.mgf ustar root root input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 036562 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf ustar root root input_libraries/PNNL-LIPIDS-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 033456 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgf ustar root root input_libraries/ECRFS_DB.mgf 0000777 0000000 0000000 00000000000 14745575354 030212 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECRFS_DB.mgf ustar root root input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf 0000777 0000000 0000000 00000000000 14745575354 034576 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgf ustar root root input_libraries/GNPS-MSMLS.mgf 0000777 0000000 0000000 00000000000 14745575354 030674 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.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 14745575354 042156 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.ustar root root input_libraries/MSNLIB-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 032144 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgf ustar root root input_libraries/CASMI.mgf 0000777 0000000 0000000 00000000000 14745575354 027264 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgf ustar root root input_libraries/GNPS-SCIEX-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 033040 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgf ustar root root input_libraries/MMV_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 031436 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgf ustar root root input_libraries/PHENOLICSDB.mgf 0000777 0000000 0000000 00000000000 14745575354 031060 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgf ustar root root input_libraries/ELIXDB-LICHEN-DATABASE.mgf 0000777 0000000 0000000 00000000000 14745575354 033716 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgf ustar root root input_libraries/BILELIB19.mgf 0000777 0000000 0000000 00000000000 14745575354 030224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgf ustar root root input_libraries/SUMNER.mgf 0000777 0000000 0000000 00000000000 14745575354 027616 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgf ustar root root input_libraries/MIADB.mgf 0000777 0000000 0000000 00000000000 14745575354 027224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgf ustar root root input_libraries/PNNL-LIPIDS-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 033556 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgf ustar root root input_libraries/XANTHONES-DB.mgf 0000777 0000000 0000000 00000000000 14745575354 031260 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf 0000777 0000000 0000000 00000000000 14745575354 035564 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgf ustar root root input_libraries/CMMC-FOOD-BIOMARKERS.mgf 0000777 0000000 0000000 00000000000 14745575354 033374 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-FOOD-BIOMARKERS.mgf ustar root root input_libraries/PSU-MSMLS.mgf 0000777 0000000 0000000 00000000000 14745575354 030474 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgf ustar root root input_libraries/HMDB.mgf 0000777 0000000 0000000 00000000000 14745575354 027020 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf 0000777 0000000 0000000 00000000000 14745575354 034776 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgf ustar root root input_libraries/MSNLIB-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 032244 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgf ustar root root input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 035224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.mgf ustar root root input_libraries/GNPS-IOBA-NHC.mgf 0000777 0000000 0000000 00000000000 14745575354 031346 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgf ustar root root input_libraries/GNPS-EMBL-MCF.mgf 0000777 0000000 0000000 00000000000 14745575354 031352 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgf ustar root root input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 0000777 0000000 0000000 00000000000 14745575354 040162 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf ustar root root input_libraries/GNPS-N-ACYL-LIPIDS-MASSQL.mgf 0000777 0000000 0000000 00000000000 14745575354 034714 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-N-ACYL-LIPIDS-MASSQL.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf 0000777 0000000 0000000 00000000000 14745575354 035000 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgf ustar root root input_libraries/RESPECT.mgf 0000777 0000000 0000000 00000000000 14745575354 030006 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.mgf ustar root root input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf 0000777 0000000 0000000 00000000000 14745575354 033766 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf 0000777 0000000 0000000 00000000000 14745575354 034414 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf 0000777 0000000 0000000 00000000000 14745575354 034300 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 040226 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf ustar root root input_libraries/NEO-MSMS.mgf 0000777 0000000 0000000 00000000000 14745575354 030170 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgf ustar root root input_libraries/GNPS-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 031316 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.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 14745575354 043045 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar root root input_libraries/LDB_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 031442 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgf ustar root root input_libraries/LEAFBOT.mgf 0000777 0000000 0000000 00000000000 14745575354 027724 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgf ustar root root input_libraries/BMDMS-NP.mgf 0000777 0000000 0000000 00000000000 14745575354 030126 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgf ustar root root input_libraries/MONA.mgf 0000777 0000000 0000000 00000000000 14745575354 027060 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf 0000777 0000000 0000000 00000000000 14745575354 035566 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 040126 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf ustar root root input_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 035774 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf ustar root root input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 035642 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf ustar root root input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 036774 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf ustar root root input_libraries/MCE-DRUG.mgf 0000777 0000000 0000000 00000000000 14745575354 030102 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MCE-DRUG.mgf ustar root root input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 037046 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf ustar root root input_libraries/LDB_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14745575354 031342 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf 0000777 0000000 0000000 00000000000 14745575354 034220 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf 0000777 0000000 0000000 00000000000 14745575354 034474 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgf ustar root root input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 034046 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgf ustar root root input_libraries/IQAMDB.mgf 0000777 0000000 0000000 00000000000 14745575354 027466 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgf ustar root root input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14745575354 035534 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf ustar root root input_libraries/MASSBANKEU.mgf 0000777 0000000 0000000 00000000000 14745575354 030656 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgf ustar root root input_libraries/MASSBANK.mgf 0000777 0000000 0000000 00000000000 14745575354 030172 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.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 14745575354 042745 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar root root input_libraries/BERKELEY-LAB.mgf 0000777 0000000 0000000 00000000000 14745575354 031170 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgf ustar root root input_raw_spectra/ 0000755 0000000 0000000 00000000000 14745575354 013330 5 ustar root root ././@LongLink 0000644 0000000 0000000 00000000146 00000000000 011603 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_30min_03.mzXML input_raw_spectra/a250126_stability_HLM_30min_03.mzXML 0000777 0000000 0000000 00000000000 14745575354 041750 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_30min_03.mzXMustar root root ././@LongLink 0000644 0000000 0000000 00000000146 00000000000 011603 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_60min_02.mzXML input_raw_spectra/a250126_stability_HLM_60min_02.mzXML 0000777 0000000 0000000 00000000000 14745575354 041754 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_60min_02.mzXMustar root root ././@LongLink 0000644 0000000 0000000 00000000146 00000000000 011603 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_30min_02.mzXML input_raw_spectra/a250126_stability_HLM_30min_02.mzXML 0000777 0000000 0000000 00000000000 14745575354 041746 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_30min_02.mzXMustar root root ././@LongLink 0000644 0000000 0000000 00000000146 00000000000 011603 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_60min_03.mzXML input_raw_spectra/a250126_stability_HLM_60min_03.mzXML 0000777 0000000 0000000 00000000000 14745575354 041756 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_60min_03.mzXMustar root root input_raw_spectra/a250126_stability_HLM_0min_01.mzXML 0000777 0000000 0000000 00000000000 14745575354 041712 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_0min_01.mzXMLustar root root ././@LongLink 0000644 0000000 0000000 00000000147 00000000000 011604 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_120min_01.mzXML input_raw_spectra/a250126_stability_HLM_120min_01.mzXML 0000777 0000000 0000000 00000000000 14745575354 041767 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_120min_01.mzXustar root root ././@LongLink 0000644 0000000 0000000 00000000146 00000000000 011603 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_30min_01.mzXML input_raw_spectra/a250126_stability_HLM_30min_01.mzXML 0000777 0000000 0000000 00000000000 14745575354 041744 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_30min_01.mzXMustar root root input_raw_spectra/a250126_stability_HLM_0min_02.mzXML 0000777 0000000 0000000 00000000000 14745575354 041714 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_0min_02.mzXMLustar root root ././@LongLink 0000644 0000000 0000000 00000000150 00000000000 011576 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_control_01.mzXML input_raw_spectra/a250126_stability_HLM_control_01.mzXML 0000777 0000000 0000000 00000000000 14745575354 042763 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_control_01.mzustar root root ././@LongLink 0000644 0000000 0000000 00000000147 00000000000 011604 K ustar root root 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0000000 0000000 00000000147 00000000000 011604 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_120min_03.mzXML input_raw_spectra/a250126_stability_HLM_120min_03.mzXML 0000777 0000000 0000000 00000000000 14745575354 041773 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_120min_03.mzXustar root root ././@LongLink 0000644 0000000 0000000 00000000147 00000000000 011604 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_240min_01.mzXML input_raw_spectra/a250126_stability_HLM_240min_01.mzXML 0000777 0000000 0000000 00000000000 14745575354 041775 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_240min_01.mzXustar root root ././@LongLink 0000644 0000000 0000000 00000000147 00000000000 011604 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_240min_03.mzXML input_raw_spectra/a250126_stability_HLM_240min_03.mzXML 0000777 0000000 0000000 00000000000 14745575354 042001 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_240min_03.mzXustar root root ././@LongLink 0000644 0000000 0000000 00000000147 00000000000 011604 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_240min_02.mzXML input_raw_spectra/a250126_stability_HLM_240min_02.mzXML 0000777 0000000 0000000 00000000000 14745575354 041777 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/a250126_stability_HLM_240min_02.mzXustar root root input_supplemental_edges/ 0000755 0000000 0000000 00000000000 14745575354 014676 5 ustar root root ././@LongLink 0000644 0000000 0000000 00000000163 00000000000 011602 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/250127_stability_iimn_gnps_edges_msannotation.csv input_supplemental_edges/250127_stability_iimn_gnps_edges_msannotation.csv 0000777 0000000 0000000 00000000000 14745575354 047605 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/250127_stability_iimn_gnps_edges_msustar root root inputfeatures/ 0000755 0000000 0000000 00000000000 14745575354 012475 5 ustar root root ././@LongLink 0000644 0000000 0000000 00000000146 00000000000 011603 K ustar root root /data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/250127_stability_iimn_gnps_quant.csv inputfeatures/250127_stability_iimn_gnps_quant.csv 0000777 0000000 0000000 00000000000 14745575354 042621 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/250127_stability_iimn_gnps_quant.csustar root root inputspectra/ 0000755 0000000 0000000 00000000000 14745575354 012320 5 ustar root root inputspectra/250127_stability_iimn_gnps.mgf 0000777 0000000 0000000 00000000000 14745575354 040146 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability_new/250127_stability_iimn_gnps.mgf ustar root root job_dag.html 0000644 0000000 0000000 00000022174 14745575770 012062 0 ustar root root
Nextflow Cytoscape.js with Dagre
Nextflow Cytoscape.js with Dagre
job_parameters.yaml 0000644 0000000 0000000 00000003113 14745575354 013456 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: 1489d042f3a741d598b7cef778daadac
OMETAUSER: xat007
create_time: 2025-01-26 19:20:19 PST-0800
description: KF1601_Stability_FBMN_test_re_2
featurefindingtool: MZMINE
fragment_tolerance: '0.02'
input_libraries: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/input_libraries
input_raw_spectra: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/input_raw_spectra
input_supplemental_edges: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/input_supplemental_edges
inputfeatures: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/inputfeatures/250127_stability_iimn_gnps_quant.csv
inputspectra: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/inputspectra
library_analog_max_shift: '1999'
library_analog_search: '0'
library_min_cosine: '0.7'
library_min_matched_peaks: '6'
library_topk: '1'
metadata_filename: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/metadata_filename/Metadata_KF1601_Stability.txt
networking_max_shift: '1999'
networking_min_cosine: '0.5'
networking_min_matched_peaks: '6'
normalization: None
pm_tolerance: '0.02'
precursor_filter: '1'
publishdir: /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac
task: 1489d042f3a741d598b7cef778daadac
topology_maxcomponent: '100'
topology_topk: '10'
window_filter: '1'
workflow_version: SERVER:2024.09.17;WORKFLOW:2025.01.14
workflowname: feature_based_molecular_networking_workflow
job_report.html 0000644 0000000 0000000 00013740431 14745575770 012651 0 ustar root root
[distracted_poitras] Nextflow Workflow Report
Nextflow Report
Nextflow workflow report
[distracted_poitras]
Workflow execution completed successfully!
Run times
27-Jan-2025 03:20:22 - 27-Jan-2025 03:24:47
( duration: 4m 25s )
143 succeeded
0 cached
0 ignored
0 failed
Nextflow command
nextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_parameters.yaml -w /data/nf_data/server/nf_work/1489d042f3a741d598b7cef778daadac -with-report /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_report.html -with-timeline /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/1489d042f3a741d598b7cef778daadac' -c /app/launchserver/nextflow.config
CPU-Hours
0.4
Launch directory
/data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac
Work directory
/data/nf_data/server/nf_work/1489d042f3a741d598b7cef778daadac
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
b2294b5da7da718e7287b0a5638fc910
Workflow session
8ad1bf26-2839-4162-9587-3874a46f2f43
Workflow 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 00001100043 14745575770 013126 0 ustar root root
Processes execution timeline
Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)
metadata_filename/ 0000755 0000000 0000000 00000000000 14745575354 013217 5 ustar root root metadata_filename/Metadata_KF1601_Stability.txt 0000777 0000000 0000000 00000000000 14745575354 037622 2/data/nf_data/useruploads/xat007/YJS/250125/KF1601_Stability/Metadata_KF1601_Stability.txt ustar root root nextflow_stdout.log 0000644 0000000 0000000 00000176760 14745575771 013576 0 ustar root root N E X T F L O W ~ version 21.10.0
Launching `/app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf` [distracted_poitras] - revision: b2294b5da7
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executor > local (71)
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executor > local (71)
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executor > local (71)
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executor > local (71)
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executor > local (71)
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executor > local (71)
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executor > local (88)
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executor > local (110)
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executor > local (128)
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executor > local (136)
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executor > local (138)
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executor > local (138)
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executor > local (138)
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[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
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[- ] process > filterNetwork -
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executor > local (139)
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executor > local (139)
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executor > local (139)
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executor > local (139)
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executor > local (139)
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[- ] process > enrichClusterSummary -
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executor > local (139)
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executor > local (139)
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[- ] process > enrichClusterSummary -
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executor > local (139)
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[- ] process > enrichClusterSummary -
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executor > local (139)
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[- ] process > librarygetGNPSAnnotations -
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
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executor > local (139)
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[- ] process > librarygetGNPSAnnotations -
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
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executor > local (139)
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[c7/67f948] process > librarySearchData (11) [ 63%] 41 of 65
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[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
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executor > local (139)
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[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[92/f67c9a] process > librarySearchData (58) [ 66%] 43 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[c1/e3075e] process > librarySearchData (65) [ 67%] 44 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[8b/5942c5] process > librarySearchData (41) [ 70%] 46 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[2f/1de992] process > librarySearchData (56) [ 72%] 47 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[9e/7eaeaf] process > librarySearchData (54) [ 73%] 48 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[99/f2ecfe] process > librarySearchData (45) [ 75%] 49 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[e8/4f9d4d] process > librarySearchData (36) [ 76%] 50 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[2f/bf46b2] process > librarySearchData (26) [ 78%] 51 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[28/0a6484] process > librarySearchData (29) [ 80%] 52 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[50/02fd29] process > librarySearchData (14) [ 81%] 53 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[8b/b218dd] process > librarySearchData (5) [ 83%] 54 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[94/d8210c] process > librarySearchData (63) [ 84%] 55 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/eb3e88] process > librarySearchData (48) [ 86%] 56 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[47/83a34b] process > librarySearchData (23) [ 87%] 57 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[8c/5d160a] process > librarySearchData (20) [ 89%] 58 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[72/80d6c5] process > librarySearchData (53) [ 90%] 59 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[aa/3fe518] process > librarySearchData (13) [ 92%] 60 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[62/869b80] process > librarySearchData (44) [ 93%] 61 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[7d/9b7a4c] process > librarySearchData (1) [ 95%] 62 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[2d/f6859a] process > librarySearchData (30) [ 96%] 63 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[7a/2836e7] process > librarySearchData (43) [ 98%] 64 of 65
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (139)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[- ] process > librarymergeResults -
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (140)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[ba/11eaa6] process > librarymergeResults [ 0%] 0 of 1
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[- ] process > librarygetGNPSAnnotations -
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (141)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[ba/11eaa6] process > librarymergeResults [100%] 1 of 1 ✔
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[3f/9c9d0f] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (142)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[ba/11eaa6] process > librarymergeResults [100%] 1 of 1 ✔
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[3f/9c9d0f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[c7/6dd82f] process > enrichClusterSummary (1) [ 0%] 0 of 1
[- ] process > createNetworkGraphML -
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (143)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[ba/11eaa6] process > librarymergeResults [100%] 1 of 1 ✔
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[3f/9c9d0f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[c7/6dd82f] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[a3/8c756b] process > createNetworkGraphML (1) [ 0%] 0 of 1
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (143)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[ba/11eaa6] process > librarymergeResults [100%] 1 of 1 ✔
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[3f/9c9d0f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[c7/6dd82f] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[a3/8c756b] process > createNetworkGraphML (1) [100%] 1 of 1 ✔
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
executor > local (143)
[0c/0a6200] process > filesummary (1) [100%] 1 of 1 ✔
[fd/33b260] process > quantification_table_reform... [100%] 1 of 1 ✔
[c2/7200b8] process > filter_spectra (1) [100%] 1 of 1 ✔
[91/bf2420] process > librarySearchData (47) [100%] 65 of 65 ✔
[ba/11eaa6] process > librarymergeResults [100%] 1 of 1 ✔
[41/5e887a] process > summaryLibrary (48) [100%] 65 of 65 ✔
[3f/9c9d0f] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[80/b95cf4] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[f1/ddf98a] process > calculatePairs (1) [100%] 1 of 1 ✔
[28/db2b0f] process > filterNetwork (1) [100%] 1 of 1 ✔
[29/c87e8e] process > createMetadataFile [100%] 1 of 1 ✔
[8c/6bfddd] process > calculateGroupings (1) [100%] 1 of 1 ✔
[c7/6dd82f] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[a3/8c756b] process > createNetworkGraphML (1) [100%] 1 of 1 ✔
[33/e9fcc3] process > createTallRawData (1) [100%] 1 of 1 ✔
Completed at: 27-Jan-2025 03:24:48
Duration : 4m 26s
CPU hours : 0.4
Succeeded : 143
nf_cmd.sh 0000644 0000000 0000000 00000001201 14745575354 011353 0 ustar root root nextflow run /app/workflows_user/feature_based_molecular_networking_workflow/nf_workflow.nf -params-file /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_parameters.yaml -w /data/nf_data/server/nf_work/1489d042f3a741d598b7cef778daadac -with-report /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_report.html -with-timeline /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/1489d042f3a741d598b7cef778daadac/job_dag.html -with-weblog http://localhost:4000/nf_weblog/1489d042f3a741d598b7cef778daadac -c /app/launchserver/nextflow.config nf_output/ 0000755 0000000 0000000 00000000000 14745575764 011627 5 ustar root root nf_output/GNPS-IOBA-NHC.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 015002 0 ustar root root
nf_output/MONA.mgf.tsv 0000644 0000000 0000000 00000000001 14745575401 013642 0 ustar root root
nf_output/MSNLIB-POSITIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14745575374 015345 0 ustar root root
nf_output/BILELIB19.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 014331 0 ustar root root
nf_output/CMMC-FOOD-BIOMARKERS.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 016015 0 ustar root root
nf_output/MASSBANKEU.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 014546 0 ustar root root
nf_output/clustering/ 0000755 0000000 0000000 00000000000 14745575371 014000 5 ustar root root nf_output/clustering/spectra_filtered.mgf 0000644 0000000 0000000 00002143555 14745575371 020031 0 ustar root root BEGIN IONS
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CHARGE=1
COLLISION_ENERGY=0.0
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418.9577 290.0
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PEPMASS=432.2806
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191.9926 200.0
249.8376 260.0
END IONS
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PEPMASS=331.2465
CHARGE=1
COLLISION_ENERGY=0.0
103.0563 1400.0
105.0683 1700.0
107.0835 840.0
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128.0627 980.0
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159.0672 260.0
165.0685 450.0
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230.0359 310.0
END IONS
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=1148
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1151
PEPMASS=311.1579
CHARGE=1
COLLISION_ENERGY=0.0
101.0346 730.0
109.045 8500.0
110.0461 930.0
113.0396 770.0
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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=1156
PEPMASS=419.2408
CHARGE=1
COLLISION_ENERGY=0.0
124.901 220.0
133.983 260.0
140.0412 260.0
151.0476 260.0
204.8279 230.0
206.8199 1000.0
227.0804 260.0
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=0.0
CHARGE=1
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SCANS=1163
PEPMASS=325.171
CHARGE=1
COLLISION_ENERGY=0.0
101.0392 1500.0
109.0447 17000.0
116.0508 2800.0
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=628.2611
CHARGE=1
COLLISION_ENERGY=0.0
133.0563 1200.0
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PEPMASS=0.0
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=0.0
CHARGE=1
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SCANS=1171
PEPMASS=335.1012
CHARGE=1
COLLISION_ENERGY=0.0
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115.0502 340.0
118.9142 310.0
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232.0347 420.0
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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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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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=295.2253
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
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PEPMASS=922.0128
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COLLISION_ENERGY=0.0
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PEPMASS=415.1847
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=375.2173
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PEPMASS=266.618
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PEPMASS=532.2284
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SCANS=1521
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SCANS=1528
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SCANS=1529
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SCANS=1530
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SCANS=1570
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SCANS=1578
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SCANS=1579
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SCANS=1617
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1904
PEPMASS=640.3203
CHARGE=1
COLLISION_ENERGY=0.0
100.0478 19000.0
100.1753 420.0
100.721 240.0
101.0484 1600.0
103.053 220.0
136.0589 220.0
167.0757 240.0
175.8906 270.0
223.1062 220.0
230.1056 250.0
306.1039 240.0
384.1652 260.0
413.6284 220.0
420.1641 260.0
450.1606 230.0
END IONS
BEGIN IONS
SCANS=1905
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1906
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1907
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1908
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1909
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1910
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1911
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1912
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1913
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1914
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1915
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1916
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1917
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1918
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1919
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1920
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1921
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1922
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1923
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1924
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1925
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1926
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1927
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1928
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1929
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1930
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1931
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1932
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1933
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1934
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1935
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1936
PEPMASS=816.4261
CHARGE=1
COLLISION_ENERGY=0.0
100.0478 5400.0
101.0662 400.0
110.0693 1900.0
120.0782 1800.0
124.9991 1000.0
141.1002 400.0
152.0824 540.0
159.0911 630.0
169.094 530.0
177.0738 460.0
178.1323 570.0
184.0744 1500.0
209.1085 260.0
221.1277 1100.0
225.0996 330.0
226.1107 480.0
234.1221 850.0
236.1148 320.0
251.1494 1300.0
263.1194 230.0
274.0823 330.0
275.0977 230.0
282.1868 220.0
289.1048 260.0
302.1564 390.0
305.1219 250.0
320.1715 370.0
321.1703 260.0
337.1158 280.0
338.1872 640.0
368.2299 250.0
374.2193 260.0
384.1976 400.0
398.1796 280.0
433.2718 220.0
464.2397 260.0
465.1853 260.0
507.2876 410.0
773.2955 250.0
END IONS
BEGIN IONS
SCANS=1937
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1938
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1939
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1940
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1941
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1942
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1943
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1944
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1945
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1946
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1947
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1948
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1949
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1950
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1951
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1952
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1953
PEPMASS=922.013
CHARGE=1
COLLISION_ENERGY=0.0
111.9746 1900.0
115.0122 730.0
125.9913 840.0
132.9971 1200.0
146.0201 640.0
149.9531 2700.0
154.9994 1800.0
155.9822 5100.0
166.0268 2500.0
167.9402 4800.0
175.9872 7300.0
177.9837 1400.0
227.9274 5600.0
229.9215 27000.0
236.959 6200.0
238.9557 6500.0
248.9176 6100.0
249.9245 3700.0
250.9131 12000.0
257.9449 910.0
258.9598 1100.0
259.9405 3300.0
297.9315 1300.0
299.9304 7300.0
319.9339 9000.0
320.9183 5200.0
321.9282 24000.0
339.9392 4200.0
341.9351 6400.0
342.9235 4600.0
350.9751 840.0
359.9474 900.0
360.9322 1100.0
361.9352 1200.0
362.9312 1700.0
379.0269 860.0
411.9453 3800.0
413.9332 2600.0
431.9487 6400.0
432.9368 1200.0
433.9426 11000.0
434.9492 940.0
451.9556 3500.0
452.9413 1100.0
453.9501 10000.0
454.9361 7200.0
472.9412 1200.0
473.9542 840.0
523.9529 2600.0
525.9548 1100.0
543.9609 4700.0
544.9673 890.0
545.9565 8300.0
546.9551 2000.0
563.9661 3400.0
564.9595 550.0
565.9642 18000.0
566.9527 6200.0
567.9543 1600.0
570.9555 510.0
607.9822 260.0
625.9728 380.0
627.9828 470.0
635.9684 1400.0
637.9655 390.0
649.9747 350.0
655.9728 2200.0
657.9712 5700.0
675.9835 2200.0
677.9784 27000.0
678.9739 5300.0
679.9797 1200.0
769.9885 1600.0
789.9916 32000.0
791.0022 6700.0
791.7254 220.0
791.9943 1900.0
792.1754 360.0
807.9971 1400.0
901.9721 260.0
END IONS
BEGIN IONS
SCANS=1954
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1955
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1956
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1957
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1958
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1959
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1960
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1961
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1962
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1963
PEPMASS=290.2674
CHARGE=1
COLLISION_ENERGY=0.0
108.0745 200.0
114.0332 480.0
134.8904 470.0
135.046 250.0
150.0368 260.0
191.0806 210.0
END IONS
BEGIN IONS
SCANS=1964
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1965
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1966
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1967
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1968
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1969
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1970
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1971
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1972
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1973
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1974
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1975
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1976
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1977
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1978
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1979
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1980
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1981
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1982
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1983
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1984
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1985
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1986
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1987
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1988
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1989
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1990
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1991
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1992
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1993
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1994
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1995
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1996
PEPMASS=343.2935
CHARGE=1
COLLISION_ENERGY=0.0
115.0532 660.0
117.068 530.0
125.0003 270.0
127.0574 340.0
128.0593 420.0
128.1042 280.0
171.1165 280.0
291.0353 210.0
END IONS
BEGIN IONS
SCANS=1997
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1998
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1999
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2000
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2001
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2002
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2003
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2004
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2005
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2006
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2007
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2008
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2009
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2010
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2011
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2012
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2013
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2014
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2015
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2016
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2017
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2018
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2019
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2020
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2021
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2022
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2023
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2024
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2025
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2026
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2027
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2028
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2029
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2030
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2031
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2032
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2033
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2034
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2035
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2036
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2037
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2038
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2039
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2040
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2041
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2042
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2043
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2044
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2045
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2046
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2047
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2048
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2049
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2050
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2051
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2052
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=2053
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2054
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2055
PEPMASS=288.2896
CHARGE=1
COLLISION_ENERGY=0.0
115.0523 240.0
129.0691 210.0
END IONS
BEGIN IONS
SCANS=2056
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2057
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2058
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2059
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SCANS=3923
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120.0772 260.0
128.0618 920.0
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224.9218 260.0
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SCANS=3963
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SCANS=3981
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3210,199.1669808479712,17.579409,area,,,,210.0,382.0,[M-2H2O+K]+,,3.0,3265;3210;3161,196.22036,212.53297,9304.459,8531.679,16675.828,0.0,3623.112,7141.9565,3904.8596,0.0,4074.521,0.0,12173.13,7776.615,5049.499,10317.854,9913.223,
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539,203.0524676312272,2.3334286,area,,,,195.0,149.0,[M+Na]+,,2.0,539;549,180.06343,0.0,1794.7749,782.3003,1593.0037,0.0,358.24817,1117.9276,937.9833,229.90495,500.64642,264.0371,1620.0144,1108.2856,481.90277,1474.4083,1546.6853,
870,205.0965956769796,4.425383,area,,,,201.0,167.0,[M+NH4]+,,2.0,870;871,187.06312,1623.7825,1758.4835,2003.404,2353.0264,1940.5542,1987.4023,1844.4547,1642.2451,1585.8977,1596.8932,1582.1913,1967.9789,1897.1449,2524.1343,1870.7922,2518.8867,
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5123,207.03259673146127,22.484722,area,,,,172.0,551.0,[M-2H2O+H]+,,2.0,5123;5067,242.03916,0.0,2564.168,1649.7114,1813.248,13053.979,6051.372,3872.034,777.3557,91991.93,3630.309,11659.38,1510.4934,2475.7578,8156.768,1603.9944,2551.6262,
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1103,207.1536014937611,10.275807,area,,,,260.0,179.0,[M+K]+,,2.0,1102;1103,168.1892,4927.7866,4216.074,5338.244,6241.3677,4121.1636,5476.423,5026.5737,5067.429,6103.093,5866.552,6625.1055,3921.571,6800.304,4821.807,5344.075,5661.967,
4618,208.03369821334425,21.641834,area,,,,172.0,488.0,[M-H2O+2H]+2,,2.0,4627;4618,432.06862,8745.147,0.0,0.0,0.0,7323.441,0.0,0.0,0.0,1652.7786,0.0,1383.3717,0.0,0.0,720.1331,0.0,0.0,
4913,209.02545441513837,22.221582,area,,,,172.0,539.0,[M-2H2O+Na]+,,3.0,4913;4942;4988,222.05729,2726.787,0.0,0.0,0.0,2203.627,217.30318,0.0,0.0,2653.7107,0.0,12828.109,0.0,0.0,688.59827,0.0,0.0,
2813,209.15537993122703,16.610949,area,,,,15.0,317.0,[2M-H2O+K]+,,2.0,2813;2775,94.09701,2276.889,4983.6377,6955.4873,5622.8086,2360.0105,6008.8833,7554.896,4361.8267,2495.286,4905.726,2625.4124,11589.188,7381.89,6449.2837,5162.467,10677.474,
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104,214.85035753364755,1.7091085,area,,,,212.0,31.0,[M-H2O+H]+,,2.0,104;105,231.85811,104470.51,87624.1,91708.02,95382.664,90479.11,96532.14,89994.41,91760.734,98219.484,90715.77,96994.375,93537.57,99088.984,89865.805,93209.07,93361.48,
102,216.8489927902806,1.7049294,area,,,,212.0,33.0,[M-H2O+Na]+,,2.0,102;193,211.85288,7576.8413,7711.4985,6403.282,7748.4844,7508.1675,9999.418,6646.3667,7838.0103,6729.9824,7469.2285,6789.7456,7131.2188,6925.788,6514.677,7582.541,7793.6665,
819,219.02834020708275,3.9243166,area,,,,225.0,165.0,[M+K]+,,2.0,824;819,180.06506,3441.2688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
3265,219.204437318857,17.718323,area,,,,210.0,382.0,[M+Na]+,,2.0,3265;3210,196.22036,3188.0166,13919.401,21352.28,43015.36,3862.8708,16620.139,25170.242,24278.576,4052.8098,14991.456,3690.1938,15306.412,27238.465,17144.96,33568.2,36129.938,
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4923,221.08684610019296,22.230465,area,,,,172.0,549.0,[M+NH4]+,,2.0,5130;4923,203.05219,3629.7073,0.0,0.0,2719.9165,1978.2175,212.45557,0.0,0.0,2089.2827,568.897,9979.253,1537.6573,0.0,3590.0312,0.0,1731.8049,
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2812,221.15353877780612,16.622343,area,,,,15.0,331.0,[M-H2O+H]+,,2.0,2834;2812,238.15155,0.0,6091.408,1823.2075,4109.529,0.0,1203.8011,1935.0261,4183.8745,0.0,933.14105,0.0,3619.2964,5044.0166,1217.8141,6044.846,6546.8403,
4942,223.06475916951987,22.341717,area,,,,172.0,539.0,[M+H]+,,1.0,4913,222.05729,34025.637,3975.056,3758.7048,3179.719,35931.996,10915.09,0.0,856.34204,0.0,7120.592,154438.11,8040.899,3236.2866,11367.082,0.0,5244.4395,
4634,223.0649048460532,21.742561,area,,,,172.0,512.0,[M+2H]+2,,2.0,4634;4628,444.11449,124692.89,4180.862,3997.7642,2911.8428,273899.12,5948.8496,2590.1707,1428.4905,21343.717,4804.9185,24210.871,6633.632,4191.976,9145.94,3772.9124,5343.0474,
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5322,225.05796727804469,22.951195,area,,,,172.0,580.0,[M-2H2O+H]+,,2.0,5322;5360,260.06604,0.0,1202.1433,0.0,597.97095,0.0,2473.3613,2728.6802,0.0,4637.963,1503.0559,2297.3235,1077.5095,580.3182,24068.635,929.8347,1586.7815,
4619,225.05889935476108,21.690895,area,,,,172.0,492.0,[M+NH4]+,,2.0,4619;4618,207.02575,21339.719,0.0,0.0,0.0,17322.965,1002.5003,0.0,0.0,4330.8955,464.72253,1894.2168,390.42273,201.78938,1048.2009,650.30475,600.4098,
3525,225.18268725761743,18.53343,area,,,,226.0,401.0,[M-2H2O+K]+,,2.0,3525;3552,222.23869,0.0,2081.3513,1403.8373,4695.5625,0.0,250.29996,1160.603,392.31506,0.0,478.00165,0.0,2758.095,1020.9718,617.05133,2089.0579,2515.831,
1253,226.1783755473439,11.211869,area,,,,127.0,189.0,[M-H2O+H]+,,1.0,1249,243.18257,4047.6526,5261.1416,3458.1733,6096.047,4749.0977,3615.3586,4859.675,1739.9124,4248.642,8221.895,2928.0913,4217.441,4442.892,6346.6514,6245.0835,3472.3955,
2856,227.1963420140421,16.665272,area,,,,15.0,336.0,[M+H]+,,2.0,2855;2856,226.19062,11527.494,12670.425,12484.844,12550.129,12371.825,10970.638,12553.47,12291.832,12289.989,12023.997,12167.664,12715.577,12523.09,12708.449,14057.063,13833.167,
1958,228.1944813897574,13.740068,area,,,,227.0,266.0,[M+H]+,,1.0,1962,227.19058,1699.0884,22607.906,1258.0276,5451.421,2160.013,3857.745,1757.4258,2852.132,3364.9202,21076.736,1387.8788,11438.406,11574.282,6385.526,1670.723,7772.781,
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1397,233.13621753086215,11.830329,area,,,,60.0,208.0,[M-H+2Na]+,,2.0,1391;1397,188.15506,8744.569,5731.448,6631.9116,4959.5713,7941.0444,7713.554,5411.5537,7266.7217,8205.127,7166.3076,8041.4385,5038.9746,4496.577,6504.7197,6308.2754,6323.045,
1585,235.13593530483828,12.384322,area,,,,213.0,231.0,[M+Na]+,,3.0,1590;1585;1589,212.14075,3244.8706,475.16418,1181.3776,0.0,1167.0378,1315.9319,1465.5198,1122.4015,905.06555,1166.2358,2584.613,668.30994,1529.2362,1241.5676,294.6715,499.93314,
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2759,235.20482592701765,16.544333,area,,,,258.0,312.0,[2M-2H2O+Na]+,,2.0,2770;2759,124.119,0.0,43677.367,27192.584,49050.297,0.0,13975.621,28625.283,26207.09,0.0,15148.721,0.0,47080.086,32869.504,18550.299,40484.754,40867.06,
140,236.9933205913476,1.7007511,area,,,,212.0,38.0,[M-H2O+Na]+,,2.0,140;159,232.01611,1580.994,2555.9648,1074.591,2261.5173,1442.6776,1458.7145,1872.4078,1566.4694,4235.9663,1883.7235,1816.901,2109.992,1466.2612,1919.3495,2125.9336,2166.2766,
3174,237.2216026489567,17.524971,area,,,,210.0,376.0,[M-H2O+H]+,,2.0,3179;3174,254.22802,0.0,122744.766,62515.3,155902.48,0.0,40671.773,79934.484,69786.055,0.0,38634.984,0.0,135657.88,84283.37,49392.13,107749.95,117110.76,
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1962,250.17642348849296,13.739184,area,,,,227.0,266.0,[M+Na]+,,3.0,1958;1957;1962,227.19058,247.40598,6588.4824,0.0,1281.1058,559.8898,1453.8208,481.3412,1075.6027,1149.5762,6293.369,208.9567,2696.3838,3425.9468,2293.667,237.73022,2011.8618,
147,250.80816437769388,1.7174658,area,,,,212.0,33.0,[M+K]+,,3.0,147;193;109,211.85288,4585.095,4686.965,4383.2656,4789.535,4600.6445,4317.7256,4164.228,4852.8594,3711.2104,4600.008,4624.501,3638.9563,4615.553,4167.6206,5831.042,4331.792,
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1114,253.11262847547596,10.325954,area,,,,260.0,,,,,,,22345.193,13349.306,16323.796,11816.154,22251.426,16040.745,14869.231,19892.129,18225.646,14180.009,17883.434,11427.263,15587.396,18384.312,13692.171,13662.006,
3377,253.2146883222439,18.144571,area,,,,44.0,392.0,[M-H2O+H]+,,2.0,3376;3377,270.21732,1766.3696,34948.43,17523.057,38943.56,2312.0425,7288.0337,21177.518,14055.52,2228.6128,11100.058,2033.2651,38348.1,12988.327,15629.044,25935.816,24112.732,
2015,253.21525258624197,14.025867,area,,,,217.0,270.0,[M-2H2O+H]+,,3.0,2016;2015;2022,288.22802,0.0,49756.758,22581.447,53261.676,0.0,13162.453,26322.398,23436.861,0.0,11512.606,0.0,51563.875,31865.107,13797.447,26679.668,28937.984,
2313,253.21544036007944,15.1123705,area,,,,190.0,293.0,[M-2H2O+H]+,,2.0,2313;2314,288.22642,0.0,43867.52,21573.582,36957.797,0.0,13816.302,25635.258,23105.75,0.0,9178.051,0.0,50153.83,21465.72,15180.064,37863.906,39709.117,
1758,254.21644429306437,12.931143,area,,,,78.0,249.0,[M+H]+,,1.0,1761,253.1991,0.0,1962.6857,0.0,2798.5464,0.0,0.0,558.058,0.0,0.0,0.0,0.0,2124.0945,1282.913,0.0,1039.6521,1698.4158,
2318,254.21903501705935,15.129088,area,,,,190.0,292.0,[M-2H2O+H]+,,2.0,2303;2318,289.2356,0.0,5983.9136,2687.862,9849.591,0.0,1648.3799,3320.9026,2759.044,0.0,1724.7922,0.0,5868.792,6425.492,2075.8743,4495.1997,5189.679,
418,254.86264529887285,2.047599,area,,,,214.0,131.0,[M+Na]+,,3.0,418;406;424,231.87322,5295.212,6605.4053,8789.393,7112.643,9129.519,8773.935,8447.348,7130.746,10886.784,9042.056,8927.894,6627.3877,7849.6606,8761.958,6590.3833,7676.9004,
3176,255.23232174520584,17.53054,area,,,,210.0,376.0,[M+H]+,,2.0,3179;3176,254.22802,0.0,392881.2,205350.88,501787.22,0.0,136463.94,259267.69,227997.78,0.0,122546.414,0.0,434478.22,279480.03,155695.05,346072.84,379146.16,
597,256.86286000216,2.4780357,area,,,,195.0,156.0,[M+K]+,,2.0,596;597,217.90303,2493.778,1983.7598,2076.8567,3411.2083,1979.5707,2010.9983,2197.9502,1795.6545,2359.7583,2215.626,3392.3655,2208.5193,2312.359,2160.3706,3634.1519,3552.7397,
629,258.10992724520395,2.5908604,area,,,,195.0,,,,,,,38511.418,51675.82,48609.62,51696.773,33850.883,46245.383,48452.645,44899.605,39346.684,46076.473,29078.629,51481.633,49308.277,46504.293,50881.184,51969.848,
978,258.2149533227718,8.265769,area,,,,,,,,,,,3182.3555,3237.922,3180.484,3376.7996,2452.743,2602.3438,2596.9429,2706.7632,2938.4424,2906.4116,2949.3086,3314.004,2759.1265,2554.5176,3707.1548,2887.3477,
3911,259.1894269364115,19.502697,area,,,,3.0,426.0,[M+H]+,,2.0,3911;3902,258.18158,4047.6423,4401.6255,3493.7158,5500.264,4747.792,3413.184,3716.0068,3599.4,4631.5835,4351.8667,4612.243,5092.956,4025.3706,4770.3716,4429.4478,4993.922,
1249,261.21730670152186,11.204854,area,,,,127.0,189.0,[M+NH4]+,,2.0,1249;1253,243.18257,0.0,5743.0664,203.44354,7914.287,0.0,0.0,2251.129,1286.3483,0.0,0.0,0.0,6949.521,3143.61,0.0,4377.192,3165.1099,
3154,261.21991041265795,17.49154,area,,,,210.0,371.0,[M-H2O+H]+,,2.0,3154;3129,278.22354,0.0,18059.047,9792.792,22033.3,0.0,5649.0293,11852.626,9782.038,0.0,5849.765,0.0,19742.19,12572.185,7143.618,16425.717,17081.47,
1394,264.17571052408687,11.826152,area,,,,60.0,,,,,,,89484.445,52203.598,63547.44,55520.727,86453.766,78747.47,68545.57,75980.54,85125.94,62159.758,84614.81,53482.688,58785.75,74345.12,60035.586,59601.406,
4675,265.0206295599642,21.748768,area,,,,172.0,523.0,[M+Na]+,,2.0,4675;4674,242.03897,2923.9292,0.0,0.0,0.0,12119.313,0.0,0.0,0.0,1153.9313,0.0,1621.716,0.0,0.0,208.59413,0.0,0.0,
5067,265.0210935126978,22.38875,area,,,,172.0,551.0,[M+Na]+,,2.0,5123;5067,242.03916,1581.5016,0.0,0.0,0.0,2026.4141,205.18126,0.0,0.0,9177.653,0.0,7661.827,0.0,0.0,457.74042,0.0,0.0,
4425,265.0213054857486,20.941166,area,,,,154.0,457.0,[M+Na]+,,2.0,4379;4425,242.03922,9667.348,0.0,0.0,0.0,1402.1566,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
3982,265.25200169750303,19.686806,area,,,,3.0,429.0,[M-H2O+H]+,,1.0,3950,282.253,0.0,10147.156,3984.2344,14929.143,0.0,2959.5796,5920.9707,3990.6562,0.0,2220.6528,0.0,11687.943,5174.913,3828.3467,8768.535,10231.328,
1957,266.16048910866584,13.723356,area,,,,227.0,266.0,[M+K]+,,2.0,1957;1962,227.19058,1451.3208,4558.0664,1085.5701,2737.975,821.9362,2054.2578,779.7239,1466.8376,1124.3228,5273.949,1045.2007,3355.6152,2450.5938,1787.7396,296.59296,1854.2434,
1204,266.6179715488328,11.073671,area,,,,127.0,,,,,,,0.0,90857.88,46642.355,58877.97,7720.825,33826.363,31039.68,59897.953,5177.5723,32849.906,6441.329,88554.83,77931.78,34764.258,59733.18,59929.043,
4383,267.0004075405388,20.94015,area,,,,154.0,446.0,[2M+H]+,,2.0,4376;4383,132.99386,49357.04,0.0,0.0,424.61374,6856.1636,0.0,0.0,0.0,1530.1392,0.0,2672.5828,1217.0101,212.54163,1700.1484,230.86073,804.4148,
4635,267.00088853388485,21.708736,area,,,,172.0,490.0,[2M+H]+,,3.0,4635;4632;4629,132.99666,24333.143,207.08057,1084.6454,785.3602,53750.59,1337.5303,0.0,0.0,6039.0547,908.6769,3669.0425,2001.113,1068.8583,3496.4836,1045.234,834.5405,
2952,269.2104686628059,16.96197,area,,,,24.0,348.0,[M-H2O+H]+,,2.0,2952;2955,286.2078,2697.5388,21896.146,10949.094,26129.111,2353.3972,8415.307,12979.067,11994.632,2140.3008,7775.3594,3755.7634,29553.29,20649.328,11664.24,17800.445,18816.71,
3667,270.31590381116115,18.85078,area,,,,,,,,,,,53393.656,214895.6,135633.47,181330.23,53561.996,93168.21,123138.24,120294.59,57238.445,97273.78,54121.6,175553.36,143352.12,93269.59,157815.52,147372.45,
2855,271.1633433365877,16.643637,area,,,,15.0,337.0,[M-2H2O+NH4]+,,2.0,2878;2855,289.14882,1614.5764,0.0,0.0,0.0,4228.9033,0.0,0.0,0.0,1205.5145,0.0,1864.4274,0.0,0.0,0.0,0.0,0.0,
2017,271.22195357044006,14.031438,area,,,,217.0,270.0,[M-H2O+H]+,,3.0,2016;2017;2022,288.22802,0.0,21371.244,6341.1123,23397.275,0.0,2593.1323,8577.622,6976.782,0.0,2224.5132,0.0,19816.441,11889.157,2758.4092,17841.37,13569.039,
1761,271.222850945135,12.950519,area,,,,78.0,249.0,[M+NH4]+,,2.0,1758;1761,253.1991,0.0,12267.516,2369.6719,17623.514,0.0,285.01324,3411.765,4774.108,0.0,1096.3849,0.0,11390.7295,8468.149,830.9568,7047.6797,12351.994,
2321,271.22415233115987,15.145804,area,,,,190.0,293.0,[M-H2O+H]+,,1.0,2314,288.22642,0.0,14832.279,4588.5923,12423.497,0.0,3103.1172,5363.5005,5508.5,0.0,2147.2932,0.0,17407.52,7893.21,2431.7146,13917.657,15106.6875,
2191,272.2578384209061,14.688677,area,,,,257.0,280.0,[M+H]+,,3.0,2191;2184;2190,271.25119,13401.634,7102.248,8152.3228,30208.807,8013.9707,10549.199,10806.966,9527.638,8980.669,11429.521,10268.698,7213.493,10875.655,7554.091,9522.246,11292.146,
3179,272.26794365571743,17.545778,area,,,,210.0,376.0,[M+NH4]+,,3.0,3179;3176;3174,254.22802,245.59268,6248.0034,3180.1143,7399.105,0.0,1682.0625,3925.6426,2951.8418,213.74124,1528.3248,249.63918,6414.8726,3440.497,2718.7373,5801.954,5583.5835,
1007,273.1666960723923,9.080645,area,,,,59.0,169.0,[M+Na]+,,2.0,1006;1007,250.1761,3255.743,2743.4067,4220.465,3016.5007,2433.7637,3297.8213,2396.2688,3537.2866,2954.2302,2503.0674,2507.5583,3172.4287,3710.591,2352.0842,2725.6023,2748.1096,
784,273.8977141724214,3.6355906,area,,,,32.0,164.0,[M-H+2Na]+,,2.0,815;784,228.93511,62160.902,71023.13,62997.043,54800.62,63140.434,60114.22,66548.37,8814.881,75495.36,57635.812,72281.39,56789.875,58520.61,10044.462,8856.445,55524.812,
1139,274.6150636579342,10.615951,area,,,,186.0,,,,,,,0.0,15367.733,3599.7456,10254.965,0.0,1768.2604,2417.6792,6280.191,0.0,1700.8728,0.0,13999.28,10402.858,2489.9402,7446.4595,10457.116,
955,276.1595801241691,7.1165895,area,,,,121.0,,,,,,,35168.848,25017.709,27454.604,24139.93,34144.848,32446.697,28761.94,32299.307,35040.605,28087.295,36406.96,26272.021,29416.104,30472.94,30024.988,31445.89,
2052,277.21430419129746,14.1489,area,,,,8.0,273.0,[M-2H2O+H]+,,2.0,2058;2052,312.22773,354.31696,32561.824,24783.86,27634.754,0.0,16136.009,32582.91,28945.297,0.0,5514.467,0.0,25292.33,15474.722,17876.004,18839.455,20025.979,
2362,277.2143313440152,15.208482,area,,,,151.0,294.0,[M-2H2O+H]+,,2.0,2362;2360,312.22773,0.0,10455.576,14641.1,31144.887,207.92627,10826.204,17261.854,15171.188,0.0,11078.0625,0.0,15907.759,20606.406,12204.891,9422.328,10081.85,
5501,279.1612292287641,23.263697,area,,,,51.0,585.0,[2M+Na]+,,3.0,5488;5501;5489,128.08026,5565.9473,5419.127,4221.7676,8613.685,8685.586,4528.9785,3265.1587,2921.2988,3679.1782,4326.31,6830.0557,4821.8384,4673.1665,4814.7495,4947.767,6868.5327,
4012,279.16152306415535,19.745075,area,,,,3.0,433.0,[2M+Na]+,,2.0,4023;4012,128.08308,9635.118,10421.669,9828.108,13598.698,14857.746,8960.188,8014.3945,9069.625,13197.503,9906.204,11882.19,13815.856,9315.15,12222.683,10913.119,14663.024,
995,279.2198994356596,8.892593,area,,,,,,,,,,,8874.536,3778.2678,5865.735,3399.297,7938.198,6078.793,5440.643,6034.473,7596.7803,6211.2124,8417.033,4117.501,5003.147,6079.2397,4865.392,4939.1997,
2628,279.2297172870693,16.06769,area,,,,7.0,,,,,,,4109.7734,452734.47,196525.44,563541.75,1724.1091,117865.3,234787.55,213809.06,947.5578,110869.11,1467.9497,502278.94,306537.5,140365.17,361815.4,397948.1,
1236,279.23150676424035,11.18427,area,,,,127.0,,,,,,,0.0,65647.36,8740.424,58776.977,0.0,4920.88,15815.658,19923.387,0.0,4181.2183,0.0,47848.332,21448.744,6067.123,42825.72,37189.855,
5126,281.0516654662769,22.519886,area,,,,172.0,562.0,[2M-H2O+H]+,,2.0,5159;5126,149.02593,32658.328,7378.6533,4545.565,6549.4033,35615.94,16665.25,12619.605,2401.6636,250269.84,15233.037,31817.02,11355.854,7257.168,22710.86,6385.379,9370.9,
3902,281.17023096354745,19.502697,area,,,,3.0,426.0,[M+Na]+,,2.0,3911;3902,258.18158,1864.7079,2828.744,2114.6477,3253.0188,2219.8428,1781.6189,2112.0342,2872.1702,2092.1997,2469.451,4235.728,2525.6418,2182.3435,2192.375,2503.5327,2730.7722,
3070,281.2478577571912,17.292095,area,,,,223.0,364.0,[M-2H2O+H]+,,2.0,3083;3070,316.26601,2052.2766,135454.9,78128.75,154392.69,4070.391,43630.29,73208.984,73223.83,3597.976,47191.277,1861.4502,146828.0,108439.91,57342.625,114602.586,123506.766,
2566,282.2797751367917,15.904712,area,,,,192.0,,,,,,,92945.8,62235.062,70609.41,72365.3,88664.8,74750.61,69722.195,76090.73,88249.984,76423.59,94846.69,64891.008,81791.945,79468.18,77573.6,89538.914,
577,283.020781285313,2.3915615,area,,,,195.0,151.0,[M+Na]+,,2.0,577;575,260.03098,2933.0825,0.0,270.50635,0.0,3315.4119,1007.91003,984.5456,676.52454,1036.5493,1627.222,1821.8524,0.0,201.47209,1177.0345,443.31073,268.5902,
5360,283.04947606179405,22.974562,area,,,,172.0,580.0,[M+Na]+,,2.0,5322;5360,260.06604,0.0,2072.7417,275.9874,1067.1252,2672.21,3489.8862,0.0,707.6272,4771.538,3333.7974,1939.2555,2678.652,1600.5568,41080.676,729.08466,1764.519,
2560,283.2819921924898,15.892175,area,,,,192.0,301.0,[M+H]+,,1.0,2567,282.26548,19235.8,15170.829,15509.971,14513.912,18144.957,17155.615,15765.976,17201.938,17681.295,15613.156,18572.635,14289.5205,17312.43,16246.353,17940.92,17116.395,
1377,287.1326483485082,11.759289,area,,,,137.0,200.0,[2M-2H2O+K]+,,2.0,1374;1377,142.09343,13717.544,10009.042,10779.144,9622.879,14411.437,12454.055,11497.872,12566.129,13172.613,11824.476,13875.789,11020.387,11636.507,13081.302,10919.979,11389.855,
2963,287.21442568414733,16.978687,area,,,,24.0,348.0,[M+H]+,,2.0,2963;2955,286.2078,1919.3751,6524.304,6796.4893,9038.559,2435.7957,4462.388,5426.9463,4889.4395,1128.5319,5543.3086,20223.672,7401.225,3332.9187,4381.7734,8952.698,8584.096,
2055,288.2895832459898,14.15795,area,,,,152.0,,,,,,,32651.89,16540.824,22337.016,16883.209,30922.527,24829.6,22357.967,22691.178,28748.64,22505.65,32626.629,16714.309,21721.148,25181.191,24420.656,22648.441,
2113,288.29040450471564,14.433759,area,,,,,,,,,,,37697.152,22841.057,25812.834,22453.467,36878.04,28681.91,26023.55,26850.26,36225.96,28373.74,37833.26,23299.205,26162.621,31425.225,25737.28,27169.482,
1378,289.1322816036005,11.763468,area,,,,137.0,204.0,[2M-2H2O+H]+,,2.0,1378;1375,162.07838,4942.3643,3532.1187,3649.9614,3369.9097,5016.3906,4242.2188,3826.0664,4841.949,4530.737,4133.992,5057.877,3453.5137,4336.0654,4152.175,3802.5693,4382.787,
2315,289.22886703028763,15.140228,area,,,,190.0,293.0,[M+H]+,,1.0,2314,288.22642,0.0,3452.1445,1382.5936,4084.6533,0.0,924.3505,1426.2113,1498.9807,0.0,488.66547,0.0,5647.499,2103.3381,1282.9497,2939.491,3205.7285,
1963,290.2673735346795,13.719175,area,,,,227.0,,,,,,,14185.889,1216.2456,2217.3398,990.81256,20341.996,2903.0305,3270.5498,1831.846,10106.172,3464.1685,5822.7344,831.76294,1265.3271,3103.437,1240.5337,1612.9231,
759,290.91174946573096,3.4475446,area,,,,32.0,163.0,[M+NH4]+,,2.0,759;784,272.88418,16825.783,15996.311,2627.0662,14633.222,3015.0718,2498.349,2756.7102,17304.781,3026.4443,16122.184,2693.1296,2768.4229,2710.2634,2568.1484,2222.7021,1364.5548,
952,291.1644104500775,7.0664415,area,,,,121.0,,,,,,,10488.301,6700.0645,6682.8965,7200.6426,9939.317,8196.056,7210.6865,7975.4946,8671.077,8651.44,10971.49,7402.475,7234.6274,7684.1895,8059.0645,7817.9453,
421,292.81971123323984,2.051778,area,,,,214.0,130.0,[M+K]+,,2.0,418;421,253.85596,56930.13,54575.83,56206.04,59531.76,59885.457,58861.867,56723.31,58176.34,62647.105,59576.418,60749.086,58347.47,58981.805,57168.1,61108.086,62188.668,
3376,293.2058764705667,18.14456,area,,,,44.0,392.0,[M+Na]+,,2.0,3377;3376,270.21732,1393.1877,4556.7954,3199.421,4137.537,1143.5294,1069.032,4080.3528,3303.4282,469.60315,2985.9966,1187.0559,3653.6353,1975.3384,5632.924,2316.2498,3485.4814,
2184,294.2359134599305,14.688677,area,,,,257.0,280.0,[M+Na]+,,3.0,2191;2184;2190,271.25119,2539.7705,1479.9148,1764.3774,6424.908,1150.1805,1800.3843,1732.2231,1495.1085,1631.0924,1816.6725,1641.6104,1676.1836,2048.6125,1673.4723,2237.4365,2452.2302,
525,294.840356733108,2.2690759,area,,,,195.0,136.0,[M-2H2O+H]+,,2.0,525;511,329.84677,6868.2505,16956.74,6976.673,19803.596,18110.346,16790.447,18015.584,17302.309,7441.507,7467.723,7100.208,7551.9336,7258.513,7163.6885,18641.8,7752.5444,
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3939,319.29602946104046,19.570944,area,,,,252.0,427.0,[M+NH4]+,,2.0,3939;3948,301.2643,0.0,0.0,0.0,0.0,0.0,0.0,948.0836,0.0,0.0,0.0,0.0,3773.6987,0.0,0.0,1981.6527,0.0,
1450,320.17137513192694,12.014197,area,,,,60.0,212.0,[M+NH4]+,,4.0,1454;1450;1453;1449,302.13848,227827.34,230866.39,311678.47,321866.22,223752.77,320640.6,323259.97,302598.16,358354.47,241180.02,250702.75,320926.8,320396.12,326735.12,324526.94,325093.06,
544,320.9786232962873,2.3288083,area,,,,195.0,145.0,[M+NH4]+,,3.0,562;544;540,302.93843,3437.2983,206.04,1557.5226,0.0,4966.6323,1909.5239,2032.2496,1562.2946,3622.8066,2911.5222,5437.3516,0.0,1075.7977,4046.416,995.2466,822.87256,
3562,321.23159414847044,18.540316,area,,,,226.0,400.0,[2M-2H2O+Na]+,,2.0,3535;3562,167.12318,0.0,7242.084,1278.6099,10195.152,0.0,0.0,4417.929,1396.3486,0.0,0.0,0.0,8138.8584,5231.7266,1347.7253,6752.5654,6231.7935,
2966,321.2394281991845,16.990084,area,,,,24.0,349.0,[M-H2O+H]+,,3.0,2978;2966;2975,338.24537,0.0,39867.25,22291.973,47740.367,0.0,15750.185,27161.994,25230.072,0.0,14888.642,0.0,43354.273,30477.547,19289.367,35745.492,38960.24,
2837,321.24067996425737,16.627914,area,,,,15.0,330.0,[M-H2O+H]+,,3.0,2837;2822;2832,338.24497,0.0,155044.97,77142.34,183104.97,0.0,51194.477,93597.16,90503.52,0.0,48153.703,0.0,172775.92,115812.29,59116.266,128398.49,145635.31,
5902,321.3121880767537,23.815298,area,,,,199.0,615.0,[M+H]+,,1.0,5890,320.30664,0.0,0.0,0.0,1426.0858,0.0,473.61395,2799.2734,0.0,0.0,855.6461,1000.6816,10476.483,1161.2484,204.3029,5432.8433,1403.7722,
1453,325.1283556651573,12.014196,area,,,,60.0,212.0,[M+Na]+,,4.0,1454;1450;1449;1453,302.13848,54700.355,56772.043,83067.484,56284.14,48049.594,82066.66,77551.36,77466.89,81126.664,56389.277,58455.61,48291.703,55285.523,80228.73,80887.82,48222.65,
1163,325.1709941837559,10.819061,area,,,,166.0,,,,,,,42329.81,29297.209,28905.016,28506.55,40300.96,35464.465,30327.602,33758.777,37672.887,29478.059,39369.562,30118.32,31755.143,33617.492,31955.107,32553.434,
2235,325.20880276633164,14.822941,area,,,,257.0,289.0,[M-2H2O+H]+,,2.0,2237;2235,360.23635,0.0,103334.86,6316.194,45256.496,0.0,1194.3167,15358.369,6785.5283,0.0,0.0,0.0,109133.11,56723.355,1258.0768,70877.52,76559.03,
2018,327.1994794429069,14.046897,area,,,,217.0,270.0,[M+K]+,,2.0,2016;2018,288.22802,313.59357,3426.2258,7272.042,3823.9666,533.6456,4234.5845,4788.4165,6200.443,0.0,5757.4443,472.98007,3415.1943,6157.9897,7347.0825,5656.352,3281.3193,
1045,327.2028911185531,9.580912,area,,,,58.0,172.0,[M+Na]+,,2.0,1045;1032,304.2179,0.0,2155.3164,436.45947,2968.3677,0.0,0.0,1054.1255,1360.8993,0.0,0.0,0.0,2645.8376,1935.752,209.77103,5884.8823,4262.8364,
2760,327.22941622671385,16.547663,area,,,,258.0,313.0,[M-2H2O+H]+,,2.0,2781;2760,362.24933,864.72906,53465.78,26312.373,61640.957,1239.2876,16130.251,30862.867,26786.21,442.68378,15281.689,0.0,57671.383,34697.637,20226.893,45775.625,46368.688,
3923,327.33740266755154,19.557032,area,,,,3.0,,,,,,,81352.25,70153.15,98712.516,84895.84,98572.375,105358.766,101345.15,96956.36,112190.03,112031.26,90929.64,80140.516,90915.6,98146.25,108512.48,112979.875,
1044,329.1868764138133,9.569575,area,,,,132.0,,,,,,,42795.297,20737.898,28090.234,20536.135,44855.24,33613.723,30480.58,29658.477,40979.363,33538.145,42422.12,22146.473,25941.293,30283.125,27040.998,25358.623,
3532,329.2460783133882,18.544569,area,,,,226.0,404.0,[2M-H+2Na]+,,2.0,3528;3532,142.13492,0.0,17591.271,10032.308,27544.973,0.0,5700.7754,12305.473,9109.881,0.0,5841.8584,0.0,20956.188,14174.406,7535.8145,16773.293,18112.947,
6394,329.3231818446501,24.663605,area,,,,92.0,651.0,[M+Na]+,,2.0,6394;6414,306.33311,5530.085,530.6135,220.16748,907.99255,7643.895,221.19926,422.95062,270.60632,8040.1016,442.42297,7482.4424,918.6947,917.66943,457.26343,268.6679,929.8816,
1579,329.6131920944507,12.387767,area,,,,,,,,,,,0.0,5209.6787,9544.216,11052.175,0.0,6427.3213,6586.4614,16279.372,0.0,6117.2905,0.0,10994.636,11446.526,12430.779,8622.859,13706.477,
1277,330.1554880692754,11.412373,area,,,,,,,,,,,6027.88,0.0,959.32324,0.0,5591.6724,1919.3171,593.7427,0.0,5011.3003,2994.0852,3861.4524,0.0,211.80986,1021.64905,247.59233,0.0,
1469,331.2431850215754,12.064606,area,,,,60.0,214.0,[M+H]+,,2.0,1475;1468,330.238,0.0,9659.332,1819.5789,12374.743,0.0,1074.1975,2963.319,2475.641,0.0,712.3447,0.0,10535.884,4934.9634,1120.0654,6260.9937,12101.451,
1370,331.244929524524,11.747014,area,,,,16.0,199.0,[M+H]+,,3.0,1360;1362;1370,330.23916,0.0,29987.51,5081.8027,37420.38,0.0,2028.2277,8301.028,7825.688,0.0,1226.4312,0.0,32036.986,15213.843,1898.532,19090.764,24945.396,
1144,331.2464683595826,10.63824,area,,,,186.0,180.0,[M+H]+,,2.0,1144;1141,330.24077,0.0,118750.27,23099.69,160296.17,0.0,12030.9375,43104.766,37842.07,0.0,3256.5332,0.0,135046.47,60686.266,16388.936,83460.87,102014.46,
84,332.80733620052115,1.537777,area,,,,170.0,1.0,[M+Na]+,,2.0,84;86,309.82007,7281.461,8087.583,7441.7544,9546.507,6826.0586,7434.038,8001.9414,7926.633,6994.601,7389.086,6808.514,8353.113,9306.956,13117.696,9780.084,8043.9985,
1530,333.26301608428474,12.220611,area,,,,241.0,222.0,[M+H]+,,3.0,1530;1532;1531,332.2559,0.0,40913.234,9235.886,60915.105,0.0,4668.5635,17389.5,13685.324,0.0,3097.4678,0.0,49281.758,22014.533,5989.3467,29104.957,38105.48,
1254,333.26386581726405,11.217704,area,,,,127.0,191.0,[M+H]+,,3.0,1268;1254;1258,332.25636,0.0,147756.17,32632.453,206947.56,0.0,18202.797,62969.008,50905.7,0.0,13091.424,0.0,170279.3,77133.39,23335.037,101568.47,131362.22,
3083,334.2944410617752,17.296515,area,,,,223.0,364.0,[M+NH4]+,,5.0,3082;3083;3070;3081;3078,316.26601,0.0,4159.8813,2175.4158,6547.8657,0.0,1701.6011,4331.1357,3031.1165,0.0,1645.4674,0.0,6417.2773,4912.417,1619.8391,5542.86,4141.9546,
1171,335.10121712000097,10.877565,area,,,,90.0,,,,,,,2789.3762,6543.5723,11059.859,6195.631,2521.5276,9009.238,9562.415,8563.871,2616.7888,9298.385,2228.2666,6516.075,8040.004,8322.846,8626.733,7731.0376,
2360,335.2168615278258,15.227749,area,,,,151.0,294.0,[M+Na]+,,3.0,2362;2360;2357,312.22773,865.0554,33698.83,18634.889,51555.664,1089.2527,11548.646,22016.8,18446.404,1285.983,14178.03,1156.8549,40587.984,24780.783,14917.454,37328.996,41619.34,
2058,335.2177038234832,14.16631,area,,,,8.0,273.0,[M+Na]+,,3.0,2058;2048;2052,312.22773,4021.8413,82969.445,39703.13,89379.83,5542.0386,23995.418,43865.1,40583.637,1090.2,19710.955,1788.0886,66251.516,53886.97,29835.703,66106.84,70770.57,
3925,336.3245306363266,19.56943,area,,,,252.0,428.0,[M+NH4]+,,2.0,3939;3925,318.28973,0.0,833.3143,1368.678,11533.039,0.0,4835.591,28654.139,1079.3702,745.3431,5682.854,7354.1875,95218.26,7471.2354,3194.6582,46946.316,10107.881,
554,336.9499291383665,2.3192205,area,,,,195.0,147.0,[M+K]+,,2.0,544;554,297.98809,37149.4,13652.187,48909.1,13869.27,87194.59,61130.926,51150.133,46988.957,40385.26,65435.62,93016.625,13410.028,32486.768,61656.418,34814.484,33444.086,
89,336.9502890391325,1.5419542,area,,,,,,,,,,,81593.28,14265.237,41559.85,13551.066,82915.63,51018.734,41471.266,37486.625,88275.39,60028.926,95062.53,11649.986,29914.21,53328.992,28986.502,26839.121,
1959,337.23828381551743,13.7400675,area,,,,75.0,265.0,[M-2H2O+H]+,,2.0,1959;1929,372.24594,1552.6144,10071.711,4214.5264,15477.403,1058.3492,3173.0166,6157.314,5502.2886,1593.4363,2260.423,1269.8456,13571.62,8098.1772,3376.0916,9176.457,10991.55,
2630,337.2406327014033,16.066114,area,,,,7.0,307.0,[M+Na]+,,2.0,2643;2630,314.24998,1609.224,381061.16,128119.1,362587.06,499.2068,95583.77,192573.08,164778.9,0.0,70234.41,674.2398,350741.9,189743.19,96277.65,247689.89,269368.6,
1026,338.18216979869135,9.377347,area,,,,179.0,170.0,[M+NH4]+,,2.0,1026;1030,320.15191,4728.7554,2997.7437,2981.5315,2843.3364,4648.4653,3968.469,4306.093,5951.791,5208.706,4792.1816,5694.936,2872.4622,3287.3901,4691.786,5585.6323,3069.983,
5890,338.3421845802497,23.790241,area,,,,199.0,613.0,[M+H]+,,2.0,5874;5890,337.33275,43662.582,28222.574,35217.426,182464.58,24214.314,108658.16,430786.6,32067.842,30577.85,108230.54,154953.88,1311213.9,154425.94,72966.89,711902.25,191485.56,
557,338.94907789126125,2.3192205,area,,,,195.0,141.0,[M-H2O+K]+,,2.0,557;548,317.98833,6060.628,973.9169,3374.2798,1044.6611,7259.425,4847.5483,7462.4707,3423.9785,6590.3535,11107.316,6865.681,990.08105,5016.452,4813.1294,5381.3667,5327.449,
2838,339.2562185035865,16.614258,area,,,,15.0,330.0,[M+H]+,,2.0,2832;2838,338.24497,0.0,153663.89,72724.83,181688.39,565.00464,49645.44,89332.44,84659.89,2969.9736,46743.07,2211.5862,168135.58,110051.234,59773.9,125634.195,141164.7,
3081,339.25761315007657,17.296131,area,,,,223.0,364.0,[M+Na]+,,4.0,3083;3094;3081;3078,316.26601,0.0,32529.59,18043.148,39866.277,0.0,10585.313,19208.676,18760.158,2118.1333,11603.54,1741.4264,34953.39,26319.484,13076.846,27792.94,31975.793,
2970,339.2577645216504,17.015368,area,,,,24.0,349.0,[M+H]+,,2.0,2978;2970,338.24537,945.0989,50886.977,28288.594,61630.36,0.0,18692.275,34210.254,32242.93,2602.03,17980.346,2003.044,56251.402,40062.473,23252.908,45394.88,50425.633,
4638,341.0186955661964,21.675596,area,,,,172.0,487.0,[2M+K]+,,2.0,4638;4629,151.02028,30567.11,1149.7147,1257.2142,605.0122,67963.84,2293.2236,603.8597,0.0,0.0,2286.7007,6445.2554,2319.371,1306.0812,2579.9182,1498.5317,1204.1576,
5127,341.01914313971463,22.507313,area,,,,172.0,564.0,[2M-2H2O-H+2Na]+,,2.0,5159;5127,166.05166,3957.8142,1343.0953,1509.4321,1462.9224,8669.347,3805.9946,3725.0273,511.1756,46659.48,3931.1558,7028.1934,3507.4065,1902.7687,5433.357,1341.3029,2883.272,
1449,341.10185881051416,12.014197,area,,,,60.0,212.0,[M+K]+,,4.0,1454;1450;1453;1449,302.13848,31835.262,30066.785,46868.652,53226.566,52488.223,50184.273,48349.586,33062.008,54525.125,51085.95,38901.25,51473.11,46208.13,49267.246,50267.02,50208.35,
1318,341.1023859124829,11.58378,area,,,,16.0,,,,,,,9580.735,9881.181,10762.197,11268.918,12938.633,10928.873,11600.602,11532.7,10406.296,12568.408,10730.709,11259.416,10945.449,12449.089,11468.71,9075.507,
1030,343.1446827258784,9.380747,area,,,,179.0,170.0,[M+Na]+,,2.0,1026;1030,320.15191,1347.8088,342.0898,1690.1182,0.0,1231.6194,1230.7278,873.1033,1368.6572,700.7096,1268.3132,1127.2827,0.0,1134.8177,1613.4669,472.48682,0.0,
1838,343.2256723899385,13.27994,area,,,,138.0,254.0,[M-2H2O+H]+,,2.0,1838;1837,378.24021,214.25629,36507.57,18319.363,40265.816,0.0,2943.5884,13035.763,14133.54,215.81703,1792.135,0.0,35330.527,21070.05,2772.8455,27556.5,34417.0,
1557,343.2259211895014,12.315335,area,,,,104.0,230.0,[M-2H2O+H]+,,3.0,1557;1570;1575,378.24339,0.0,34006.7,4139.8584,50704.83,0.0,2199.9512,15077.97,11858.238,0.0,1812.4249,0.0,44238.906,18702.209,4417.7837,27529.262,32631.432,
1996,343.2934926886606,13.88633,area,,,,33.0,269.0,[M+H]+,,3.0,1994;1995;1996,342.28729,23359.834,20383.438,20537.99,18990.727,16344.73,16056.313,23999.723,22269.701,20588.627,28623.693,20437.986,19384.447,26075.46,16083.723,24717.953,33554.35,
1889,345.2372361712975,13.510018,area,,,,22.0,261.0,[M-2H2O+H]+,,2.0,1889;1877,380.25287,0.0,10196.862,1580.4341,5075.746,0.0,757.34216,992.4597,1469.5017,0.0,0.0,0.0,10316.903,2245.1553,1112.197,2981.2593,11933.183,
2761,345.2408202252003,16.556622,area,,,,258.0,313.0,[M-H2O+H]+,,2.0,2781;2761,362.24933,1161.8706,82849.27,41374.688,97794.75,760.8054,23007.385,48632.32,41626.074,1086.7041,23819.998,518.393,91111.8,54200.816,31735.844,71688.57,72649.305,
1348,349.18951702316133,11.65615,area,,,,137.0,197.0,[M+Na]+,,2.0,1348;1349,326.20494,220.98122,1413.5858,357.72095,2305.1934,0.0,556.674,913.9741,259.3802,207.39711,623.9396,0.0,814.712,252.91173,424.55267,1430.454,1049.3401,
100,352.7718134868797,1.6714978,area,,,,212.0,26.0,[M-H2O+Na]+,,2.0,168;100,347.78286,4582.4565,1173.6211,2252.6296,2081.8792,3507.0127,2597.475,4508.1743,2827.0342,3607.1282,3219.645,3368.187,2014.4458,2567.7395,2770.871,4326.2007,3956.8691,
2643,353.2117122132057,16.09266,area,,,,7.0,307.0,[M+K]+,,2.0,2630;2643,314.24998,417.908,19340.564,7107.8584,70601.16,0.0,4765.9663,6764.464,8099.5586,341.2129,4479.145,210.99368,18915.674,11160.818,5134.464,14830.643,19089.828,
1840,353.22921277138374,13.297114,area,,,,204.0,255.0,[M+Na]+,,2.0,1840;1853,330.2371,2290.9111,8818.5,4882.8945,9600.759,6882.342,2993.686,5074.3633,4666.577,2178.3228,3701.5059,1782.5393,7251.809,6249.8213,3968.4702,6506.8613,7382.625,
1475,353.229871502236,12.085238,area,,,,60.0,214.0,[M+Na]+,,2.0,1475;1469,330.238,2846.4983,17931.377,5077.404,21169.848,2200.1152,5731.731,9249.889,9513.007,1720.2314,3190.914,2801.9397,16770.264,10552.27,5942.785,12967.097,13767.365,
1360,353.23018984385925,11.69795,area,,,,16.0,199.0,[M+Na]+,,5.0,1360;1362;1370;1365;1368,330.23916,2841.74,76919.85,26947.936,87347.96,6426.6523,39525.773,35578.098,32706.377,2804.2495,29393.178,0.0,87378.95,47829.324,19062.783,60530.05,70126.125,
1141,353.2305642300568,10.615951,area,,,,186.0,180.0,[M+Na]+,,4.0,1144;1141;1143;1146,330.24077,0.0,123374.08,33468.91,157673.67,0.0,7878.175,58441.2,52638.41,0.0,5829.4375,0.0,131472.02,75856.836,22724.58,96723.92,116606.46,
4387,355.07063659176646,20.995901,area,,,,154.0,450.0,[M+Na]+,,2.0,4377;4387,332.09543,376502.9,5860.951,6400.859,11301.554,0.0,6360.9785,2142.4712,3066.392,12331.181,6733.6826,0.0,7179.7666,5735.323,0.0,6660.1553,0.0,
3087,355.23974891040416,17.292055,area,,,,223.0,364.0,[M+K]+,,2.0,3094;3087,316.26601,668.38324,2291.049,1914.4279,3476.157,398.48364,2551.9712,1840.1501,2330.3857,1141.9172,1478.1223,0.0,3163.3481,2702.309,1637.9958,2902.576,2855.5325,
1858,355.2443295486213,13.384944,area,,,,159.0,258.0,[M+H]+,,2.0,1858;1859,354.23847,0.0,24025.477,7851.448,31184.426,209.60144,2481.5579,9850.283,10968.229,0.0,2214.8877,467.5672,27019.05,14152.542,1604.903,8043.882,21803.646,
1531,355.24675517308424,12.215039,area,,,,241.0,222.0,[M+Na]+,,4.0,1534;1530;1532;1531,332.2559,0.0,44164.1,19076.457,87089.46,0.0,11210.13,30000.934,25640.396,0.0,8736.6045,0.0,72159.08,37920.266,13287.469,48228.062,58845.99,
1268,355.24685538276435,11.329137,area,,,,127.0,191.0,[M+Na]+,,5.0,1268;1254;1256;1258;1257,332.25636,0.0,203683.14,59096.957,263948.22,0.0,35134.574,99305.02,83949.06,0.0,24656.223,0.0,222080.95,124535.016,40482.81,155667.05,187038.45,
2822,356.2740107357526,16.62762,area,,,,15.0,330.0,[M+NH4]+,,3.0,2837;2836;2822,338.24497,0.0,2254.4207,1477.875,3554.6736,0.0,557.6454,1537.0419,1139.5037,0.0,770.57654,214.80957,1660.4825,1304.3921,1059.3193,1443.6039,1905.3462,
2975,356.275688184103,17.00018,area,,,,24.0,349.0,[M+NH4]+,,2.0,2966;2975,338.24537,429.2018,2994.8442,2390.114,7793.3267,0.0,1261.5731,2634.8254,2366.1973,0.0,1641.6444,439.95966,3727.1672,2719.0476,1753.1926,3018.3442,3046.0574,
4680,359.06189875433256,21.681934,area,,,,172.0,509.0,[M-H+2Na]+,,3.0,4677;4680;4637,314.08625,2457.3533,0.0,0.0,0.0,10739.677,0.0,0.0,0.0,863.84753,0.0,1597.8451,0.0,0.0,213.2593,0.0,0.0,
4388,359.0641412322734,20.907333,area,,,,154.0,450.0,[M-H2O-H+2Na]+,,2.0,4388;4377,332.09543,11158.907,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
1946,359.2197890686824,13.685988,area,,,,227.0,264.0,[M+Na]+,,2.0,1946;1943,336.23092,0.0,9707.751,5276.8286,13474.128,0.0,2245.7004,5526.4155,5244.385,0.0,2004.194,0.0,45343.312,7557.734,2773.1924,32589.61,35562.316,
2445,359.2212790801896,15.578765,area,,,,257.0,297.0,[M+Na]+,,2.0,2439;2445,336.23101,842.7081,9397.324,5410.1694,10014.88,275.45914,3300.876,5740.425,4748.1035,383.15543,3290.5708,1214.5488,11226.982,7565.123,16770.309,9735.343,9116.959,
5874,360.3218423503697,23.816875,area,,,,199.0,613.0,[M+Na]+,,3.0,5874;5890;5879,337.33275,0.0,0.0,0.0,0.0,0.0,0.0,977.9186,0.0,0.0,0.0,0.0,4663.327,0.0,0.0,1476.1036,454.69403,
1582,361.23843661557447,12.338823,area,,,,104.0,230.0,[M-H2O+H]+,,2.0,1582;1570,378.24339,0.0,23864.363,2745.8037,30678.477,0.0,6176.389,9425.7295,6981.5674,209.2276,987.4786,216.30974,31365.113,11649.806,2179.7366,17862.74,20902.186,
1848,361.2480479205881,13.334726,area,,,,138.0,257.0,[M-H2O+H]+,,2.0,1851;1848,378.25339,843.3396,48162.945,24483.955,50686.2,728.3205,2907.117,18641.559,15376.571,951.8896,2571.3328,369.55035,39291.613,23818.398,3889.6802,30194.125,34036.5,
2777,363.2579668725024,16.5608,area,,,,258.0,313.0,[M+H]+,,3.0,2781;2777;2778,362.24933,1429.0356,119782.92,60903.52,143291.39,2185.8298,33941.727,71788.875,59465.902,1609.4719,34172.52,1718.6929,128771.29,79740.72,44318.742,103275.08,105171.81,
799,365.0449841039283,3.7333553,area,,,,,,,,,,,0.0,8742.32,14254.938,9520.438,0.0,11156.981,13648.385,11676.194,3014.4146,13486.052,421.83197,0.0,12244.265,13970.168,12227.103,131142.84,
1482,365.1050696608211,12.135384,area,,,,241.0,216.0,[M+Na]+,,2.0,1482;1492,342.10924,908.9185,1827.175,1796.8035,1976.2369,1575.1025,2282.3186,2479.5256,3078.5435,661.49414,2132.8076,1197.4694,1857.7704,3754.1526,3893.453,1810.1376,2016.9861,
566,365.1063883272626,2.3275793,area,,,,195.0,146.0,[M+Na]+,,2.0,549;566,342.11691,64859.41,48014.875,45326.387,42592.52,62952.13,47808.062,50315.375,48743.523,48747.76,49974.297,67734.1,46943.13,34266.043,49864.434,44400.926,54258.188,
3012,365.26659055313786,17.09106,area,,,,184.0,351.0,[M+H]+,,2.0,3011;3012,364.26415,304.59656,16727.951,7742.4224,19982.89,0.0,3918.7,10758.33,11801.521,226.43758,3823.751,0.0,17680.564,11214.952,4366.024,14520.72,15512.5205,
1995,365.27554232865776,13.88633,area,,,,33.0,269.0,[M+Na]+,,3.0,1994;1995;1996,342.28729,9480.34,7743.1865,8735.752,6910.1206,6717.1567,6158.0,9996.583,9266.445,6646.1177,11406.408,8021.9185,6523.2627,10708.503,7082.215,9090.518,11469.84,
1903,366.2494289826757,13.552024,area,,,,22.0,262.0,[M+NH4]+,,2.0,1903;1899,348.2154,6059.6675,3701.83,5147.43,3976.7297,4643.75,5569.285,5201.6885,4792.5015,5304.755,3831.773,4450.846,3419.5557,3816.9507,5037.3496,3954.921,4054.1497,
1998,366.2663312822152,13.882151,area,,,,33.0,268.0,[M+Na]+,,2.0,1998;1996,343.27367,3155.2888,2720.1416,1915.2415,2648.4844,2460.5547,2705.2646,2747.3538,2106.9412,2005.8134,3253.4668,2154.726,2557.272,2592.7341,2731.84,2929.767,3093.2532,
1308,367.2652551422504,11.546171,area,,,,16.0,195.0,[M+H]+,,2.0,1305;1308,366.25993,8481.111,6528.3184,8953.883,6421.217,8322.571,7671.947,6645.826,6211.982,7508.727,7799.931,5668.039,9501.42,9151.07,5969.138,5329.29,6251.0107,
151,368.7323072244038,1.7174658,area,,,,212.0,26.0,[M-H2O+K]+,,3.0,151;152;167,347.78286,7076.5405,6497.572,6356.4365,6514.1616,6609.9834,5903.566,6640.1084,6209.772,6696.34,6613.925,6358.258,6514.998,6433.3516,6109.763,6347.795,6159.5107,
1853,369.19735567127935,13.324591,area,,,,204.0,255.0,[M+K]+,,2.0,1840;1853,330.2371,1818.318,3557.6772,2658.8518,2669.7378,2296.6765,0.0,2540.8982,2578.6511,1000.16895,2231.9272,1198.0977,2853.2546,2111.327,1349.3662,2241.0903,3319.5334,
1468,369.2006063866853,12.059,area,,,,60.0,214.0,[M+K]+,,2.0,1469;1468,330.238,395.91846,7605.029,1122.132,8783.56,850.15564,1082.1163,5213.3525,2502.281,625.40454,791.3375,0.0,8565.668,4237.495,985.6705,7214.8223,8054.491,
1362,369.2052808586899,11.724367,area,,,,16.0,199.0,[M+K]+,,5.0,1360;1362;1370;1365;1368,330.23916,483.9226,37530.867,35378.887,42683.94,0.0,23525.688,21262.516,10138.854,819.03955,19667.152,523.5398,44755.17,25089.072,24937.334,35085.13,37333.03,
1143,369.2062646020051,10.627094,area,,,,186.0,180.0,[M+K]+,,3.0,1141;1143;1146,330.24077,0.0,65908.375,8015.5605,97971.414,0.0,4897.7793,36257.348,33788.457,0.0,2687.0696,0.0,79079.984,44058.312,5246.316,60733.45,74739.24,
152,370.7636951679722,1.7174658,area,,,,212.0,26.0,[M+Na]+,,6.0,151;154;99;152;168;167,347.78286,11410.399,10756.481,10449.9795,11579.214,10836.712,10513.639,11581.468,11490.076,10683.663,10945.67,11104.336,12261.331,10538.582,10900.651,12022.979,11715.3955,
4639,371.1020655757157,21.743097,area,,,,172.0,518.0,[M-2H2O+H]+,,2.0,4640;4639,406.10847,430177.53,24805.395,27507.98,23742.738,1089139.9,0.0,16460.645,12545.094,0.0,0.0,0.0,42370.98,29246.303,62193.297,27794.975,36038.57,
4389,371.1021017073791,20.973513,area,,,,154.0,453.0,[2M+H]+,,2.0,4389;4377,185.04633,1450690.9,19167.414,19708.88,22295.79,0.0,0.0,8693.494,8625.762,34762.93,20237.986,0.0,28757.664,18553.168,31369.828,22598.389,0.0,
5129,371.10213774331714,22.56714,area,,,,172.0,564.0,[2M+K]+,,2.0,5159;5129,166.05166,0.0,38555.344,24042.771,23256.43,0.0,82554.32,0.0,21504.258,904598.2,60152.96,0.0,59863.707,40123.58,101895.66,37756.938,50625.68,
5332,371.10230613065096,22.971188,area,,,,172.0,575.0,[M+NH4]+,,2.0,5249;5332,353.07798,44983.516,54746.08,24975.498,217120.81,73104.76,546593.8,91301.89,31618.623,105710.375,463861.94,66389.01,75588.88,47824.61,800131.2,53425.984,70645.09,
1899,371.2044198399529,13.535308,area,,,,22.0,262.0,[M+Na]+,,2.0,1903;1899,348.2154,2125.2197,2518.4927,2584.9539,3245.2412,2296.5244,2623.5186,2613.2065,2610.2368,2457.5156,2380.7021,3415.82,3006.747,2115.2837,2128.934,2396.3477,3036.7168,
1532,371.2176752916678,12.2304735,area,,,,241.0,222.0,[M+K]+,,4.0,1534;1530;1532;1531,332.2559,250.48178,16311.088,5477.6826,22708.652,0.0,3433.0732,9846.388,8767.549,0.0,2230.8408,0.0,18662.867,11597.765,4751.377,15310.988,18948.37,
1258,371.2188928294675,11.237566,area,,,,127.0,191.0,[M+K]+,,5.0,1268;1254;1256;1258;1257,332.25636,0.0,70387.23,24764.676,96184.01,0.0,15399.258,43663.92,38108.09,0.0,11498.947,213.08348,83263.82,49131.06,17606.283,66342.22,78428.88,
1067,372.1639777057495,9.811948,area,,,,,,,,,,,7184.739,670.18274,2317.8145,203.40567,6787.0615,3196.4487,2305.0378,2493.5967,7150.038,3781.8777,6680.161,487.6483,1706.397,2929.2585,1524.1262,1409.0664,
3331,372.3500888089352,17.998302,area,,,,28.0,,,,,,,20378.078,12209.345,5671.5635,17814.432,19790.693,9078.567,26089.738,9703.122,20143.453,8775.474,118784.67,16407.504,23008.15,12700.9795,9635.853,7523.323,
153,372.7624607803064,1.7174658,area,,,,212.0,76.0,[M-H2O-H+2Na]+,,2.0,153;185,345.80068,3602.3413,3120.8767,3121.0776,3589.3967,2731.4102,3121.768,3421.6707,3219.2832,3384.4346,3061.5403,4218.3657,2970.0374,3143.2327,2988.3975,3133.2896,3165.981,
1411,373.2052887425693,11.913905,area,,,,60.0,,,,,,,101252.74,9412.571,13281.471,9437.492,95784.42,14817.082,13184.264,12216.045,92893.54,14115.734,93369.96,11048.678,11415.202,14006.8,10725.045,11877.045,
906,373.5540568561815,4.864379,area,,,,,,,,,,,2761.9487,12438.766,17965.938,13145.13,3457.5435,15930.891,18965.53,193651.3,7812.5293,20791.592,2287.0017,10765.906,16982.666,0.0,193399.86,17224.37,
2439,375.1931187334785,15.57041,area,,,,257.0,297.0,[M+K]+,,2.0,2439;2445,336.23101,975.3174,3888.893,4377.7236,4596.8823,1126.9324,4238.521,2500.3499,2225.8008,1449.8757,4037.91,984.6489,4793.365,3255.4988,2852.2422,4580.6587,11547.953,
1952,375.1945793131955,13.685743,area,,,,227.0,264.0,[M+K]+,,2.0,1943;1952,336.23092,1411.7257,8228.379,3923.4255,9781.264,1529.5942,2914.2715,4140.847,4247.958,1631.6008,2208.455,691.4813,9200.775,5984.0073,3281.181,7159.357,8153.4434,
1424,375.2166687746059,11.964047,area,,,,108.0,,,,,,,21727.904,86349.69,64568.61,94410.55,25350.055,58157.863,70469.71,68415.734,21700.207,57603.242,22572.531,95361.48,74201.805,65147.105,78794.78,83859.31,
1203,375.2172500213353,11.069791,area,,,,,,,,,,,38545.402,5339.807,4540.9746,6942.13,36309.715,10063.507,6198.409,5729.7695,36260.24,9487.387,34068.484,6329.265,3162.4485,2275.9956,8933.077,9774.074,
991,375.26331814331786,8.771405,area,,,,94.0,,,,,,,61971.477,37970.293,49883.625,68213.516,76502.03,70409.664,74659.336,84797.66,85253.234,73509.08,108344.62,64230.145,60550.832,51047.918,82345.69,85823.61,
4429,376.1022409921829,21.008083,area,,,,154.0,463.0,[M+NH4]+,,2.0,4388;4429,358.06264,4856.5176,0.0,0.0,0.0,220.2453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
2832,377.2112943534806,16.622484,area,,,,15.0,330.0,[M+K]+,,4.0,2837;2836;2832;2838,338.24497,0.0,9523.416,5284.1753,24537.086,0.0,3701.0764,6615.9,6027.596,0.0,3618.1934,430.65692,12263.151,7165.0645,4652.721,8894.805,22350.871,
2978,377.2118027168826,16.992783,area,,,,24.0,349.0,[M+K]+,,4.0,2978;2964;2966;2970,338.24537,0.0,3903.448,2476.8938,5569.1465,0.0,1409.7109,3276.942,3093.64,0.0,1414.4933,243.28781,5736.1963,2690.6328,2580.0972,3866.0618,5521.7656,
1345,377.2287450089996,11.5606365,area,,,,16.0,194.0,[M+Na]+,,3.0,1281;1286;1345,354.24128,837.52905,153769.25,49923.145,174946.39,0.0,35305.74,75833.875,70555.89,243.89145,15552.857,0.0,153833.61,94076.984,38472.53,122871.91,131541.97,
1859,377.2291078352381,13.387204,area,,,,159.0,258.0,[M+Na]+,,2.0,1858;1859,354.23847,5124.8184,25696.918,25103.227,82293.92,2482.5415,15531.476,32827.875,33661.19,0.0,13336.796,996.7178,75533.17,38478.28,19746.172,42638.96,51973.652,
1603,377.2298072666836,12.434844,area,,,,43.0,,,,,,,1113.6813,31370.895,5872.672,50131.938,1065.3966,5580.7383,9414.625,9731.569,0.0,3376.7617,0.0,43312.39,28904.695,4838.725,28894.254,43551.535,
2010,379.2432925345697,14.049301,area,,,,217.0,272.0,[M+H]+,,1.0,2014,378.23931,349.9059,7879.3203,3065.731,8412.111,403.54242,1979.1942,3580.4934,3351.4487,248.8808,9346.214,201.16956,9681.865,5325.14,2053.8147,5990.816,5970.815,
186,380.7761884477157,1.7174658,area,,,,212.0,82.0,[M-2H2O+Na]+,,2.0,156;186,393.79062,10243.7,8416.943,8346.724,8369.401,9157.141,8494.673,8188.6333,8757.962,8866.689,9174.653,8967.326,8830.422,8323.272,8651.321,8796.025,7884.0786,
549,381.0798012183099,2.3192205,area,,,,195.0,146.0,[M+K]+,,2.0,566;549,342.11691,2150159.8,1490102.8,1633362.1,1462774.9,2281668.5,1701252.8,1824879.1,1750490.8,1849277.4,1735878.6,1901739.6,1515230.8,1578575.6,1705595.1,1628079.1,1675030.0,
94,381.08010796326687,1.6547832,area,,,,212.0,11.0,[M+H]+,,2.0,173;94,380.07321,2248743.8,1444570.8,1484853.2,1334238.6,945177.6,1480438.9,1384907.5,1343487.5,1663048.4,1453775.9,1350447.1,1443462.0,1422356.4,1513692.1,1443538.9,1506064.0,
1994,381.2524938176052,13.88633,area,,,,33.0,269.0,[M+K]+,,3.0,1994;1995;1996,342.28729,9965.092,22239.928,10364.326,12452.019,7914.5273,9865.978,14285.896,15539.644,9454.393,13076.557,8433.245,9247.824,15185.788,9299.102,18131.299,21493.889,
2237,383.22677500279497,14.805926,area,,,,257.0,289.0,[M+Na]+,,3.0,2237;2235;2232,360.23635,0.0,20826.547,4087.2288,24420.152,0.0,1749.3826,6358.226,2560.3125,0.0,1266.3639,0.0,20020.248,6689.8545,3376.4497,18479.281,19586.492,
1305,384.2957079467585,11.541993,area,,,,16.0,195.0,[M+NH4]+,,2.0,1305;1308,366.25993,10241.17,8944.372,9635.001,8494.6455,7706.564,6612.921,10561.801,8136.2495,8806.259,8851.267,8617.759,9504.116,6010.8906,6863.579,9349.422,9815.532,
2778,385.2424630539267,16.560658,area,,,,258.0,313.0,[M+Na]+,,2.0,2777;2778,362.24933,0.0,23195.68,10712.916,67849.84,0.0,7078.7314,26656.203,12373.334,466.2581,6208.788,1019.0608,55440.18,31014.783,9417.945,47298.75,49185.72,
154,386.74179761223405,1.7174658,area,,,,212.0,26.0,[M+K]+,,4.0,154;99;152;167,347.78286,43502.86,40556.24,38014.152,42630.11,40990.94,38858.805,39464.34,40151.02,40648.027,38941.492,43786.586,41650.164,40565.766,39373.4,40170.996,41110.71,
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951,388.2538574887509,6.955273,area,,,,,,,,,,,444.77234,0.0,0.0,1878.9309,0.0,845.57117,239.07947,595.9974,0.0,392.4963,627.8441,461.8149,9073.075,885.8895,672.1255,413.7961,
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1570,401.23102210884775,12.35391,area,,,,104.0,230.0,[M+Na]+,,3.0,1582;1557;1570,378.24339,231.71184,66891.58,18148.855,87480.984,0.0,10297.226,32854.43,26835.867,0.0,7680.8677,0.0,74185.41,38477.617,11841.589,56226.76,64039.46,
2014,401.2318168591855,14.036764,area,,,,217.0,272.0,[M+Na]+,,2.0,2010;2014,378.23931,569.4916,18080.059,7779.2017,20228.355,1297.29,3518.8794,9287.166,7309.071,745.8521,4569.6787,858.4865,22007.463,10823.857,5413.7734,13078.255,17691.45,
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5942,415.0397273416439,23.835144,area,,,,199.0,614.0,[2M-2H2O-H+2Na]+,,2.0,5821;5942,203.04894,5916.258,3532.622,1997.1665,20876.188,3653.9045,26187.846,5919.421,0.0,2222.4119,3447.274,2963.8845,16956.066,1277.4364,48534.832,377.1617,15276.609,
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193,424.7116336427053,1.6882148,area,,,,212.0,33.0,[2M+H]+,,3.0,102;147;193,211.85288,2015.3059,1932.1439,1748.0193,1799.7635,1745.8921,1381.9905,1611.704,1430.1976,1783.7142,1213.1855,1678.3772,1799.3572,1724.3187,1728.3793,1600.6227,1963.0741,
3874,424.8197311303056,19.452562,area,,,,3.0,422.0,[M-H2O+NH4]+,,2.0,3897;3874,424.79821,9285.661,8128.09,8330.235,9864.694,9634.063,6989.718,7171.1973,6292.074,8247.8955,7066.4414,8437.509,7992.948,6382.5386,8406.154,8792.765,9203.297,
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4640,429.09024076507205,21.735868,area,,,,172.0,518.0,[M+Na]+,,2.0,4640;4639,406.10847,190179.44,4736.8525,3921.4233,4770.292,221218.94,4701.32,2694.806,2705.1096,18127.566,6124.1836,17536.035,6863.8447,0.0,8681.534,4803.3184,2246.3945,
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1199,430.2965920178056,11.04472,area,,,,127.0,184.0,[M-2H2O+H]+,,2.0,1195;1199,465.31065,12392.482,21227.703,10500.395,10019.896,22862.398,11405.095,22345.766,23714.812,23210.494,10527.977,10333.33,9933.795,22886.936,11100.896,21501.162,22697.309,
3790,430.3844125139044,19.231071,area,,,,191.0,419.0,[M-H2O+NH4]+,,2.0,3790;3805,430.3607,9592.347,3913.7861,3046.311,8937.485,5781.927,3429.5205,8938.818,4664.441,5168.946,3596.7793,6533.474,6136.5,3551.2766,4346.6797,3633.3193,4326.356,
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170,470.71001937801793,1.7174658,area,,,,212.0,28.0,[M-H2O+H]+,,2.0,170;130,487.71242,21763.184,22080.523,17309.006,23021.457,21978.342,20355.936,20671.902,20628.88,19895.525,20950.33,19353.775,19682.57,20847.045,18465.002,17717.723,21236.324,
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160,472.7043112622697,1.7174658,area,,,,212.0,94.0,[M+K]+,,3.0,157;184;160,433.74395,10333.884,9467.18,8577.232,9573.103,9303.701,8526.659,9359.892,9803.727,8843.027,8768.443,8945.423,9492.239,9334.217,9166.049,9735.292,9216.42,
558,472.882601279403,2.3192205,area,,,,195.0,150.0,[M+K]+,,2.0,558;537,433.91923,21844.12,5053.5825,11861.243,4037.784,51723.83,17945.172,14780.035,13647.549,23337.146,17208.803,23398.871,4935.4136,8264.824,17954.6,12538.151,12315.117,
2618,473.2689544535642,16.03008,area,,,,7.0,305.0,[2M-H+2Na]+,,2.0,2639;2618,214.14973,3226.5469,1925.056,2390.6528,2214.5903,3726.415,2355.3594,2186.2368,2070.3079,3537.2014,1545.9298,3792.1355,2055.6455,1477.4573,1926.4067,3080.1113,2492.5427,
6421,475.28614694187456,24.707577,area,,,,92.0,652.0,[M-2H2O+H]+,,2.0,6420;6421,510.30114,4654.3037,3358.9744,0.0,710.0627,6694.884,4494.489,4248.6626,0.0,4601.1807,0.0,6361.4165,2038.9529,7366.204,4328.3564,7083.461,10313.894,
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970,476.307491552028,7.7726626,area,,,,,,,,,,,886.9678,1480.6637,1575.146,1979.2257,1263.779,1535.1422,1434.6373,1478.8756,1279.4446,1829.5159,1172.9436,1653.4156,9421.186,1475.3844,1732.2878,1581.4368,
2912,478.29472683875446,16.870054,area,,,,99.0,345.0,[M+H]+,,2.0,2909;2912,477.28795,133275.25,132106.44,128993.15,122929.22,139310.47,158035.94,150691.33,162063.62,133604.75,126737.92,126551.14,113413.67,151507.05,156935.03,138411.38,147903.97,
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3705,478.33255613654256,18.980343,area,,,,19.0,413.0,[M-H2O+H]+,,3.0,3700;3698;3705,495.33568,7183.5903,2760.2803,9604.478,6717.383,8546.191,11282.541,10278.116,9501.699,13904.137,9509.474,6483.461,9327.042,9418.004,5808.97,8670.442,7718.6694,
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4370,482.32788082551616,20.906813,area,,,,154.0,443.0,[M+H]+,,3.0,4371;4373;4370,481.31991,147085.83,130219.9,137657.78,181357.83,211612.52,182956.86,159914.45,138511.45,196287.67,163114.06,201686.58,137784.81,138256.16,211914.98,152805.81,187491.6,
4169,482.3280492547681,20.171303,area,,,,229.0,435.0,[M+H]+,,2.0,4166;4169,481.32361,18605.506,20810.305,21038.729,30233.85,22395.906,20732.76,21627.646,19853.049,22559.207,23157.521,21803.633,22337.73,21065.209,22666.178,25431.076,28404.217,
1356,483.1531992645285,11.6913,area,,,,16.0,198.0,[M+K]+,,2.0,1369;1356,444.19027,0.0,5773.9136,3834.168,4731.7544,0.0,914.4057,4968.9224,3401.92,0.0,493.85852,0.0,4042.806,2735.0425,1227.3921,5484.2744,5680.522,
1970,483.3515324731868,13.73589,area,,,,227.0,267.0,[M+H]+,,1.0,1968,482.34442,2963.391,3441.9578,2905.736,3470.628,3547.1938,3553.4111,3359.767,3514.5032,3640.8655,3149.0762,3766.988,3419.2153,3219.6836,3560.4917,3318.385,3600.6875,
2384,484.3492201356843,15.290432,area,,,,18.0,295.0,[M+NH4]+,,2.0,2384;2403,466.31348,10343.939,14412.537,14261.031,8672.947,12864.727,10179.049,6960.9697,11300.035,14193.911,6940.1074,16974.7,6570.6655,8669.036,15240.039,13932.506,10680.336,
311,484.7183697261078,1.8511916,area,,,,212.0,110.0,[M+K]+,,3.0,325;311;349,445.75481,56459.656,35439.246,30457.467,37633.926,55862.96,36347.37,30481.23,30252.61,53577.234,54704.125,54360.887,31609.566,31077.96,29984.324,31645.703,31598.701,
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2403,489.30078169628126,15.332221,area,,,,18.0,295.0,[M+Na]+,,2.0,2384;2403,466.31348,639.83435,1159.139,1171.4707,1307.7661,876.3092,895.9469,920.1096,1443.5691,711.8032,247.01364,736.3203,918.2101,1023.9752,1482.6582,853.73267,1358.2991,
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606,496.83920786339183,2.5114646,area,,,,195.0,157.0,[M+NH4]+,,2.0,606;609,478.80631,4793.658,3031.196,1471.9055,1849.5859,1666.1614,2406.8953,1421.987,1407.7188,1663.659,2023.7518,1869.2238,3048.9202,1464.2198,728.38245,1428.5596,1307.3451,
2909,500.2776603696482,16.865866,area,,,,99.0,345.0,[M+Na]+,,2.0,2909;2912,477.28795,8241.785,9007.226,9256.939,9912.508,8249.933,8774.373,8996.9,10638.415,8883.019,8100.8613,8454.575,8063.341,10376.214,9843.502,9167.039,11430.642,
3052,500.27782037409423,17.229397,area,,,,223.0,354.0,[M+Na]+,,2.0,3048;3052,477.28813,6376.344,8760.891,9030.625,11147.877,6993.441,8597.023,10562.523,10741.734,7875.461,8408.825,7001.3213,9447.854,9775.209,8979.764,11980.336,13012.485,
1968,500.3806317946271,13.752606,area,,,,227.0,267.0,[M+NH4]+,,3.0,1968;1965;1970,482.34442,57460.8,52198.766,46720.113,44047.72,50777.652,54322.555,53106.918,47999.246,50273.28,48194.902,48647.56,50275.375,53966.188,50474.49,48880.53,49305.863,
550,501.0394006301939,2.3192205,area,,,,195.0,140.0,[M+Na]+,,2.0,550;551,478.05028,17488.209,16710.596,15707.129,15338.753,14874.438,15665.141,16444.186,15606.956,15284.683,15490.164,14934.426,16559.32,16213.066,16759.738,15860.675,17227.889,
2935,502.2943707619105,16.920177,area,,,,76.0,346.0,[M+H]+,,2.0,2934;2935,501.28749,327551.2,374223.75,341911.03,342579.66,390121.97,373426.5,399700.03,412506.53,344973.3,317843.25,345060.66,327279.34,420363.56,419612.12,370894.06,421322.53,
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1195,504.2745775121658,11.040541,area,,,,127.0,184.0,[M+K]+,,3.0,1201;1195;1199,465.31065,1358.9077,920.2179,3034.427,1257.8793,1380.9863,1084.1252,1173.9539,1460.9624,1410.4265,1231.9615,1451.2676,949.88135,1059.8359,1233.9167,1446.6511,1152.5321,
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3349,504.3116079680068,18.031729,area,,,,28.0,388.0,[M-H2O+K]+,,2.0,3352;3349,483.35387,14770.708,33376.965,27729.197,39914.727,16932.594,23435.744,26871.592,30986.736,17384.668,21002.453,16256.678,35231.395,33458.223,23664.734,38158.145,38871.055,
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1965,505.331403324882,13.744249,area,,,,227.0,267.0,[M+Na]+,,2.0,1968;1965,482.34442,4231.292,3476.5107,4437.3936,4344.9907,4376.885,3154.5527,3616.6775,3472.7827,4701.9575,4134.051,3181.7275,3354.68,3576.749,3179.2026,2932.7485,3604.969,
3352,506.3379421885993,18.00249,area,,,,28.0,388.0,[M+Na]+,,2.0,3352;3349,483.35387,1290.533,3006.5698,2125.7358,3215.9172,2076.1433,2305.0398,2333.429,2970.4778,2186.4448,2343.1304,1946.1243,3226.8977,3044.4214,3371.6082,3156.888,3497.3142,
2714,506.3528462833414,16.38946,area,,,,77.0,309.0,[M-H2O+H]+,,3.0,2714;2716;2715,523.36284,1304.1757,13025.153,12968.952,2352.9216,11206.823,9130.018,8236.219,14253.909,5886.416,9436.327,6342.1016,2342.3408,10061.148,10935.272,2909.5483,2490.4697,
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PEPMASS=419.2408
CHARGE=1
COLLISION_ENERGY=0.0
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151.0476 260.0
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END IONS
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PEPMASS=0.0
CHARGE=1
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END IONS
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CHARGE=1
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CHARGE=1
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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PEPMASS=0.0
CHARGE=1
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PEPMASS=325.171
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=0.0
CHARGE=1
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PEPMASS=628.2611
CHARGE=1
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=1
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END IONS
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PEPMASS=0.0
CHARGE=1
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END IONS
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PEPMASS=335.1012
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=295.2253
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
SCANS=1499
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
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PEPMASS=305.6291
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COLLISION_ENERGY=0.0
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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COLLISION_ENERGY=0.0
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CHARGE=1
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PEPMASS=0.0
CHARGE=1
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PEPMASS=0.0
CHARGE=1
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SCANS=1568
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=1569
PEPMASS=0.0
CHARGE=1
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SCANS=1570
PEPMASS=401.231
CHARGE=1
COLLISION_ENERGY=0.0
102.0348 270.0
106.0645 280.0
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315.1711 230.0
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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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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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SCANS=1579
PEPMASS=329.6132
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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=1587
PEPMASS=0.0
CHARGE=1
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SCANS=1588
PEPMASS=0.0
CHARGE=1
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=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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PEPMASS=0.0
CHARGE=1
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
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=1602
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=1603
PEPMASS=377.2298
CHARGE=1
COLLISION_ENERGY=0.0
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104.0513 530.0
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440.0829 270.0
END IONS
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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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COLLISION_ENERGY=0.0
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SCANS=1606
PEPMASS=0.0
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SCANS=1607
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=1608
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1609
PEPMASS=633.9967
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END IONS
BEGIN IONS
SCANS=1647
PEPMASS=612.2658
CHARGE=1
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1836
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1837
PEPMASS=401.2301
CHARGE=1
COLLISION_ENERGY=0.0
107.0867 210.0
117.0658 340.0
129.0701 250.0
130.0698 200.0
131.0849 330.0
157.0993 260.0
158.1052 260.0
165.0697 530.0
184.0728 340.0
206.8182 210.0
END IONS
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SCANS=1838
PEPMASS=0.0
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END IONS
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SCANS=1839
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SCANS=1840
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SCANS=1841
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SCANS=1842
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COLLISION_ENERGY=0.0
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SCANS=1843
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SCANS=1844
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1845
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1846
PEPMASS=0.0
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SCANS=1847
PEPMASS=0.0
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SCANS=1848
PEPMASS=0.0
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SCANS=1849
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1850
PEPMASS=0.0
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SCANS=1851
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1852
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COLLISION_ENERGY=0.0
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SCANS=1853
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SCANS=1854
PEPMASS=0.0
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SCANS=1855
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1856
PEPMASS=0.0
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SCANS=1857
PEPMASS=0.0
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SCANS=1858
PEPMASS=0.0
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SCANS=1859
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1860
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COLLISION_ENERGY=0.0
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SCANS=1861
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1862
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1863
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1864
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1865
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1866
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1867
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1868
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1869
PEPMASS=922.013
CHARGE=1
COLLISION_ENERGY=0.0
104.0267 490.0
104.97 310.0
106.9676 990.0
107.981 1000.0
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111.9764 4400.0
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113.9417 320.0
115.0145 1800.0
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125.9882 1200.0
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164.9578 1500.0
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237.9622 2500.0
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769.9834 1900.0
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924.0159 1300.0
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925.0123 250.0
961.8301 210.0
END IONS
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SCANS=1870
PEPMASS=0.0
CHARGE=1
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SCANS=1871
PEPMASS=0.0
CHARGE=1
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END IONS
BEGIN IONS
SCANS=1872
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1873
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1874
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1875
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1876
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1877
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1878
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1879
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1880
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1881
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1882
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1883
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1884
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1885
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1886
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1887
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1888
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1889
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1890
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1891
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1892
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1893
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1894
PEPMASS=0.0
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SCANS=1895
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=1896
PEPMASS=0.0
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SCANS=1897
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1898
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1899
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1900
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1901
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1902
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1903
PEPMASS=0.0
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END IONS
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SCANS=1904
PEPMASS=640.3203
CHARGE=1
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100.1753 420.0
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END IONS
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SCANS=1906
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SCANS=1907
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END IONS
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SCANS=1908
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END IONS
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SCANS=1909
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1910
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1911
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1912
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END IONS
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SCANS=1913
PEPMASS=0.0
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END IONS
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SCANS=1914
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1915
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CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=1916
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END IONS
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SCANS=1917
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END IONS
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SCANS=1918
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SCANS=1919
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1920
PEPMASS=0.0
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END IONS
BEGIN IONS
SCANS=1921
PEPMASS=0.0
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END IONS
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SCANS=1922
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BEGIN IONS
SCANS=1923
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=1924
PEPMASS=0.0
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SCANS=1925
PEPMASS=0.0
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SCANS=1926
PEPMASS=0.0
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SCANS=1927
PEPMASS=0.0
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SCANS=1928
PEPMASS=0.0
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SCANS=1929
PEPMASS=0.0
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BEGIN IONS
SCANS=1930
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1931
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1932
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1933
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1934
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1935
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1936
PEPMASS=816.4261
CHARGE=1
COLLISION_ENERGY=0.0
100.0478 5400.0
100.2471 200.0
101.0662 400.0
104.1053 340.0
110.0693 1900.0
111.0786 310.0
112.1127 280.0
113.0843 260.0
120.0782 1800.0
121.0707 320.0
122.071 370.0
123.0672 270.0
124.0728 230.0
124.9991 1000.0
129.1008 260.0
130.0669 230.0
130.0989 290.0
137.0687 260.0
141.1002 400.0
143.0697 310.0
143.1161 320.0
152.0824 540.0
159.0911 630.0
162.9515 200.0
166.0667 380.0
169.094 530.0
172.1178 240.0
173.1115 200.0
177.0738 460.0
178.1323 570.0
184.0744 1500.0
185.0766 460.0
187.1008 350.0
192.1166 250.0
197.1058 340.0
201.1438 250.0
203.0851 210.0
209.1085 260.0
220.1069 220.0
221.1277 1100.0
222.0966 210.0
223.0757 260.0
223.1514 220.0
225.0996 330.0
226.1107 480.0
234.1221 850.0
236.1148 320.0
245.1684 200.0
251.1494 1300.0
263.1194 230.0
274.0823 330.0
275.0977 230.0
282.1868 220.0
285.591 220.0
289.1048 260.0
302.1564 390.0
305.1219 250.0
320.1715 370.0
321.1703 260.0
337.1158 280.0
337.1849 240.0
338.1872 640.0
368.2299 250.0
374.2193 260.0
384.1976 400.0
398.1796 280.0
433.2718 220.0
464.2397 260.0
465.1853 260.0
507.2876 410.0
773.2955 250.0
END IONS
BEGIN IONS
SCANS=1937
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1938
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1939
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1940
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1941
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1942
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1943
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1944
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1945
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1946
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1947
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1948
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1949
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1950
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1951
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1952
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1953
PEPMASS=922.013
CHARGE=1
COLLISION_ENERGY=0.0
103.0041 340.0
103.9857 210.0
104.0287 330.0
106.9671 580.0
107.9831 260.0
108.0196 200.0
110.9801 220.0
111.9746 1900.0
115.0122 730.0
116.0307 590.0
122.9845 390.0
123.975 210.0
125.9913 840.0
129.938 310.0
132.9971 1200.0
133.0588 320.0
133.9804 370.0
134.015 260.0
134.9896 420.0
135.9751 490.0
136.0695 240.0
137.9887 200.0
138.1259 280.0
139.9854 330.0
146.0201 640.0
146.9386 200.0
149.9531 2700.0
153.0003 1300.0
153.9909 630.0
154.9994 1800.0
155.9822 5100.0
156.9907 240.0
159.086 470.0
161.0336 1100.0
162.9636 250.0
164.9611 890.0
165.9412 920.0
166.0268 2500.0
166.9507 420.0
167.0277 460.0
167.0689 300.0
167.9402 4800.0
169.1311 440.0
173.01 210.0
173.9917 740.0
175.0806 270.0
175.9872 7300.0
176.9719 720.0
177.9837 1400.0
184.0697 490.0
184.9648 510.0
185.9481 1000.0
186.0333 810.0
187.0744 270.0
187.1444 210.0
187.9476 450.0
189.0047 240.0
189.0698 230.0
190.9535 210.0
191.9567 230.0
192.9648 200.0
194.9741 300.0
197.978 200.0
199.0607 220.0
202.1651 260.0
203.0762 250.0
208.9614 480.0
209.951 340.0
210.9406 600.0
211.9456 1800.0
212.9191 1800.0
215.1099 260.0
215.9686 620.0
216.9558 2600.0
218.9632 260.0
221.9509 1000.0
222.964 280.0
223.012 260.0
224.9106 290.0
224.95 230.0
225.9326 1100.0
226.9232 350.0
227.9274 5600.0
228.9102 3100.0
229.9215 27000.0
230.1221 240.0
230.9223 1200.0
231.9185 760.0
232.9206 1500.0
233.9104 440.0
234.9153 680.0
234.9588 570.0
235.0031 390.0
235.9767 1100.0
236.959 6200.0
237.9558 1000.0
238.9557 6500.0
239.958 320.0
240.9733 260.0
243.931 220.0
244.9374 260.0
245.9386 730.0
246.9207 910.0
247.0056 1100.0
247.9392 2300.0
248.9176 6100.0
248.9906 2000.0
249.9245 3700.0
250.9131 12000.0
251.122 240.0
254.9612 300.0
255.9105 250.0
256.9649 560.0
257.9449 910.0
258.9598 1100.0
259.9405 3300.0
260.9494 260.0
261.956 620.0
264.9416 260.0
267.0129 620.0
268.9202 260.0
269.9752 500.0
270.9258 580.0
271.9369 270.0
272.0019 240.0
276.9766 390.0
277.9375 760.0
279.9592 450.0
287.9983 540.0
289.9473 220.0
291.9348 830.0
292.9268 740.0
294.9265 210.0
297.9315 1300.0
298.9102 430.0
299.9304 7300.0
300.9312 270.0
301.9245 1700.0
302.9267 270.0
303.9367 250.0
304.9191 420.0
309.9707 310.0
317.9375 1800.0
318.922 770.0
319.9339 9000.0
320.9183 5200.0
321.12 240.0
321.9282 24000.0
322.2265 300.0
322.3697 230.0
322.6557 280.0
322.9404 1000.0
324.9432 310.0
327.9733 640.0
328.9681 1100.0
329.9772 1500.0
330.9691 1200.0
331.9738 1000.0
337.9437 450.0
338.9382 260.0
339.0143 220.0
339.9392 4200.0
340.9286 3100.0
341.9351 6400.0
342.9235 4600.0
343.9293 240.0
344.9503 270.0
346.9406 380.0
347.9895 450.0
348.9738 1200.0
349.9792 1200.0
350.9751 840.0
351.9373 610.0
352.9534 320.0
358.9369 420.0
359.0121 340.0
359.9474 900.0
360.9322 1100.0
361.9352 1200.0
362.9312 1700.0
363.9438 250.0
368.9804 460.0
369.9419 420.0
370.9823 840.0
371.951 350.0
379.0269 860.0
382.9294 210.0
388.9746 240.0
389.9632 650.0
391.9518 590.0
393.9513 250.0
399.1294 220.0
403.9576 460.0
404.9432 380.0
409.9558 510.0
411.9453 3800.0
412.9495 520.0
413.9332 2600.0
414.9648 220.0
416.9279 270.0
421.9695 230.0
423.9454 270.0
429.9584 470.0
431.9487 6400.0
432.9368 1200.0
433.9426 11000.0
434.9492 940.0
435.9374 220.0
436.9394 850.0
437.9647 520.0
440.0016 250.0
441.9894 800.0
442.9831 480.0
450.9524 380.0
451.9556 3500.0
452.9413 1100.0
453.9501 10000.0
454.366 200.0
454.9361 7200.0
455.9503 370.0
456.9505 750.0
458.9428 510.0
459.9912 250.0
460.9865 450.0
461.9936 700.0
462.9972 590.0
470.9568 310.0
471.9657 760.0
472.9412 1200.0
473.9542 840.0
474.9398 830.0
482.9998 400.0
483.9333 210.0
483.9893 220.0
484.9772 330.0
491.9532 260.0
495.9688 680.0
499.2632 260.0
501.951 300.0
503.9493 510.0
515.9636 800.0
519.9623 260.0
523.9529 2600.0
524.2168 230.0
524.953 330.0
525.9548 1100.0
537.9655 240.0
541.9495 290.0
542.9948 250.0
543.9609 4700.0
544.9673 890.0
545.9565 8300.0
546.9551 2000.0
547.9688 760.0
553.011 310.0
554.009 350.0
563.9661 3400.0
564.9595 550.0
565.9642 18000.0
566.2665 320.0
566.4158 250.0
566.551 250.0
566.7692 210.0
566.9527 6200.0
567.1644 270.0
567.9543 1600.0
568.9378 210.0
569.9926 290.0
570.9555 510.0
575.9897 510.0
584.9499 480.0
586.9459 490.0
593.9579 290.0
607.9822 260.0
625.9728 380.0
627.9828 470.0
629.3312 220.0
635.9684 1400.0
637.9655 390.0
638.9727 220.0
649.9747 350.0
655.9728 2200.0
656.9846 450.0
657.9712 5700.0
658.974 570.0
659.9867 470.0
675.9835 2200.0
676.9717 480.0
677.9784 27000.0
678.6895 230.0
678.9739 5300.0
679.4182 270.0
679.8181 320.0
679.9797 1200.0
681.0364 220.0
683.9905 210.0
695.9965 230.0
697.981 320.0
698.9722 250.0
769.9885 1600.0
789.9916 32000.0
791.0022 6700.0
791.7254 220.0
791.9943 1900.0
792.1754 360.0
807.9971 1400.0
901.9721 260.0
922.0104 22000.0
923.0124 5300.0
924.0203 1000.0
924.3712 260.0
924.6985 200.0
END IONS
BEGIN IONS
SCANS=1954
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1955
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1956
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1957
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1958
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1959
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1960
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1961
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1962
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1963
PEPMASS=290.2674
CHARGE=1
COLLISION_ENERGY=0.0
108.0745 200.0
114.0332 480.0
134.8904 470.0
135.046 250.0
150.0368 260.0
191.0806 210.0
END IONS
BEGIN IONS
SCANS=1964
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1965
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1966
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1967
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1968
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1969
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1970
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1971
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1972
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1973
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1974
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1975
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1976
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1977
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1978
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1979
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1980
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1981
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1982
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1983
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1984
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1985
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1986
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1987
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1988
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1989
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1990
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1991
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1992
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1993
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1994
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1995
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1996
PEPMASS=343.2935
CHARGE=1
COLLISION_ENERGY=0.0
104.0652 260.0
111.0892 260.0
115.0532 660.0
116.0613 220.0
117.068 530.0
121.058 260.0
123.0771 260.0
125.0003 270.0
127.0574 340.0
128.0593 420.0
128.1042 280.0
130.0737 240.0
131.0805 240.0
171.1165 280.0
291.0353 210.0
END IONS
BEGIN IONS
SCANS=1997
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1998
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=1999
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2000
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2001
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2002
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2003
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2004
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2005
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2006
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2007
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2008
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2009
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2010
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2011
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2012
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2013
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2014
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2015
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2016
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2017
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2018
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2019
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2020
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2021
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2022
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2023
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2024
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2025
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2026
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2027
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2028
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2029
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2030
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2031
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2032
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2033
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2034
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2035
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2036
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2037
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2038
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2039
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2040
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2041
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=2042
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COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3640
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3641
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3642
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3643
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3644
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3645
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3646
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3647
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3648
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3649
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3650
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3651
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3652
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3653
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3654
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3655
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3656
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3657
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3658
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3659
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3660
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3661
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3662
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3663
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3664
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3665
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3666
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3667
PEPMASS=270.3159
CHARGE=1
COLLISION_ENERGY=0.0
115.0525 250.0
116.0607 240.0
117.0536 240.0
128.0601 760.0
142.0721 260.0
152.0608 200.0
153.0668 280.0
165.0678 470.0
168.0943 220.0
END IONS
BEGIN IONS
SCANS=3668
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3669
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3670
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3671
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3672
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3673
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3674
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3675
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3676
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3677
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3678
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3679
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3680
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3681
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3682
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3683
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3684
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3685
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3686
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3687
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3688
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3689
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3690
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3691
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3692
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3693
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3694
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3695
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3696
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3697
PEPMASS=496.3412
CHARGE=1
COLLISION_ENERGY=0.0
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100.1226 590.0
100.1614 350.0
100.2157 320.0
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100.3469 220.0
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103.3853 300.0
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104.1074 520000.0
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105.1102 42000.0
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106.1126 2900.0
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136.9969 900.0
139.0036 210.0
143.0848 360.0
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158.1044 210.0
163.0162 830.0
164.02 250.0
166.0625 69000.0
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166.7215 260.0
167.065 6400.0
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309.3254 240.0
324.0458 230.0
657.9806 260.0
660.1193 200.0
799.9565 260.0
END IONS
BEGIN IONS
SCANS=3698
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3699
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3700
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3701
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3702
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3703
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3704
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3705
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3706
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3707
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3708
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3709
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3710
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3711
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3712
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3713
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3714
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3715
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3716
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3717
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3718
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3719
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3720
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3721
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3722
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3723
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3724
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3725
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3726
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3727
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3728
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3729
PEPMASS=522.3572
CHARGE=1
COLLISION_ENERGY=0.0
100.0473 420.0
100.9893 1400.0
104.1068 29000.0
104.2375 260.0
104.4247 280.0
104.4583 200.0
104.5567 280.0
105.0688 880.0
105.1085 1900.0
106.9882 460.0
107.0874 1700.0
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120.0811 210.0
121.094 460.0
124.2454 210.0
124.4221 260.0
124.9997 260000.0
125.607 770.0
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125.9026 280.0
126.0032 9700.0
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127.0053 3000.0
129.0707 310.0
135.112 350.0
142.0747 240.0
151.036 250.0
156.0813 290.0
159.1101 260.0
164.9538 230.0
166.0625 16000.0
166.5186 240.0
167.0696 1200.0
171.1091 230.0
183.1126 330.0
184.0724 30000.0
184.3592 270.0
185.0753 2400.0
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187.093 370.0
207.0349 250.0
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219.1121 200.0
240.1466 220.0
244.0863 220.0
279.0858 240.0
296.1101 230.0
END IONS
BEGIN IONS
SCANS=3730
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3731
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3732
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3733
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3734
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3735
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3736
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3737
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3738
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3739
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3740
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3741
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3742
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3743
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3744
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3745
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3746
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3747
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3748
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3749
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3750
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3751
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3752
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3753
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3754
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3755
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3756
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3757
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3758
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3759
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3760
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3761
PEPMASS=782.5695
CHARGE=1
COLLISION_ENERGY=0.0
100.9864 580.0
102.0899 330.0
104.107 110000.0
105.0702 4300.0
105.1084 7900.0
106.0759 450.0
106.9928 1900.0
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116.0631 350.0
119.083 2000.0
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133.1001 1300.0
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145.0971 290.0
146.9819 4000.0
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183.3299 650.0
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183.6685 970.0
183.7374 1000.0
184.0723 2800000.0
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184.9315 320.0
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188.0998 360.0
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191.0634 280.0
276.6976 280.0
313.2755 810.0
339.2937 290.0
END IONS
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SCANS=3762
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3763
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3764
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3765
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3766
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3767
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3768
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=3769
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3771
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=3772
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3773
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3774
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3775
PEPMASS=703.5716
CHARGE=0
COLLISION_ENERGY=0.0
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END IONS
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PEPMASS=0.0
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END IONS
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SCANS=3778
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=3779
PEPMASS=0.0
CHARGE=1
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END IONS
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SCANS=3780
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3781
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CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3782
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3783
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3784
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3785
PEPMASS=806.5691
CHARGE=1
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END IONS
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PEPMASS=0.0
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CHARGE=1
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END IONS
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CHARGE=1
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END IONS
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PEPMASS=0.0
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END IONS
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PEPMASS=0.0
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SCANS=3795
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END IONS
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SCANS=3796
PEPMASS=0.0
CHARGE=1
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END IONS
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SCANS=3797
PEPMASS=0.0
CHARGE=1
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END IONS
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SCANS=3798
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3799
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3800
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3801
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3802
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3803
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3804
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3805
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3806
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3807
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3808
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3809
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3810
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3811
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3812
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3813
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=3814
PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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SCANS=3815
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=3816
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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SCANS=3819
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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PEPMASS=0.0
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SCANS=3821
PEPMASS=0.0
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PEPMASS=0.0
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SCANS=3823
PEPMASS=0.0
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PEPMASS=784.5851
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COLLISION_ENERGY=0.0
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SCANS=3827
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=3828
PEPMASS=0.0
CHARGE=1
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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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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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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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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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
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3839
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3840
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=3841
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=3842
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3843
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3844
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3845
PEPMASS=0.0
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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
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3848
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3849
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3850
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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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COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=3855
PEPMASS=807.5727
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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=3866
PEPMASS=782.5695
CHARGE=1
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SCANS=3981
PEPMASS=522.3574
CHARGE=1
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PEPMASS=0.0
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PEPMASS=0.0
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323.0099 1300.0
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400.98 840.0
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540.9949 210.0
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END IONS
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SCANS=4425
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SCANS=4426
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SCANS=4427
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SCANS=4428
PEPMASS=0.0
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PEPMASS=0.0
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SCANS=4432
PEPMASS=0.0
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SCANS=4433
PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=0.0
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SCANS=4442
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SCANS=4444
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SCANS=4445
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SCANS=4448
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SCANS=4449
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PEPMASS=0.0
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PEPMASS=0.0
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SCANS=4454
PEPMASS=0.0
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SCANS=4455
PEPMASS=768.5562
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101.0949 250.0
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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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PEPMASS=0.0
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COLLISION_ENERGY=0.0
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PEPMASS=0.0
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SCANS=4475
PEPMASS=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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COLLISION_ENERGY=0.0
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=4481
PEPMASS=0.0
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COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=4484
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=4485
PEPMASS=716.5227
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832.0857 250.0
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PEPMASS=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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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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COLLISION_ENERGY=0.0
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
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SCANS=4493
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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SCANS=4496
PEPMASS=0.0
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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
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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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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
CHARGE=1
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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=744.5559
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PEPMASS=0.0
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PEPMASS=768.5563
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SCANS=4771
PEPMASS=740.5248
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PEPMASS=924.2713
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SCANS=5845
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SCANS=5848
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SCANS=5890
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SCANS=5911
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SCANS=5915
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SCANS=5916
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SCANS=5919
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SCANS=5924
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SCANS=5925
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SCANS=5927
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SCANS=5928
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SCANS=5940
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=6219
PEPMASS=0.0
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END IONS
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SCANS=6220
PEPMASS=0.0
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PEPMASS=0.0
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SCANS=6224
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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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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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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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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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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PEPMASS=0.0
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PEPMASS=0.0
CHARGE=1
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PEPMASS=776.2357
CHARGE=1
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PEPMASS=0.0
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PEPMASS=536.1736
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PEPMASS=0.0
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PEPMASS=0.0
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PEPMASS=610.1884
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
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END IONS
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SCANS=6302
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6304
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6305
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6306
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6307
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6308
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6309
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6310
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6311
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6312
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6313
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6314
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6315
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6316
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6317
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6318
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6319
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6320
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6321
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6322
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6323
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6324
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6325
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6326
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6327
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6328
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6329
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6330
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6331
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6332
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6333
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
BEGIN IONS
SCANS=6334
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6335
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6336
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6337
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6338
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6339
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6340
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6341
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6342
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6343
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6344
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6345
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
END IONS
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SCANS=6346
PEPMASS=768.5563
CHARGE=1
COLLISION_ENERGY=0.0
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341.3042 1500.0
342.2963 270.0
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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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COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
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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COLLISION_ENERGY=0.0
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CHARGE=1
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
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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SCANS=6380
PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=0.0
CHARGE=1
COLLISION_ENERGY=0.0
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PEPMASS=782.5695
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END IONS
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PEPMASS=0.0
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PEPMASS=0.0
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COLLISION_ENERGY=0.0
END IONS
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PEPMASS=807.5732
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END IONS
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END IONS
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PEPMASS=786.6011
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100.9885 1900.0
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200.0609 4.6E2
END IONS
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END IONS
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106.0582 2.2E2
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116.0589 2.4E2
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END IONS
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101.9747 2.6E2
102.9410 1.2E3
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106.9469 5.2E2
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END IONS
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114.0449 5.8E2
115.0532 5.5E3
116.0592 1.6E3
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END IONS
BEGIN IONS
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102.9258 8.5E2
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END IONS
BEGIN IONS
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100.9951 1.4E3
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END IONS
BEGIN IONS
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104.0665 2.6E2
108.9800 3.7E2
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225.0628 2.0E2
END IONS
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118.9198 2.6E2
122.9343 4.9E2
134.8945 7.0E2
165.9248 2.2E2
END IONS
BEGIN IONS
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155.0775 2.4E2
END IONS
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232.0768 2.2E2
END IONS
BEGIN IONS
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100.0243 2.2E3
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END IONS
BEGIN IONS
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115.0525 2.5E2
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142.0721 2.6E2
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168.0943 2.2E2
END IONS
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MSLEVEL=2
100.0316 4.3E2
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END IONS
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END IONS
BEGIN IONS
FEATURE_ID=995
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END IONS
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FEATURE_ID=2628
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END IONS
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MSLEVEL=2
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184.8971 1.2E3
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917.3235 2.6E2
END IONS
BEGIN IONS
FEATURE_ID=2566
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117.0691 2.1E2
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END IONS
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MSLEVEL=2
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101.0383 2.2E2
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286.0814 3.7E2
END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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127.0511 2.5E2
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END IONS
BEGIN IONS
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191.0806 2.1E2
END IONS
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MSLEVEL=2
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END IONS
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MSLEVEL=2
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115.0470 3.8E2
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END IONS
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END IONS
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END IONS
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103.0536 1.4E3
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264.0946 2.5E2
END IONS
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103.0521 6.0E2
105.0688 1.2E3
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END IONS
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END IONS
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108.0400 2.2E2
END IONS
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END IONS
BEGIN IONS
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CHARGE=1+
MSLEVEL=2
102.0469 2.7E2
103.0548 7.9E2
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END IONS
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CHARGE=1+
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103.0542 4.3E2
105.0694 1.2E3
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END IONS
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107.0467 2.2E2
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136.0231 2.6E2
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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596.5476 2.3E2
END IONS
BEGIN IONS
FEATURE_ID=1647
PEPMASS=612.2658
SCANS=1647
RTINSECONDS=753.196
CHARGE=1+
MSLEVEL=2
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917.8165 2.3E2
END IONS
BEGIN IONS
FEATURE_ID=2416
PEPMASS=618.0025
SCANS=2416
RTINSECONDS=926.703
CHARGE=0+
MSLEVEL=2
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BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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PEPMASS=776.2349
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END IONS
BEGIN IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
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END IONS
BEGIN IONS
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END IONS
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END IONS
BEGIN IONS
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880.8489 2.2E2
END IONS
BEGIN IONS
FEATURE_ID=5619
PEPMASS=850.2531
SCANS=5619
RTINSECONDS=1411.262
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=39
PEPMASS=922.0112
SCANS=39
RTINSECONDS=41.143
CHARGE=1+
MSLEVEL=2
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924.7695 2.7E2
END IONS
BEGIN IONS
FEATURE_ID=16
PEPMASS=922.0113
SCANS=16
RTINSECONDS=21.358
CHARGE=1+
MSLEVEL=2
101.0248 2.6E2
104.0292 2.6E2
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966.8860 2.6E2
END IONS
BEGIN IONS
FEATURE_ID=50
PEPMASS=922.0113
SCANS=50
RTINSECONDS=61.323
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
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PEPMASS=922.0115
SCANS=909
RTINSECONDS=301.326
CHARGE=1+
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END IONS
BEGIN IONS
FEATURE_ID=883
PEPMASS=922.0116
SCANS=883
RTINSECONDS=284.125
CHARGE=1+
MSLEVEL=2
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924.0241 8.6E2
END IONS
BEGIN IONS
FEATURE_ID=958
PEPMASS=922.0119
SCANS=958
RTINSECONDS=434.687
CHARGE=1+
MSLEVEL=2
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924.1707 3.6E2
END IONS
BEGIN IONS
FEATURE_ID=964
PEPMASS=922.0121
SCANS=964
RTINSECONDS=451.385
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=975
PEPMASS=922.0123
SCANS=975
RTINSECONDS=484.746
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=993
PEPMASS=922.0127
SCANS=993
RTINSECONDS=527.068
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1383
PEPMASS=922.0128
SCANS=1383
RTINSECONDS=704.139
CHARGE=1+
MSLEVEL=2
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925.6590 2.4E2
END IONS
BEGIN IONS
FEATURE_ID=1079
PEPMASS=922.0128
SCANS=1079
RTINSECONDS=593.175
CHARGE=1+
MSLEVEL=2
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END IONS
BEGIN IONS
FEATURE_ID=1184
PEPMASS=922.0128
SCANS=1184
RTINSECONDS=658.67
CHARGE=1+
MSLEVEL=2
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944.0464 2.2E2
END IONS
BEGIN IONS
FEATURE_ID=1821
PEPMASS=922.0129
SCANS=1821
RTINSECONDS=794.687
CHARGE=1+
MSLEVEL=2
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984.5430 2.4E2
END IONS
BEGIN IONS
FEATURE_ID=1869
PEPMASS=922.0130
SCANS=1869
RTINSECONDS=806.183
CHARGE=1+
MSLEVEL=2
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961.8301 2.1E2
END IONS
BEGIN IONS
FEATURE_ID=1953
PEPMASS=922.0130
SCANS=1953
RTINSECONDS=822.484
CHARGE=1+
MSLEVEL=2
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924.6985 2.0E2
END IONS
BEGIN IONS
FEATURE_ID=5941
PEPMASS=924.2710
SCANS=5941
RTINSECONDS=1430.317
CHARGE=1+
MSLEVEL=2
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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END IONS
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430.0763 2.4E2
431.0753 2.6E2
453.4710 2.1E2
458.9729 2.9E2
460.9555 6.3E2
461.9568 8.7E2
463.9366 2.8E2
489.0570 2.4E2
534.9752 2.2E2
535.9789 2.6E2
819.0372 2.6E2
837.4712 2.6E2
END IONS
BEGIN IONS
FEATURE_ID=4805
PEPMASS=998.2903
SCANS=4805
RTINSECONDS=1322.358
CHARGE=1+
MSLEVEL=2
115.0033 1.3E3
116.8813 2.6E2
118.9998 6.1E2
119.9930 2.6E2
131.0334 1.1E3
133.0131 4.6E3
134.0126 5.4E2
135.0089 3.1E2
135.1183 2.1E2
136.0172 2.0E2
146.8510 2.8E2
147.0651 2.2E5
147.9260 3.5E2
148.0007 3.3E2
148.0662 3.6E4
148.3911 2.1E2
148.4403 3.5E2
149.0551 2.3E4
149.2191 2.8E2
149.2709 2.2E2
149.3689 2.0E2
150.0505 3.5E3
151.0405 6.2E2
152.0428 2.5E2
162.9696 6.1E2
164.9831 7.8E2
175.9771 5.0E2
176.9903 8.5E2
177.9820 5.1E2
178.9696 7.7E2
179.9867 2.5E2
180.9969 3.1E2
181.1240 2.1E2
184.0654 3.4E2
189.0169 5.0E2
191.0001 1.5E4
192.0009 2.5E3
192.9904 3.1E3
193.9836 7.5E2
202.9998 2.8E2
205.0400 6.0E2
205.3848 2.1E2
206.0108 2.5E2
206.0471 2.9E2
207.0318 2.2E5
207.7963 2.2E2
207.9194 2.3E2
208.0327 4.7E4
208.4073 2.8E2
208.5592 2.1E2
208.7557 3.3E2
209.0285 2.1E4
209.3222 4.1E2
209.4455 2.0E2
209.5446 2.3E2
210.0313 2.4E3
210.3194 2.2E2
211.0200 4.5E2
220.9495 2.9E2
221.0842 3.9E4
221.4532 3.2E2
222.0844 7.7E3
222.2685 2.4E2
222.5170 2.1E2
222.9417 7.4E2
223.0650 4.0E4
223.7298 2.0E2
223.8530 2.1E2
223.9398 3.7E2
224.0641 1.1E4
224.2860 2.1E2
225.0610 4.3E3
226.0633 2.6E2
238.9636 4.4E2
246.9941 3.0E2
248.9879 1.7E4
249.9875 4.2E3
250.9690 3.2E4
251.3159 2.7E2
251.5347 2.8E2
251.9690 9.2E3
252.1124 3.2E2
252.9677 5.0E3
253.9671 6.3E2
264.7059 2.1E2
264.8991 2.2E2
265.0189 5.4E4
265.7190 3.5E2
266.0198 1.6E4
266.3524 4.3E2
266.4339 2.7E2
266.6145 2.8E2
266.9993 4.8E5
267.9991 1.3E5
268.9962 7.2E4
269.6201 2.2E2
269.8010 3.3E2
269.9945 8.8E3
270.2090 3.3E2
270.4719 2.8E2
270.7371 3.2E2
270.9904 1.3E3
271.6378 2.2E2
280.4120 2.3E2
280.8248 2.2E2
280.9238 2.4E2
281.0509 3.6E5
281.8724 4.1E2
282.0511 1.0E5
282.8889 4.0E2
283.0491 4.9E4
283.6319 5.0E2
283.7763 3.2E2
284.0467 7.2E3
284.3152 3.9E2
285.0497 1.3E3
291.0577 2.2E2
297.9096 2.6E2
308.9152 2.0E2
312.7259 2.3E2
323.0151 4.2E2
324.0078 5.9E2
324.9864 7.1E4
325.7595 2.2E2
325.8338 2.1E2
325.9860 2.1E4
326.4026 3.0E2
326.9709 4.4E4
327.7979 2.0E2
327.9702 1.3E4
328.7229 3.7E2
328.9613 5.2E3
329.9615 7.5E2
339.0380 6.5E3
339.4610 2.5E2
340.0347 2.8E3
341.0179 2.0E5
342.0177 7.0E4
342.7791 5.1E2
343.0165 4.0E4
343.7328 2.7E2
343.8448 2.3E2
343.9032 2.6E2
344.0143 6.9E3
344.2465 2.4E2
345.0092 6.0E2
347.8218 2.3E2
355.0695 5.9E4
355.8553 3.3E2
356.0709 2.1E4
356.2622 3.7E2
356.3260 2.7E2
356.8426 2.5E2
357.0676 1.1E4
357.4185 2.6E2
358.0693 1.6E3
359.0712 3.0E2
371.1069 3.3E2
372.1035 2.7E2
384.9618 1.0E3
385.9514 5.3E2
386.9409 4.0E2
399.0043 8.4E2
400.0031 3.0E2
400.9871 8.1E3
401.9844 3.3E3
402.9837 2.0E3
403.9848 6.2E2
415.0366 2.1E3
416.0426 6.0E2
417.0358 3.7E2
423.0959 2.5E2
429.0840 4.2E2
430.0790 5.9E2
460.9511 8.2E2
461.9417 2.7E2
520.1488 2.0E2
525.3066 2.6E2
535.9588 2.7E2
619.6920 2.6E2
637.2554 2.1E2
692.2621 2.6E2
719.5826 2.0E2
END IONS
nf_output/GNPS-FAULKNERLEGACY.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 015756 0 ustar root root
nf_output/GNPS-NIH-CLINICALCOLLECTION1.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 017111 0 ustar root root
nf_output/RESPECT.mgf.tsv 0000644 0000000 0000000 00000000001 14745575367 014230 0 ustar root root
nf_output/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 020272 0 ustar root root
nf_output/MMV_NEGATIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 015036 0 ustar root root
nf_output/ELIXDB-LICHEN-DATABASE.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 016166 0 ustar root root
nf_output/GNPS-LIBRARY.mgf.tsv 0000644 0000000 0000000 00000000001 14745575371 014767 0 ustar root root
nf_output/NEO-MSMS.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 014313 0 ustar root root
nf_output/GNPS-SELLECKCHEM-FDA-PART2.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 016617 0 ustar root root
nf_output/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 022170 0 ustar root root
nf_output/MCE-DRUG.mgf.tsv 0000644 0000000 0000000 00000000001 14745575370 014260 0 ustar root root
nf_output/networking/ 0000755 0000000 0000000 00000000000 14745575767 014021 5 ustar root root nf_output/networking/filtered_pairs.tsv 0000644 0000000 0000000 00000026553 14745575402 017550 0 ustar root root CLUSTERID1 CLUSTERID2 ComponentIndex Cosine DeltaMZ
2170 2428 1 0.7014 -0.002
2250 2398 1 0.7552 -0.002
2305 2398 1 0.7695 0.000
2398 2428 1 0.7651 -0.000
2250 2428 1 0.7752 -0.002
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1360 1411 2 0.5614 -19.975
1360 1449 2 0.8203 12.128
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1360 2625 2 0.6102 55.989
1360 2628 2 0.7085 74.000
1360 2838 2 0.8757 13.974
1360 2913 2 0.6824 -173.065
1360 3008 2 0.8133 -173.065
2092 4266 2 0.8084 -350.225
2935 4266 2 0.7134 -262.233
4143 4266 2 0.9676 0.011
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4936 5108 11 0.9967 -0.001
4936 5896 11 0.881 -222.056
4936 5941 11 0.9113 -148.037
4936 6193 11 0.9093 -148.037
4936 6261 11 0.9905 -0.002
4805 5108 11 0.8854 222.055
5108 5619 11 0.8572 -74.018
5108 5896 11 0.8841 -222.055
5108 5941 11 0.9133 -148.036
5108 6193 11 0.911 -148.036
5108 6261 11 0.9826 -0.001
4805 5941 11 0.9934 74.019
5619 5941 11 0.9765 -74.018
5896 5941 11 0.9931 74.019
5941 6193 11 0.9988 -0.000
5941 6261 11 0.8996 148.035
4591 4712 11 0.9929 -0.001
4591 6010 11 0.7693 74.016
4591 6202 11 0.7427 74.016
4712 6202 11 0.7387 74.017
6010 6202 11 0.9828 0.001
4805 6193 11 0.993 74.019
5619 6193 11 0.9764 -74.018
5896 6193 11 0.9932 74.019
6193 6261 11 0.8974 148.035
4712 6010 11 0.7627 74.016
4805 5619 11 0.9723 148.037
5619 5896 11 0.971 -148.037
4805 5896 11 0.9975 0.000
5896 6261 11 0.8705 222.055
4805 6261 11 0.872 222.055
148 462 13 0.852 0.000
462 575 13 0.8527 -2.927
2717 3981 15 0.9791 2.014
3118 3981 15 0.9163 21.984
3136 3981 15 0.9277 -2.016
3253 3981 15 0.9595 21.985
3288 3981 15 0.9695 -2.015
3697 3981 15 0.9777 -26.016
3729 3981 15 0.9219 -0.000
2717 3288 15 0.9908 4.029
3118 3288 15 0.9356 23.999
3136 3288 15 0.9351 -0.001
3253 3288 15 0.9842 24.000
3288 3697 15 0.989 24.001
3288 3729 15 0.9384 -2.015
2717 3136 15 0.9328 4.030
3118 3136 15 0.9879 24.000
3136 3253 15 0.9127 -24.001
3136 3697 15 0.9312 24.000
3136 3729 15 0.9912 -2.016
2717 3118 15 0.9244 -19.970
3118 3253 15 0.9211 -0.001
3118 3697 15 0.923 48.000
3118 3729 15 0.9866 21.984
2717 3697 15 0.9967 28.030
3253 3697 15 0.972 48.001
3697 3729 15 0.928 -26.016
2717 3253 15 0.9738 -19.971
2717 3729 15 0.9297 2.014
3253 3729 15 0.9152 21.985
1609 2224 16 0.5304 44.026
2224 2416 16 0.8694 -28.032
1609 2416 16 0.5712 15.994
2416 2672 16 0.6256 -28.030
1375 1377 17 0.7165 -372.211
1370 1377 17 0.8686 -242.013
5732 6125 18 0.9476 -0.000
3871 6409 20 0.9938 0.001
nf_output/networking/clustersummary_with_network.tsv 0000644 0000000 0000000 00000553612 14745575765 022474 0 ustar root root cluster index parent mass RTMean ATTRIBUTE_SampleType:GNPSGROUP:Sample ATTRIBUTE_SampleType:GNPSGROUP:Control ATTRIBUTE_SampleType2:GNPSGROUP:KF1601 ATTRIBUTE_SampleType2:GNPSGROUP:Blank ATTRIBUTE_Time:GNPSGROUP:0min ATTRIBUTE_Time:GNPSGROUP:30min ATTRIBUTE_Time:GNPSGROUP:60min ATTRIBUTE_Time:GNPSGROUP:120min ATTRIBUTE_Time:GNPSGROUP:240min ATTRIBUTE_Time:GNPSGROUP:Final ATTRIBUTE_animal:GNPSGROUP:Human component #Scan# Compound_Name
3523 111.11628207601063 18.52462 1013.491792 0.0 1013.491792 0.0 0.0 263.3831433333333 649.80155 1221.6872666666666 2932.587 0.0 950.148555 -1
2775 117.0818433973486 16.587772 1108.5512306666667 767.5199 1108.5512306666667 767.5199 226.5840733333333 564.1943166666666 722.59793 995.8498 3033.530033333333 767.5199 1087.2367725 -1
366 123.05589477669676 1.8679072 161309.59433333334 47282.688 161309.59433333334 47282.688 39995.99833333334 101351.82666666666 139359.49666666667 213851.31666666668 311989.3333333333 47282.688 154182.9126875 -1
2770 125.12691578279365 16.549911 489.7662573333334 0.0 489.7662573333334 0.0 0.0 332.22824 312.20144 1078.65872 725.7428866666668 0.0 459.15586625 -1
3528 125.1291009625968 18.561293 1167.6489480000002 0.0 1167.6489480000002 0.0 0.0 551.24559 1092.0975166666667 1775.5962 2419.305433333333 0.0 1094.67088875 -1
3178 129.09246827550035 17.547249 2505.87656 0.0 2505.87656 0.0 0.0 1175.1336 1534.382233333333 4204.019 5615.847966666667 0.0 2349.259275 -1
593 129.13599843692063 2.461319 3832.958846666667 4916.7456 3832.958846666667 4916.7456 5831.765833333332 2832.8733 2633.4893 4219.568766666666 3647.097033333333 4916.7456 3900.69551875 -1
4632 133.01420374884896 21.674957 600.78546 4332.1123 600.78546 4332.1123 3003.9273 0.0 0.0 0.0 0.0 4332.1123 833.9933874999999 -1
4376 133.01442153145166 20.90775 28.218813333333333 5308.3203 28.218813333333333 5308.3203 141.09406666666666 0.0 0.0 0.0 0.0 5308.3203 358.22515625 -1
1442 134.0966415832923 12.014197 6673.447213333334 6707.929 6673.447213333334 6707.929 6397.557133333333 6258.595233333333 7201.590533333333 6988.390666666666 6521.1025 6707.929 6675.602325 -1
2597 135.08313966139065 16.025902 7367.388473333334 9768.04 7367.388473333334 9768.04 8463.395233333333 6382.4859 7569.734333333334 7092.163533333333 7329.163366666668 9768.04 7517.42919375 -1
3155 143.10314763939903 17.49722 3148.690734 0.0 3148.690734 0.0 68.50105333333333 1845.3699833333333 2778.3637 3482.3042666666665 7568.914666666667 0.0 2951.897563125 -1
598 146.16483049981858 2.490572 8085.438313333334 10111.245 8085.438313333334 10111.245 14362.109666666664 5982.739099999999 6580.3160333333335 7328.364866666667 6173.6619 10111.245 8212.05123125 -1
2803 147.11015052302824 16.60563 1346.6880706666666 0.0 1346.6880706666666 0.0 0.0 654.0769866666666 1390.0990333333332 2088.357933333333 2600.9064 0.0 1262.52006625 -1
4023 149.0249920359779 19.770136 46565.8922 41644.508 46565.8922 41644.508 48494.651333333335 45494.70733333333 40924.585666666666 44631.14333333333 53284.37333333333 41644.508 46258.3056875 -1
5488 149.02918606105146 23.246988 26966.0344 26194.959 26966.0344 26194.959 27763.924 26213.456666666665 25200.285333333333 27092.685666666668 28559.820333333337 26194.959 26917.8421875 -1
1089 149.06493908228268 10.154612 4575.729893333334 3744.6016 4575.729893333334 3744.6016 3753.6451666666662 4722.045566666667 6037.569100000001 3933.315566666666 4432.074066666667 3744.6016 4523.784375 -1
2621 149.1276564821996 16.034777 4600.220573333334 0.0 4600.220573333334 0.0 621.2950666666667 2618.060833333333 4520.113266666667 4556.3717 10685.262 0.0 4312.706787499999 -1
3194 149.1289690736291 17.57349 5476.003687333334 0.0 5476.003687333334 0.0 231.0474033333333 3582.172766666667 4722.9724 8251.727866666666 10592.098 0.0 5133.753456875 -1
4629 151.0360558409511 21.609833 139.86976 919.55884 139.86976 919.55884 699.3488000000001 0.0 0.0 0.0 0.0 919.55884 188.6003275 -1
1349 155.1067887225471 11.550353 6456.679455333333 1891.8751 6456.679455333333 1891.8751 3267.963733333333 6873.6411333333335 1851.6995433333332 5848.707866666667 14441.385 1891.8751 6171.379183125 -1
4277 155.10716051009226 20.45549 2075.0810733333333 1672.2681 2075.0810733333333 1672.2681 2677.698433333333 2189.801166666666 1313.0475 1850.9003 2343.9579666666664 1672.2681 2049.9052625 -1
82 156.88575594007233 1.5712062 2206.2656333333334 3185.9692 2206.2656333333334 3185.9692 2241.6999333333333 3303.364566666667 1646.4584666666667 1989.0740000000003 1850.7312 3185.9692 2267.49710625 -1
2059 158.1542087163084 14.178847 53728.59813333334 57907.81 53728.59813333334 57907.81 54596.833333333336 55242.91666666666 55276.54 52314.961 51211.73966666666 57907.81 53989.798875 -1
1065 163.1316715569262 9.799412 13747.334666666666 15454.592 13747.334666666666 15454.592 15680.254 14579.079666666668 13932.224666666669 12603.057 11942.058 15454.592 13854.03825 -1
3171 163.1442668659458 17.527788 2970.7666466666665 0.0 2970.7666466666665 0.0 0.0 932.0984666666668 1982.2718 5706.055 6233.407966666667 0.0 2785.09373125 -1
1374 165.08077146729292 11.759289 2389.1002933333334 3514.8877 2389.1002933333334 3514.8877 2915.2306666666664 2640.6724666666664 2496.596133333333 2180.3312 1712.671 3514.8877 2459.4620062500003 -1
1376 166.08271900905945 11.75511 2364.737793333333 2905.2349 2364.737793333333 2905.2349 2499.8839666666668 2270.7842 2325.7734333333333 2651.9517666666666 2075.2956 2905.2349 2398.5188625 -1
1090 166.08848378543678 10.1587925 4422.147826666667 3457.2478 4422.147826666667 3457.2478 4355.667366666668 4260.5589666666665 4699.43 4803.090833333334 3991.9919666666665 3457.2478 4361.841575 -1
5489 167.0413405620804 23.251177 2605.629003333333 1592.5286 2605.629003333333 1592.5286 3288.0760666666665 2128.655366666667 2809.266383333333 2052.9090666666666 2749.2381333333337 1592.5286 2542.3102281250003 -1
4617 167.05580852184957 21.708668 380.0336346666666 7741.427 380.0336346666666 7741.427 1829.6695 70.49867333333333 0.0 0.0 0.0 7741.427 840.12072 -1
4377 167.05794219773054 20.90775 59.81588666666666 3466.5586 59.81588666666666 3466.5586 299.0794333333333 0.0 0.0 0.0 0.0 3466.5586 272.73730625 -1
5159 167.05820327318511 22.533194 754.2841626666666 0.0 754.2841626666666 0.0 3144.151566666666 544.45255 82.81669666666666 0.0 0.0 0.0 707.1414025 -1
4275 172.13358901821277 20.447136 3340.386413333334 2504.0242 3340.386413333334 2504.0242 3790.7151 3234.0281666666665 2539.5591666666664 3162.9618333333333 3974.6678 2504.0242 3288.113775 -1
2815 173.1292094587433 16.622343 3284.419146 0.0 3284.419146 0.0 0.0 805.3189966666667 1339.2645666666667 6243.822999999999 8033.689166666666 0.0 3079.142949375 -1
78 174.8962706430189 1.5837429 205243.3724 272174.0 205243.3724 272174.0 257147.68666666668 251447.84 222773.18 222741.71 72106.44533333334 272174.0 209426.536625 -1
2804 175.13068102489618 16.6112 2253.4679226666663 0.0 2253.4679226666663 0.0 0.0 851.2565466666668 1562.0949666666668 2969.7548 5884.2333 0.0 2112.6261775000003 -1
711 178.95079530753333 2.9418867 44868.9684 119553.39 44868.9684 119553.39 95468.895 26090.37 25581.908333333336 25845.541666666668 51358.127 119553.39 49536.74475 -1
668 178.95085538622573 2.7580178 104072.87153333332 24775.969 104072.87153333332 24775.969 61304.41533333333 119255.32333333332 127242.06033333331 123668.36666666664 88894.192 24775.969 99116.815125 -1
2639 179.13670677718594 16.087431 4570.711926666667 0.0 4570.711926666667 0.0 0.0 1669.174166666667 4301.5831333333335 7299.7128 9583.089533333334 0.0 4285.04243125 -1
824 181.0722093574165 3.9911833 0.0 10531.105 0.0 10531.105 0.0 0.0 0.0 0.0 0.0 10531.105 658.1940625 -1
1066 185.1120776839814 9.803591 11408.904566666666 17378.535 11408.904566666666 17378.535 11745.5785 11722.861 11983.945999999998 11269.572666666669 10322.564666666667 17378.535 11782.006468750002 -1
3535 185.1484303238828 18.52786 1828.5127666666665 0.0 1828.5127666666665 0.0 0.0 897.2617333333334 1837.763866666667 2637.6950333333334 3769.8431999999993 0.0 1714.2307187499998 -1
1102 186.22176977122083 10.275808 3589.160406666667 3914.3037 3589.160406666667 3914.3037 3855.773933333333 3696.0278333333335 3812.6975 3390.3721 3190.930666666667 3914.3037 3609.4818625 -1
871 188.0707355829665 4.4253836 2658.1514533333334 2073.9136 2658.1514533333334 2073.9136 2196.0077 2887.8746 2595.4009 2841.937433333333 2769.536633333333 2073.9136 2621.6365875 -1
4633 191.00146980127343 21.674957 967.7699766666668 6711.516 967.7699766666668 6711.516 4838.849883333333 0.0 0.0 0.0 0.0 6711.516 1326.754103125 -1
4378 191.0016673199569 20.941166 132.63111333333333 13108.404 132.63111333333333 13108.404 663.1555666666667 0.0 0.0 0.0 0.0 13108.404 943.61691875 -1
1391 191.0982204938317 11.842866 1791.2640933333334 1968.299 1791.2640933333334 1968.299 1673.1137 1666.9034333333336 2001.6203 1905.9680333333336 1708.715 1968.299 1802.328775 -1
1399 193.1243031327914 11.847045 2924.445586666667 5782.0684 2924.445586666667 5782.0684 3462.1987000000004 2752.7065666666663 2274.286 2523.6811666666667 3609.3555 5782.0684 3103.0470125 -1
779 193.9298085863693 3.6230552 46235.97286666666 21619.34 46235.97286666666 21619.34 21115.82633333333 61025.55433333333 62555.053333333344 18196.721666666665 68286.70866666667 21619.34 44697.4333125 -1
815 193.92981963197693 3.8654242 131489.27546666667 178445.75 131489.27546666667 178445.75 165325.42666666667 111490.75466666666 111949.917 155119.4566666667 113560.82233333332 178445.75 134424.055125 -1
1589 195.13306195944327 12.402829 21430.74266666667 24121.307 21430.74266666667 24121.307 13937.187333333335 18906.98433333333 20326.707 23225.653333333332 30757.18133333333 24121.307 21598.9029375 -1
701 195.9744473599191 2.9586012 22429.131246666664 34075.473 22429.131246666664 34075.473 22525.3169 31488.77733333333 19701.940666666665 11642.409 26787.212333333333 34075.473 23157.02760625 -1
647 195.9752901804761 2.715431 6323.515066666666 0.0 6323.515066666666 0.0 4312.4554 5505.605833333332 5448.1032000000005 12821.009233333332 3530.401666666666 0.0 5928.295375 -1
96 198.8763326774948 1.6631416 3598.5657466666667 4545.5396 3598.5657466666667 4545.5396 4205.603966666667 3314.5591 3563.7160666666664 3811.8757 3097.0739 4545.5396 3657.7516125 -1
3210 199.1669808479712 17.579409 6565.782406666667 212.53297 6565.782406666667 212.53297 0.0 4249.044 6526.165033333334 9335.897333333332 12717.805666666667 212.53297 6168.704316875001 -1
658 200.9330071656925 2.6911554 6546.704840000001 1361.3035 6546.704840000001 1361.3035 4840.8355 7047.4483 9610.918 6808.0351 4426.2873 1361.3035 6222.61725625 -1
742 200.9332461677692 3.1842752 1884.7393666666665 10617.235 1884.7393666666665 10617.235 1520.7653333333335 1794.309166666667 1660.5196999999998 2234.9146333333333 2213.188 10617.235 2430.52034375 -1
1375 201.0468522504396 11.75511 16544.621466666667 20507.48 16544.621466666667 20507.48 17738.939333333332 17559.910333333337 17425.385666666665 15699.185666666666 14299.686333333331 20507.48 16792.300125 17
2839 201.153894050881 16.622343 1645.0094820000002 0.0 1645.0094820000002 0.0 0.0 459.3883666666666 1073.09321 2599.7996 4092.7662333333337 0.0 1542.196389375 -1
539 203.0524676312272 2.3334286 920.674854 0.0 920.674854 0.0 164.64735 446.9324533333333 946.0704 1376.4597333333334 1669.2643333333333 0.0 863.1326756249999 -1
870 205.0965956769796 4.425383 1938.2326266666664 1623.7825 1938.2326266666664 1623.7825 1702.8810666666668 2036.1432666666667 1830.0346 2095.607933333333 2026.4962666666668 1623.7825 1918.57949375 -1
4379 207.032504312444 20.957691 1369.1267546666668 113907.016 1369.1267546666668 113907.016 2376.626 1765.1921666666667 345.547 1019.3912733333332 1338.8773333333331 113907.016 8402.7448325 -1
5123 207.03259673146127 22.484722 10224.141793333332 0.0 10224.141793333332 0.0 38901.763 5946.149666666667 2099.7003666666665 2210.4594666666667 1962.6364666666668 0.0 9585.13293125 -1
4674 207.03268219391464 21.753723 10314.298898666668 24204.502 10314.298898666668 24204.502 45415.06666666666 2858.5272666666665 851.1497433333333 993.135 1453.6158166666664 24204.502 11182.4365925 -1
1103 207.1536014937611 10.275807 5375.449966666667 4927.7866 5375.449966666667 4927.7866 5616.4540333333325 5388.260666666666 5144.0822333333335 5935.448666666667 4793.004233333333 4927.7866 5347.47100625 -1
4618 208.03369821334425 21.641834 738.6482933333333 8745.147 738.6482933333333 8745.147 3453.1971 240.04436666666663 0.0 0.0 0.0 8745.147 1239.0544625 -1
4913 209.0254544151384 22.221582 1239.42321 2726.787 1239.42321 2726.787 5895.1489 301.96715 0.0 0.0 0.0 2726.787 1332.383446875 -1
2813 209.15537993122703 16.610949 5942.285146666667 2276.889 5942.285146666667 2276.889 2493.569633333333 5787.964333333333 6290.736666666667 7740.610333333333 7398.544766666666 2276.889 5713.1978875 -1
844 210.9451975085236 4.111972 40664.72254 7520.081 40664.72254 7520.081 24793.4472 24462.71383333334 22494.336333333336 66313.026 65260.08933333334 7520.081 38593.18244375 -1
1400 211.13314551572523 11.847047 5438.9921 3424.8672 5438.9921 3424.8672 7421.630933333333 3134.278333333333 6667.492666666666 6611.716433333334 3359.842133333333 3424.8672 5313.10929375 -1
109 212.8512758103964 1.7132876 421804.404 447298.88 421804.404 447298.88 415717.5533333333 406829.87333333335 418304.16 429758.45333333337 438411.98 447298.88 423397.80875 -1
1590 213.14645589083565 12.407008 6961.288673333333 10790.553 6961.288673333333 10790.553 4281.4188 7178.587666666666 7779.0115 7108.077166666667 8459.348233333332 10790.553 7200.61769375 -1
104 214.85035753364755 1.7091085 93231.58106666668 104470.51 93231.58106666668 104470.51 95230.98966666666 92371.23833333331 91154.388 95219.84466666666 92181.44466666668 104470.51 93934.014125 -1
102 216.8489927902806 1.7049294 7386.138346666666 7576.8413 7386.138346666666 7576.8413 7009.2985 7994.441166666666 6962.553 7433.998500000001 7530.400566666666 7576.8413 7398.057281249999 -1
819 219.02834020708275 3.9243166 0.0 3441.2688 0.0 3441.2688 0.0 0.0 0.0 0.0 0.0 3441.2688 215.0793 -1
3265 219.204437318857 17.718323 20022.75356 3188.0166 20022.75356 3188.0166 3868.6248 16252.185 23600.366 32312.201 24080.391 3188.0166 18970.5825 -1
3161 219.2101240126973 17.547249 13123.935973333331 0.0 13123.935973333331 0.0 0.0 6716.9312 11417.872 15300.269666666669 32184.607 0.0 12303.689975 -1
4923 221.08684610019296 22.230465 1627.1677113333333 3629.7073 1627.1677113333333 3629.7073 4682.251066666667 1457.1279233333337 0.0 577.2683000000001 1419.1912666666667 3629.7073 1752.3264356250002 -1
5821 221.08685550620547 23.759544 5033.527531333334 0.0 5033.527531333334 0.0 1077.8916666666669 1171.5939866666663 3628.1812166666655 1021.6238866666666 18268.3469 0.0 4718.932060625 -1
5160 221.08689733492017 22.56781 1471.1608373333331 2363.817 1471.1608373333331 2363.817 4214.141766666667 918.1486666666666 155.65513333333334 474.81768000000005 1593.04094 2363.817 1526.9518475 -1
4691 221.08706267918112 21.775917 3328.56586 29339.436 3328.56586 29339.436 5230.774266666666 6778.287666666667 0.0 3818.801333333333 814.9660333333333 29339.436 4954.24524375 -1
2812 221.1535387778061 16.622343 2850.1867099999995 0.0 2850.1867099999995 0.0 0.0 1118.2520833333333 2647.3693666666663 5878.567633333333 4606.744466666667 0.0 2672.050040625 -1
4942 223.06475916951987 22.341717 16537.621129333333 34025.637 16537.621129333333 34025.637 63456.70199999999 9800.921333333334 1538.3489466666667 2826.9087 5065.224666666666 34025.637 17630.62212125 -1
4634 223.0649048460532 21.742561 24960.274273333325 124692.89 24960.274273333325 124692.89 106484.56933333332 6633.236033333334 2672.1418 4435.9786 4575.4456 124692.89 31193.56275625 -1
4380 223.06517252989045 20.947613 2749.004586666667 437262.94 2749.004586666667 437262.94 3228.682466666666 4123.168133333334 967.4162333333334 1993.4890333333333 3432.267066666667 437262.94 29906.12555 -1
5322 225.05796727804469 22.951195 2912.23847 0.0 2912.23847 0.0 2311.762166666667 9348.350733333333 909.5600666666666 1032.3114666666668 959.2079166666666 0.0 2730.223565625 -1
4619 225.05889935476108 21.690895 1860.4285126666664 21339.719 1860.4285126666664 21339.719 7849.359099999999 838.4745766666668 0.0 484.1679766666666 130.14091 21339.719 3077.884168125 -1
3525 225.18268725761743 18.53343 1297.5318533333334 0.0 1297.5318533333334 0.0 0.0 448.45098 985.58512 1875.2869 3178.3362666666667 0.0 1216.4361125 -1
1253 226.1783755473439 11.211869 4660.166486666667 4047.6526 4660.166486666667 4047.6526 3975.277 6061.301666666666 3352.5869 4720.123666666667 5191.5432 4047.6526 4621.884368749999 -1
2856 227.1963420140421 16.665272 12547.477266666663 11527.494 12547.477266666663 11527.494 12276.492666666669 11901.028 12443.382 13471.106666666668 12645.377 11527.494 12483.7283125 -1
1958 228.1944813897574 13.740068 6974.394893333333 1699.0884 6974.394893333333 1699.0884 2304.270666666667 10440.002333333332 1955.8618 7005.928666666667 13165.911 1699.0884 6644.6882375000005 -1
1746 231.14860216032423 12.900126 19375.604666666663 25918.07 19375.604666666663 25918.07 20150.654333333336 19168.535 16540.430333333334 20554.932666666664 20463.471 25918.07 19784.50875 -1
1397 233.13621753086213 11.830329 6516.017966666667 8744.569 6516.017966666667 8744.569 8062.536633333333 7128.193766666666 6436.728999999999 5709.299133333334 5243.3313 8744.569 6655.302406250001 -1
1585 235.13593530483828 12.384322 1041.137700666667 3244.8706 1041.137700666667 3244.8706 1552.2387833333337 1241.2451 1256.4329666666663 774.6136133333333 381.15804 3244.8706 1178.871006875 -1
959 235.18040028359803 7.2419524 9210.092086666667 12102.585 9210.092086666667 12102.585 11520.602333333334 9446.250766666666 8290.425466666667 9064.265333333336 7728.916533333333 12102.585 9390.872893749998 -1
2759 235.20482592701765 16.544333 25581.911066666664 0.0 25581.911066666664 0.0 0.0 15891.547 27341.65233333333 38073.77266666666 46602.583333333336 0.0 23983.041625 -1
140 236.9933205913476 1.7007511 1997.1164066666672 1580.994 1997.1164066666672 1580.994 2498.5149666666666 1753.9291666666668 1504.4893999999997 1919.4904666666669 2309.1580333333336 1580.994 1971.10875625 -1
3174 237.2216026489567 17.524971 70958.92879999998 0.0 70958.92879999998 0.0 0.0 42899.62899999999 70745.27966666665 103048.02666666669 138101.70866666667 0.0 66523.99575 -1
1038 242.13145324588103 9.540323 6890.614106666665 8083.947 6890.614106666665 8083.947 8456.483666666667 6821.732533333333 6835.615866666667 6721.8134666666665 5617.425 8083.947 6965.1974125 -1
3552 245.22592991129923 18.550138 3768.7452866666654 0.0 3768.7452866666654 0.0 0.0 1638.6824 3817.8595333333337 5734.289433333334 7652.895066666667 0.0 3533.19870625 -1
1962 250.17642348849296 13.739184 1983.848948 247.40598 1983.848948 247.40598 639.4742333333332 3346.9522666666667 518.9813 1891.846273333333 3521.9906666666666 247.40598 1875.3212625 -1
147 250.80816437769388 1.7174658 4487.727093333334 4585.095 4487.727093333334 4585.095 4312.1186333333335 4361.784733333333 4466.784333333333 4926.129000000001 4371.818766666666 4585.095 4493.8125875000005 -1
622 250.8802631965276 2.5783238 60953.39853333334 57180.645 60953.39853333334 57180.645 73274.59666666666 52971.19666666666 55512.233 60236.44633333333 62772.52 57180.645 60717.6014375 -1
1006 251.18200606034893 9.080644 3277.641166666667 2498.9883 3277.641166666667 2498.9883 3741.513033333333 2792.187066666667 2536.899533333333 3407.0158 3910.5904 2498.9883 3228.9753625000003 -1
1444 253.10378093616967 12.014197 17560.44373333333 19716.297 17560.44373333333 19716.297 19665.319333333333 17553.872333333333 17282.952333333335 17620.281666666666 15679.793 19716.297 17695.1845625 -1
1114 253.112628475476 10.325954 15839.0016 22345.193 15839.0016 22345.193 19453.502 16201.688666666669 17028.385333333335 14313.857666666669 12197.574333333332 22345.193 16245.6385625 -1
3377 253.2146883222439 18.144571 17908.274406666667 1766.3696 17908.274406666667 1766.3696 2191.3068000000003 11339.045233333332 17585.365 21012.291666666668 37413.363333333335 1766.3696 16899.40535625 -1
2015 253.215252586242 14.025867 23525.218666666664 0.0 23525.218666666664 0.0 0.0 12824.168666666666 24113.56866666667 29160.91966666667 51527.43633333334 0.0 22054.8925 -1
2313 253.21544036007944 15.1123705 22567.126466666665 0.0 22567.126466666665 0.0 0.0 12724.805666666667 23438.196666666667 33012.914333333334 43659.71566666666 0.0 21156.6810625 -1
1758 254.2164442930644 12.931143 764.2910333333333 0.0 764.2910333333333 0.0 0.0 0.0 186.0193333333333 1340.3269666666663 2295.108866666667 0.0 716.52284375 -1
2318 254.21903501705933 15.129088 3468.63482 0.0 3468.63482 0.0 0.0 1816.3488 2922.6028666666666 5370.123566666666 7234.098866666667 0.0 3251.84514375 -1
418 254.86264529887285 2.047599 8156.800886666667 5295.212 8156.800886666667 5295.212 9648.065666666667 8859.316333333334 8122.495666666667 7372.314766666667 6781.812000000001 5295.212 7977.951581249999 -1
3176 255.23232174520584 17.53054 229411.1616 0.0 229411.1616 0.0 0.0 138235.13466666665 230872.11666666667 334899.6766666667 443048.88 0.0 215072.964 -1
597 256.86286000216 2.4780357 2486.1259199999995 2493.778 2486.1259199999995 2493.778 2577.2315 2128.9983 2023.4871333333333 3166.4168666666665 2534.4958 2493.778 2486.604175 -1
629 258.10992724520395 2.5908604 46005.18333333333 38511.418 46005.18333333333 38511.418 34092.06533333334 46275.383 47320.62333333333 50719.76966666667 51618.07533333333 38511.418 45536.823 -1
978 258.2149533227718 8.265769 2944.6874466666663 3182.3555 2944.6874466666663 3182.3555 2780.164666666667 2687.757666666667 2828.0633666666668 3117.876333333333 3309.5752 3182.3555 2959.5417 -1
3911 259.1894269364115 19.502697 4385.3166200000005 4047.6423 4385.3166200000005 4047.6423 4663.872833333334 4178.4741 3603.0408666666663 4482.913466666666 4998.281833333333 4047.6423 4364.211975 -1
1249 261.21730670152186 11.204854 2335.580476 0.0 2335.580476 0.0 0.0 0.0 1246.973613333333 3561.970633333333 6868.9581333333335 0.0 2189.60669625 -1
3154 261.21991041265795 17.49154 10398.918486666666 0.0 10398.918486666666 0.0 0.0 6214.137433333334 10475.818666666666 15359.790666666668 19944.845666666664 0.0 9748.98608125 -1
1394 264.17571052408687 11.826152 67943.3446 89484.445 67943.3446 89484.445 85398.172 71750.78266666667 69357.84999999999 59474.24733333334 53735.671 89484.445 69289.663375 2 1394.0 MoNA:963483 Nortriptyline
4675 265.0206295599642 21.748768 1006.9036286666668 2923.9292 1006.9036286666668 2923.9292 4964.986766666667 69.53137666666667 0.0 0.0 0.0 2923.9292 1126.717726875 -1
5067 265.0210935126978 22.38875 1301.921052 1581.5016 1301.921052 1581.5016 6288.631366666667 220.9738933333333 0.0 0.0 0.0 1581.5016 1319.39483625 -1
4425 265.0213054857486 20.941166 93.47710666666669 9667.348 93.47710666666669 9667.348 467.3855333333333 0.0 0.0 0.0 0.0 9667.348 691.8440375 -1
3982 265.25200169750303 19.686806 5589.563893333333 0.0 5589.563893333333 0.0 0.0 3002.8596999999995 4631.9537666666665 8058.258666666666 12254.747333333333 0.0 5240.21615 -1
1957 266.16048910866584 13.723356 2046.174964 1451.3208 2046.174964 1451.3208 997.1532333333334 3038.6488000000004 1110.7105333333332 1533.8100533333334 3550.5522 1451.3208 2008.99657875 -1
1204 266.6179715488328 11.073671 46282.994953333335 0.0 46282.994953333335 0.0 6446.575433333334 33813.509 45859.99600000001 65864.66766666666 79430.22666666667 0.0 43390.30776875 3
4383 267.0004075405388 20.94015 1043.2316666666668 49357.04 1043.2316666666668 49357.04 3686.2952 566.7161333333333 0.0 415.9390533333333 547.2079466666667 49357.04 4062.8446875 -1
4635 267.00088853388485 21.708736 5081.880664666667 24333.143 5081.880664666667 24333.143 21152.89573333333 1914.2302666666667 361.5484666666667 982.8776 997.8512566666668 24333.143 6285.084560625 -1
2952 269.2104686628059 16.96197 13791.479386666666 2697.5388 13791.479386666666 2697.5388 2749.8204666666666 9284.9688 11974.264333333333 19088.827666666668 25859.515666666663 2697.5388 13098.1081 -1
3667 270.31590381116115 18.85078 123201.28006666667 53393.656 123201.28006666667 53393.656 54974.013666666666 94570.52666666666 126355.43333333336 149513.36333333334 190593.06333333327 53393.656 118838.3035625 2
2855 271.1633433365877 16.643637 486.58968 1614.5764 486.58968 1614.5764 2432.9484 0.0 0.0 0.0 0.0 1614.5764 557.08885 -1
2017 271.22195357044006 14.031438 9157.073133333331 0.0 9157.073133333331 0.0 0.0 2525.3515666666667 7298.505433333333 14433.188666666669 21528.32 0.0 8584.7560625 -1
1761 271.222850945135 12.950519 5461.165469333334 0.0 5461.165469333334 0.0 0.0 737.4516466666668 3518.514966666667 9289.274233333332 13760.5865 0.0 5119.8426275 -1
2321 271.22415233115987 15.145804 6981.571220000001 0.0 6981.571220000001 0.0 0.0 2560.708333333333 5153.530933333333 12305.8515 14887.765333333336 0.0 6545.22301875 -1
2191 272.2578384209061 14.688677 10766.511366666668 13401.634 10766.511366666668 13401.634 9087.779233333333 9844.270333333334 9495.642266666668 10563.349 14841.516 13401.634 10931.20653125 -1
3179 272.26794365571743 17.545778 3422.541281333333 245.59268 3422.541281333333 245.59268 154.46014 1976.3748666666668 3352.5329 4942.0115 6687.327 245.59268 3223.98199375 -1
1007 273.1666960723923 9.080645 2954.6123 3255.743 2954.6123 3255.743 2631.850733333333 2717.657633333333 3384.6734666666666 3061.4342999999994 2977.445366666667 3255.743 2973.4329687500003 -1
784 273.8977141724214 3.6355906 52172.4976 62160.902 52172.4976 62160.902 70305.728 42598.16466666667 46120.098 40967.289 60871.208333333336 62160.902 52796.772875 -1
1139 274.6150636579342 10.615951 5745.673379999998 0.0 5745.673379999998 0.0 0.0 1986.3578 4099.205266666667 9435.477833333332 13207.326 0.0 5386.568793750001 -1
955 276.1595801241691 7.1165895 30095.45586666667 35168.848 30095.45586666667 35168.848 35197.471 30335.644 29505.283666666663 30295.660666666667 25143.22 35168.848 30412.542875 2
2052 277.21430419129746 14.1489 17711.17406666667 354.31696 17711.17406666667 354.31696 0.0 13175.493333333332 28770.689 18113.38533333333 28496.302666666663 354.31696 16626.3704975 -1
2362 277.2143313440152 15.208482 11934.002118000002 0.0 11934.002118000002 0.0 69.30875666666667 11369.719166666668 15691.380666666666 13370.194666666664 19169.407333333333 0.0 11188.126985625 -1
5501 279.1612292287641 23.263697 5241.146640000001 5565.9473 5241.146640000001 5565.9473 6398.2733 4556.6793333333335 3469.4083666666666 5496.488733333333 6284.883466666666 5565.9473 5261.44668125 -1
4012 279.16152306415535 19.745075 11377.743833333334 9635.118 11377.743833333334 9635.118 13312.479666666666 10363.025 8970.709166666667 11630.431 12612.074333333332 9635.118 11268.82971875 -1
995 279.2198994356596 8.892593 5717.6607933333335 8874.536 5717.6607933333335 8874.536 7984.003766666666 6123.0817 5780.283666666667 4935.9129 3765.021933333333 8874.536 5914.96549375 2
2628 279.2297172870693 16.06769 240214.4937733333 4109.7734 240214.4937733333 4109.7734 1379.8722 123033.19333333334 215040.68333333332 355433.6666666667 506185.0533333333 4109.7734 225457.94875 2
1236 279.23150676424035 11.18427 22225.711886666664 0.0 22225.711886666664 0.0 0.0 5056.4071 14826.489666666666 33821.439666666665 57424.223 0.0 20836.60489375 2
5126 281.0516654662769 22.519886 29345.075880000004 32658.328 29345.075880000004 32658.328 105900.93333333336 18203.049 6522.277866666666 7671.149 8427.9702 32658.328 29552.1541375 -1
3902 281.17023096354745 19.502697 2540.941366666667 1864.7079 2540.941366666667 1864.7079 2849.256833333333 2147.814966666667 2366.2840333333334 2472.2161333333333 2869.1348666666668 1864.7079 2498.676775 -1
3070 281.2478577571912 17.292095 77698.69501333333 2052.2766 77698.69501333333 2052.2766 3176.6057333333333 49388.064000000006 74853.85466666667 115516.42066666666 145558.53 2052.2766 72970.7938625 -1
2566 282.2797751367917 15.904712 77814.80120000002 92945.8 77814.80120000002 92945.8 90587.158 76880.79333333333 72140.77833333334 82968.153 66497.12333333334 92945.8 78760.488625 -1
577 283.020781285313 2.3915615 855.3953093333332 2933.0825 855.3953093333332 2933.0825 2057.9378666666667 1270.7221766666664 643.85883 304.45767333333333 0.0 2933.0825 985.25075875 -1
5360 283.04947606179405 22.974562 4545.577137333333 0.0 4545.577137333333 0.0 3127.667833333333 15968.119866666666 327.87153333333333 1364.7201533333334 1939.5063 0.0 4261.47856625 -1
2560 283.2819921924898 15.892175 16549.060166666666 19235.8 16549.060166666666 19235.8 18132.96233333333 16338.374666666665 16159.294999999998 17456.581666666665 14658.087166666666 19235.8 16716.98140625 -1
1377 287.1326483485082 11.759289 11884.097733333334 13717.544 11884.097733333334 13717.544 13819.946333333331 12453.277666666669 11614.381666666668 11315.447 10217.436000000002 13717.544 11998.688125 17 1377.0 Massbank:EQ338307 1-[(4-Chlorophenyl)phenylmethyl]piperazine|Norchlorcyclizine|1-(4-Chlorobenzhydryl) piperazine
2963 287.21442568414733 16.978687 6608.143026666668 1919.3751 6608.143026666668 1919.3751 7929.3332 4795.823333333333 5704.291700000001 6956.5709 7654.696 1919.3751 6315.09503125 -1
2055 288.2895832459898 14.15795 23408.599 32651.89 23408.599 32651.89 30765.932 24172.147 22462.053666666663 22930.081666666665 16712.780666666666 32651.89 23986.3046875 -1
2113 288.29040450471564 14.433759 28384.526066666665 37697.152 28384.526066666665 37697.152 36979.08666666667 29493.625 26228.88133333333 26356.461 22864.57633333333 37697.152 28966.5651875 -1
1378 289.1322816036005 11.763468 4155.222066666667 4942.3643 4155.222066666667 4942.3643 4868.334866666667 4176.1286 4105.992266666667 4173.807233333334 3451.847366666667 4942.3643 4204.41845625 -1
2315 289.22886703028763 15.140228 1895.7737113333333 0.0 1895.7737113333333 0.0 0.0 898.6552233333332 1435.9285333333337 2749.5192 4394.7656 0.0 1777.287854375 -1
1963 290.2673735346795 13.719175 4014.5919333333336 14185.889 4014.5919333333336 14185.889 12090.3008 3156.878666666667 2439.911866666667 1372.9279666666669 1012.9403666666668 14185.889 4650.298000000001 -1
759 290.91174946573096 3.4475446 6153.824046666666 16825.783 6153.824046666666 16825.783 2911.548566666667 7062.893800000001 7562.852466666666 2099.1734333333334 11132.651966666666 16825.783 6820.821481249999 -1
952 291.1644104500775 7.0664415 8026.497760000001 10488.301 8026.497760000001 10488.301 9860.628 8177.2285 7289.692533333332 7703.879066666667 7101.060699999999 10488.301 8180.3604625 2
421 292.81971123323984 2.051778 58981.8228 56930.13 58981.8228 56930.13 61093.88266666667 58535.46166666667 57035.23 60759.51966666667 57485.02 56930.13 58853.592 -1
3376 293.2058764705667 18.14456 2879.75869 1393.1877 2879.75869 1393.1877 933.39615 3229.3175333333334 3527.734 2592.3565333333336 4115.989233333333 1393.1877 2786.848003125 -1
2184 294.2359134599305 14.688677 2068.2938 2539.7705 2068.2938 2539.7705 1474.2944333333332 1763.5096999999998 1663.903 2246.093066666667 3193.6688 2539.7705 2097.7610937500003 -1
525 294.840356733108 2.2690759 12288.9075 6868.2505 12288.9075 6868.2505 10884.020333333334 10473.952833333333 14098.188666666669 11217.619133333334 14770.756533333331 6868.2505 11950.1164375 -1
76 294.8420556516162 1.5377749 4825.363780000001 5165.382 4825.363780000001 5165.382 4772.121966666667 4873.050666666667 4953.7439 4753.807233333333 4774.095133333333 5165.382 4846.61491875 -1
372 294.84226999197006 1.8971584 11088.988846666669 22368.996 11088.988846666669 22368.996 6830.224433333334 13536.146133333334 9928.5138 14403.315433333331 10746.744433333331 22368.996 11793.98929375 -1
2048 295.22326558385066 14.149594 23266.70395 722.035 23266.70395 722.035 773.4404166666667 19524.583 22376.105 26164.004 47495.387333333325 722.035 21857.662140625 -1
1365 295.2237258120875 11.713321 19671.62425466666 916.8447 19671.62425466666 916.8447 439.9019733333333 3329.5479333333333 7016.285366666666 17059.933666666664 70512.45233333333 916.8447 18499.4505325 -1
2357 295.224078658735 15.215213 19732.049006666664 1281.8815 19732.049006666664 1281.8815 806.8172 11073.717833333334 20612.928 30024.427666666663 36142.35433333333 1281.8815 18578.9135375 -1
1182 295.22533180728794 10.92797 11708.286506666667 0.0 11708.286506666667 0.0 0.0 2104.138633333333 5983.9159 26883.635 23569.743 0.0 10976.5186 -1
462 296.0669725037811 2.143709 104127.42933333332 58400.11 104127.42933333332 58400.11 90070.96166666667 97766.86333333334 105953.61166666668 110539.77166666668 116305.93833333334 58400.11 101269.471875 13
148 296.06724012182246 1.7174658 90153.06366666664 161549.12 90153.06366666664 161549.12 104716.18 75963.61333333333 83007.36 88631.96333333333 98446.20166666666 161549.12 94615.3171875 13
1071 296.1238716544299 9.866272 7966.042886666666 12214.655 7966.042886666666 12214.655 11109.184333333333 8646.549333333334 7937.916 6936.541899999999 5200.022866666666 12214.655 8231.58114375 -1
172 296.8179063494859 1.7174658 7874.915233333333 9670.949 7874.915233333333 9670.949 8154.914 7969.631333333334 8036.792000000001 7239.950366666667 7973.288466666668 9670.949 7987.167343749999 -1
4677 297.0834946451761 21.765707 21522.171046666663 52556.363 21522.171046666663 52556.363 96231.542 4796.6108 1742.7957666666669 2009.1248333333333 2830.781833333333 52556.363 23461.80804375 -1
4385 297.0840614452947 20.962597 1473.4570866666666 327472.84 1473.4570866666666 327472.84 0.0 2303.109343333333 744.8568566666667 1931.4715000000003 2387.847733333333 327472.84 21848.41851875 -1
2625 297.24118427891807 16.06351 231534.60656666665 924.25287 231534.60656666665 924.25287 1686.7111666666667 121317.39833333332 211589.67 329711.39666666667 493367.8566666667 924.25287 217121.45946062505 2
1534 297.24195043632574 12.24847 10355.389713333334 0.0 10355.389713333334 0.0 0.0 3104.0842 8175.6027 17361.641333333333 23135.620333333336 0.0 9708.17785625 -1
1256 297.2425196074027 11.223277 39094.706913333335 0.0 39094.706913333335 0.0 0.0 8855.2339 27403.49266666667 60391.98466666666 98822.82333333332 0.0 36651.28773125 2
575 298.9935463671246 2.3860855 54653.9466 105771.26 54653.9466 105771.26 99625.81666666668 69181.74333333333 53536.147 36826.43866666666 14099.587333333337 105771.26 57848.7786875 13
3082 299.2568937651422 17.296385 31209.91403133333 0.0 31209.91403133333 0.0 122.91015666666668 20583.65133333333 27933.013666666666 48170.495 59239.5 0.0 29259.294404375 -1
1408 299.62930893837387 11.886308 18956.442733333333 0.0 18956.442733333333 0.0 0.0 14026.712333333337 21092.014 27391.381000000005 32272.106333333333 0.0 17771.6650625 3
3950 300.284535140409 19.616867 567.7558626666666 0.0 567.7558626666666 0.0 0.0 250.4912866666667 364.7506433333333 819.7956166666667 1403.7417666666668 0.0 532.27112125 -1
2567 300.2900616460152 15.904712 194403.20600000003 227913.66 194403.20600000003 227913.66 219005.3566666667 193304.72666666663 188323.2333333333 198897.10333333336 172485.61 227913.66 196497.609375 2
5404 301.0629969971236 23.046833 0.0 1674.6499 0.0 1674.6499 0.0 0.0 0.0 0.0 0.0 1674.6499 104.66561875 -1
4427 301.0728741770507 21.008083 41.963166666666666 2316.0627 41.963166666666666 2316.0627 209.81583333333333 0.0 0.0 0.0 0.0 2316.0627 184.0943875 -1
4009 301.15252907209174 19.757605 2722.5405266666667 1707.7218 2722.5405266666667 1707.7218 2646.300933333333 2691.8000666666667 2541.3490333333334 2637.3128333333334 3095.9397666666664 1707.7218 2659.11435625 -1
1943 301.2169242767802 13.685988 39010.19251333332 0.0 39010.19251333332 0.0 0.0 3894.130466666667 26142.98243333333 65566.83633333333 99447.01333333332 0.0 36572.05548125 -1
1454 303.1458088581388 12.014197 25475.833733333333 22140.41 25475.833733333333 22140.41 23414.755 26840.216 29190.36633333333 28992.14833333333 18941.683 22140.41 25267.36975 -1
2964 303.22926844406135 16.990084 19921.759466666663 0.0 19921.759466666663 0.0 0.0 11792.219000000005 21148.337666666663 29995.052666666663 36673.188 0.0 18676.6495 -1
2836 303.2297701449099 16.627811 73604.024444 880.9768 73604.024444 880.9768 258.52988666666664 43688.324 73086.875 107914.04666666668 143072.34666666665 880.9768 69058.83396625 -1
2955 304.2363068613409 16.967218 5103.249626666667 0.0 5103.249626666667 0.0 74.70253333333334 3408.3397 5035.384666666667 7521.3579 9476.463333333331 0.0 4784.296525 -1
1032 305.2294125948957 9.423698 652.0524746666666 0.0 652.0524746666666 0.0 0.0 0.0 143.38129 1166.9659666666666 1949.9151166666663 0.0 611.2991949999999 -1
1500 305.62911307413964 12.148179 69787.42093333333 0.0 69787.42093333333 0.0 0.0 50789.99433333333 73876.96333333333 102734.52033333332 121535.62666666666 0.0 65425.707125 3
2022 306.25475366019214 14.033948 598.5227113333334 0.0 598.5227113333334 0.0 0.0 145.61122666666665 273.08619 703.9796066666667 1869.9365333333333 0.0 561.1150418750001 -1
1646 306.6389766015317 12.553269 2378031.066666667 3465.9263 2378031.066666667 3465.9263 2518126.966666667 2564261.333333333 2463444.4 2272392.7666666666 2071929.8666666665 3465.9263 2229620.74539375 3
6414 309.2742798671992 24.659416 6258.493786666665 7669.799 6258.493786666665 7669.799 6338.2804 4994.732499999999 5416.063333333333 7098.9662 7444.4265 7669.799 6346.7003625 -1
1543 310.142889345754 12.277462 73381.68446666667 111031.67 73381.68446666667 111031.67 105147.01333333337 84419.65499999998 66839.65533333334 62933.37899999999 47568.71966666666 111031.67 75734.8085625 3
2190 310.2194587979594 14.688677 1957.7274 2941.0864 1957.7274 2941.0864 1900.662366666667 1447.4394999999995 1673.5711 2291.061733333333 2475.9023 2941.0864 2019.1873375 -1
86 310.829304382023 1.583743 15515.8708 15551.552 15515.8708 15551.552 14594.412666666663 15566.179666666663 15858.826 15398.105333333331 16161.830333333332 15551.552 15518.100875 -1
330 310.8294263455677 1.8511916 62194.55806666667 79220.34 62194.55806666667 79220.34 61577.87766666666 61990.926666666666 61229.78400000001 62787.27566666666 63386.92633333334 79220.34 63258.66943749999 -1
1151 311.157860604362 10.681161 17131.2714 23063.896 17131.2714 23063.896 23008.32933333333 18427.087 18109.417666666664 14354.784 11756.739 23063.896 17502.0604375 9
2314 311.2165838942971 15.103441 11943.002788666668 316.82294 11943.002788666668 316.82294 306.4854433333333 8716.0445 12097.886333333334 19156.26333333333 19438.33433333333 316.82294 11216.366548125 -1
2016 311.2177297602989 14.029673 19116.360930666666 0.0 19116.360930666666 0.0 213.83298666666664 11243.236666666666 20759.693 27041.216 36323.826 0.0 17921.5883725 -1
6393 311.30697996920617 24.65525 2312.822528 5977.089 2312.822528 5977.089 8368.703333333333 545.1408700000001 787.8633966666666 934.8577866666666 927.5472533333332 5977.089 2541.8391825 -1
2303 312.2275312120888 15.11794 1649.9485866666666 0.0 1649.9485866666666 0.0 0.0 759.6115666666666 1613.7904 2828.1711 3048.1698666666666 0.0 1546.8267999999998 -1
1368 313.2342034158639 11.724728 6090.320739999999 0.0 6090.320739999999 0.0 0.0 1246.7780333333333 2858.3986666666665 11107.895666666667 15238.531333333332 0.0 5709.67569375 -1
1146 313.2361655593115 10.660526 15189.975573333337 0.0 15189.975573333337 0.0 0.0 1455.3265333333336 8303.521333333332 23505.89333333333 42685.136666666665 0.0 14240.6021 -1
4200 313.2727630425021 20.183825 2337.7790600000003 2738.8274 2337.7790600000003 2738.8274 3263.0970666666667 2367.7726 1543.8619666666666 2622.2662 1891.8974666666663 2738.8274 2362.84458125 -1
1547 313.6268424189183 12.308367 6170.844033333333 0.0 6170.844033333333 0.0 1391.824033333333 3458.3538000000003 3780.6686 10931.8291 11291.544633333331 0.0 5785.16628125 -1
1501 314.633361670484 12.152781 358001.38615133334 0.0 358001.38615133334 0.0 153.23409 279499.81666666665 385221.1666666667 525751.2666666667 599381.4466666667 0.0 335626.299516875 3
1063 314.6341819952408 9.740886 3613.278006666667 0.0 3613.278006666667 0.0 1559.9362333333336 2896.455033333333 3636.5948 4710.1022 5263.301766666667 0.0 3387.44813125 3
1285 314.63426546455474 11.474002 9548.520773333332 0.0 9548.520773333332 0.0 0.0 8201.656533333335 10916.623666666666 13385.523 15238.800666666668 0.0 8951.738225000001 -1
581 314.9853404702581 2.3944426 8560.989696666666 421.99326 8560.989696666666 421.99326 1074.88755 6815.1201 8626.086000000001 11336.718833333332 14952.136 421.99326 8052.302419375001 -1
4637 315.0941904430984 21.676666 2572.393 33133.754 2572.393 33133.754 12861.964999999998 0.0 0.0 0.0 0.0 33133.754 4482.4780625 -1
1257 315.25218281997337 11.2288475 26407.71554 0.0 26407.71554 0.0 0.0 7665.549366666666 19929.373333333333 40081.138333333336 64362.51666666666 0.0 24757.23331875 -1
1224 315.6420088850452 11.14053 8356.07774 0.0 8356.07774 0.0 7996.434233333333 8940.312 8128.779133333332 8401.382466666668 8313.480866666667 0.0 7833.82288125 3
1231 316.1457224465399 11.144987 3718.1170400000015 0.0 3718.1170400000015 0.0 3438.8909 3934.6085666666654 3897.189 3906.8245 3413.072233333333 0.0 3485.7347250000003 -1
3094 316.2974111641779 17.296272 2977.634680000001 1087.0542 2977.634680000001 1087.0542 1018.5691333333334 2413.5987666666665 3357.847 4167.626766666667 3930.531733333333 1087.0542 2859.4734 -1
3234 317.2058570450454 17.643116 2714.48826 721.54486 2714.48826 721.54486 1363.0848999999998 2845.859633333333 3191.0983 3488.8191666666667 2683.5793 721.54486 2589.9292975 -1
2219 317.20766371488514 14.808419 2653.138758666667 232.93872 2653.138758666667 232.93872 128.74379333333334 1140.7543333333333 2448.8186666666666 2802.518866666667 6744.858133333332 232.93872 2501.87625625 -1
3078 317.26768311897973 17.296515 5812.602379999999 0.0 5812.602379999999 0.0 0.0 3372.051633333334 5236.390466666667 10060.914666666666 10393.655133333334 0.0 5449.3147312500005 -1
3363 319.22472168142 18.094416 6310.99126 4220.079 6310.99126 4220.079 3666.1509666666666 4245.919233333334 5484.343333333334 7022.031433333334 11136.511333333334 4220.079 6180.30924375 -1
1286 319.2260974342297 11.540863 7749.473513333334 0.0 7749.473513333334 0.0 0.0 1630.6319666666666 4138.2101 9665.519833333334 23313.005666666668 0.0 7265.13141875 -1
3939 319.29602946104046 19.570944 446.8956666666666 0.0 446.8956666666666 0.0 0.0 0.0 316.0278666666667 660.5509000000001 1257.8995666666667 0.0 418.9646875 -1
1450 320.17137513192694 12.014197 300171.8573333333 227827.34 300171.8573333333 227827.34 277603.33 296185.24666666664 312512.19999999995 323338.7066666667 291219.8033333333 227827.34 295650.32499999995 -1
544 320.9786232962873 2.3288083 2076.4184173333333 3437.2983 2076.4184173333333 3437.2983 4675.596833333334 2955.8207 1717.3556 964.6389533333336 68.67999999999999 3437.2983 2161.4734100000005 -1
3562 321.23159414847044 18.540316 3482.18618 0.0 3482.18618 0.0 0.0 449.2417666666667 2364.295833333333 6072.0285 8525.364800000001 0.0 3264.54954375 -1
2966 321.2394281991845 16.990084 24050.493466666667 0.0 24050.493466666667 0.0 0.0 16642.731333333333 24894.679666666667 35061.09299999999 43653.96333333333 0.0 22547.337625 -1
2837 321.24067996425737 16.627914 88031.96106666668 0.0 88031.96106666668 0.0 0.0 52821.482 87081.00666666667 129948.69666666666 170308.62 0.0 82529.9635 -1
5902 321.3121880767537 23.815298 1682.2633766666663 0.0 1682.2633766666663 0.0 333.5605333333333 511.18765 933.0911333333332 2665.9546333333337 3967.5229333333336 0.0 1577.121915625 -1
1453 325.1283556651573 12.014196 66009.7432 54700.355 66009.7432 54700.355 62543.956000000006 72894.88900000001 79361.91133333334 61465.331 53782.62866666666 54700.355 65302.9064375 -1
1163 325.1709941837559 10.819061 32872.03886666667 42329.81 32872.03886666667 42329.81 39114.46966666667 32853.33866666667 30997.131666666668 32087.89466666667 29307.359666666667 42329.81 33463.149562499995 9
2235 325.20880276633164 14.822941 32853.12372 0.0 32853.12372 0.0 0.0 817.4645 9486.6971 68053.30166666667 85908.15533333334 0.0 30799.8034875 -1
2018 327.1994794429069 14.046897 4157.845744666667 313.59357 4157.845744666667 313.59357 335.54189 5779.7037666666665 6086.967166666666 5031.887 3555.1289 313.59357 3917.57998375 -1
1045 327.2028911185531 9.580912 1527.6165133333334 0.0 1527.6165133333334 0.0 0.0 69.92367666666667 950.4947566666666 4027.8235666666665 2589.8405666666667 0.0 1432.14048125 -1
2760 327.22941622671385 16.547663 29126.82162533333 864.72906 29126.82162533333 864.72906 560.6571266666667 17212.944333333333 27987.15 42280.65 57592.706666666665 864.72906 27360.44084 -1
3923 327.33740266755154 19.557032 97455.9872 81352.25 97455.9872 81352.25 100564.015 105178.75866666668 99004.67533333332 104135.985 78396.502 81352.25 96449.503625 2
1044 329.1868764138133 9.569575 30378.82846666667 42795.297 30378.82846666667 42795.297 42752.241 32478.330999999995 29409.763666666666 26113.637999999995 21140.168666666665 42795.297 31154.857750000003 -1
3532 329.2460783133882 18.544569 11045.27922 0.0 11045.27922 0.0 0.0 6359.482766666667 10482.554000000002 16353.548666666667 22030.810666666668 0.0 10354.94926875 -1
6394 329.3231818446501 24.663605 1978.304584 5530.085 1978.304584 5530.085 7722.146333333333 373.6285533333334 304.5748066666667 705.40631 785.7669166666668 5530.085 2200.29086 -1
1579 329.6131920944507 12.387767 7894.519459999999 0.0 7894.519459999999 0.0 0.0 8325.130266666667 10803.3498 11258.620666666668 9085.496566666669 0.0 7401.111993749999 3
1277 330.1554880692754 11.412373 1494.1296386666668 6027.88 1494.1296386666668 6027.88 4821.475033333333 1978.35045 517.6886466666666 153.13406333333333 0.0 6027.88 1777.48903625 -1
1469 331.2431850215754 12.064606 4402.167573333333 0.0 4402.167573333333 0.0 0.0 968.8692 2419.5129666666667 7765.8027 10856.653 0.0 4127.032099999999 -1
1370 331.244929524524 11.747014 12337.105906666668 0.0 12337.105906666668 0.0 0.0 1717.7303 7069.5062333333335 19750.001 33148.292 0.0 11566.0367875 17
1144 331.2464683595826 10.63824 53065.16258 0.0 53065.16258 0.0 0.0 10558.802233333334 34682.17533333334 82053.86533333334 138030.97 0.0 49748.58991875 2
84 332.80733620052115 1.537777 8337.237593333333 7281.461 8337.237593333333 7281.461 6876.391199999999 9313.606666666668 7790.1096 9043.6795 8662.401 7281.461 8271.25155625 -1
1530 333.26301608428474 12.220611 19626.743666666665 0.0 19626.743666666665 0.0 0.0 4585.126 13436.903333333334 29741.656666666662 50370.032333333336 0.0 18400.0721875 2
1254 333.26386581726405 11.217704 69078.90193333333 0.0 69078.90193333333 0.0 0.0 18209.752666666667 48835.72033333334 103354.69333333331 174994.34333333335 0.0 64761.4705625 2
3083 334.2944410617752 17.296515 3081.7887666666666 0.0 3081.7887666666666 0.0 0.0 1655.6358666666667 3179.2226666666666 4865.743866666667 5708.341433333332 0.0 2889.17696875 -1
1171 335.10121712000097 10.877565 7122.416660000001 2789.3762 7122.416660000001 2789.3762 2455.5276666666664 8876.822999999999 9728.715 8132.591533333333 6418.426100000001 2789.3762 6851.60163125 -1
2360 335.2168615278258 15.227749 22189.72737333333 865.0554 22189.72737333333 865.0554 1177.3635333333334 13548.043333333331 19699.36433333333 34576.373 41947.492666666665 865.0554 20856.935375 -1
2058 335.2177038234832 14.16631 42365.29608 4021.8413 42365.29608 4021.8413 2806.7757333333334 24514.02533333333 41383.95566666667 63588.12666666667 79533.59700000001 4021.8413 39968.83015625 -1
3925 336.3245306363266 19.56943 15001.65778 0.0 15001.65778 0.0 2699.843533333333 4571.0344 10367.395733333333 21508.477466666667 35861.53776666667 0.0 14064.05416875 -1
554 336.9499291383665 2.3192205 46502.96346666666 37149.4 46502.96346666666 37149.4 73532.15833333334 62740.988000000005 49016.06333333333 33581.77933333333 13643.828333333331 37149.4 45918.36575 -1
89 336.9502890391325 1.5419542 45090.27099999999 81593.28 45090.27099999999 81593.28 88751.18333333335 54792.21733333333 40172.58033333334 28579.944333333333 13155.429666666669 81593.28 47371.7090625 -1
1959 337.23828381551743 13.7400675 6399.480633333335 1552.6144 6399.480633333335 1552.6144 1307.2103666666667 2936.5104 5291.376333333334 9422.0614 13040.244666666667 1552.6144 6096.55149375 -1
2630 337.2406327014033 16.066114 169995.4771066667 1609.224 169995.4771066667 1609.224 391.14886666666666 87365.27666666666 161823.69333333333 235600.56 364796.7066666667 1609.224 159471.3362875 -1
1026 338.18216979869135 9.377347 4193.36714 4728.7554 4193.36714 4728.7554 5184.035766666667 4484.145533333333 4413.1385 3981.0018 2904.5141000000003 4728.7554 4226.82890625 -1
5890 338.3421845802497 23.790241 238492.55373333336 43662.582 238492.55373333336 43662.582 69915.348 96618.53 166023.95599999998 352604.5833333333 507300.35133333335 43662.582 226315.6805 2
557 338.94907789126125 2.3192205 4965.207263333333 6060.628 4965.207263333333 6060.628 6905.153166666667 6922.664566666666 4753.576333333333 5241.7559 1002.88635 6060.628 5033.671059375 -1
2838 339.2562185035865 16.614258 85930.94156266665 0.0 85930.94156266665 0.0 1915.52148 52054.136666666665 82239.05333333334 125616.70966666668 167829.28666666665 0.0 80560.257715 2
3081 339.25761315007657 17.296131 19238.31431333333 0.0 19238.31431333333 0.0 1286.5199 11755.233 18670.660666666667 28696.072333333334 35783.085666666666 0.0 18035.91966875 -1
2970 339.2577645216504 17.015368 30928.273733333328 945.0989 30928.273733333328 945.0989 1535.024666666667 19975.176333333333 31580.592666666664 45294.32866666667 56256.246333333336 945.0989 29054.32530625 -1
4638 341.0186955661964 21.675596 6100.85868 30567.11 6100.85868 30567.11 24803.0318 2386.6141666666667 620.3579666666666 1336.2568333333334 1358.0326333333337 30567.11 7629.9993875 -1
5127 341.01914313971463 22.507313 6247.595373333333 3957.8142 6247.595373333333 3957.8142 20785.67346666667 4390.169133333334 1915.2116666666664 2042.4478666666664 2104.474733333333 3957.8142 6104.48405 -1
1449 341.10185881051416 12.014197 47078.81826666666 31835.262 47078.81826666666 31835.262 48638.19933333333 50179.156333333325 42760.082 48894.5 44922.15366666667 31835.262 46126.096000000005 2
1318 341.1023859124829 11.58378 11187.7792 9580.735 11187.7792 9580.735 11358.546 11982.123333333331 11298.499666666665 10496.555333333332 10803.171666666669 9580.735 11087.3389375 -1
1030 343.1446827258784 9.380747 870.2261746666666 1347.8088 870.2261746666666 1347.8088 1019.8705666666668 1370.8359666666668 1310.6262333333332 535.7681733333334 114.02993333333336 1347.8088 900.0750887500001 -1
1838 343.2256723899385 13.27994 16557.367662 214.25629 16557.367662 214.25629 71.93901 2502.8563 15162.888666666668 27681.18333333333 37367.971 214.25629 15535.92320125 -1
1557 343.2259211895014 12.315335 16487.971013333332 0.0 16487.971013333332 0.0 0.0 2810.0532666666663 10358.688799999998 26287.63433333333 42983.47866666667 0.0 15457.472825 -1
1996 343.2934926886606 13.88633 21869.924066666663 23359.834 21869.924066666663 23359.834 19123.781000000003 20254.57633333333 22269.138000000003 28115.921 19586.204 23359.834 21963.0434375 -1
1889 345.2372361712975 13.510018 3244.069550666666 0.0 3244.069550666666 0.0 0.0 623.17972 1347.4651666666666 5719.865866666667 8529.837 0.0 3041.31520375 -1
2761 345.2408202252003 16.556622 45523.7815 1161.8706 45523.7815 1161.8706 788.6341666666667 26187.74233333333 43877.694 66179.56366666667 90585.27333333332 1161.8706 42751.16206875 -1
1348 349.18951702316133 11.65615 707.3223773333333 220.98122 707.3223773333333 220.98122 69.13237 535.0554233333334 510.3584166666667 910.9019433333332 1511.1637333333335 220.98122 676.926055 -1
100 352.7718134868797 1.6714978 2985.2608266666666 4582.4565 2985.2608266666666 4582.4565 3494.1093 2862.663666666667 3195.9460333333336 3616.9364333333338 1756.6486999999995 4582.4565 3085.08555625 -1
2643 353.2117122132057 16.09266 12722.823325333336 417.908 12722.823325333336 417.908 184.06886 4793.191766666667 7323.960333333333 15027.096333333337 36285.799333333336 417.908 11953.7661175 -1
1840 353.22921277138374 13.297114 5462.73844 2290.9111 5462.73844 2290.9111 3614.4013666666665 3554.5540333333333 4874.6116 6713.102533333334 8557.022666666666 2290.9111 5264.49923125 -1
1475 353.229871502236 12.085238 9239.082486666668 2846.4983 9239.082486666668 2846.4983 2240.7621 4955.143333333333 7946.766666666666 12428.910666666665 18623.82966666667 2846.4983 8839.545975 -1
1360 353.23018984385925 11.69795 41505.15372000001 2841.74 41505.15372000001 2841.74 3076.9672666666665 29327.244666666666 31744.137 59495.16633333333 83882.25333333334 2841.74 39088.6903625 2
1141 353.2305642300568 10.615951 58845.84656666667 0.0 58845.84656666667 0.0 0.0 12144.064166666669 48182.84 96395.73866666669 137506.59 0.0 55167.98115625 -1
4387 355.07063659176646 20.995901 4918.220946666667 376502.9 4918.220946666667 376502.9 4110.393666666667 4364.887033333333 3869.9074 4131.8261 8114.090533333333 376502.9 28142.2633875 -1
3087 355.23974891040416 17.292055 2045.6283626666668 668.38324 2045.6283626666668 668.38324 513.4669466666667 1889.3631 2028.321233333333 2820.1391666666664 2976.851366666667 668.38324 1959.5505425 -1
1858 355.2443295486213 13.384944 10791.833349333336 0.0 10791.833349333336 0.0 225.72288 2100.4495333333334 9556.653333333334 14666.69 27409.651 0.0 10117.343765 -1
1531 355.24675517308424 12.215039 30423.9299 0.0 30423.9299 0.0 0.0 11078.067833333333 24905.929000000004 48331.439333333336 67804.21333333333 0.0 28522.43428125 -1
1268 355.24685538276435 11.329137 99971.83133333336 0.0 99971.83133333336 0.0 0.0 33424.53566666667 80783.679 155746.83866666668 229904.10333333336 0.0 93723.591875 2
2822 356.2740107357526 16.62762 1258.646027333333 0.0 1258.646027333333 0.0 71.60319 795.84708 1384.8068666666668 1551.1140666666668 2489.8589333333334 0.0 1179.9806506250002 -1
2975 356.275688184103 17.00018 2385.752917333333 429.2018 2385.752917333333 429.2018 146.65322 1552.1367 2463.712233333333 2927.8164 4838.446033333333 429.2018 2263.4684725 -1
4680 359.06189875433256 21.681934 894.3085953333333 2457.3533 894.3085953333333 2457.3533 4400.456543333333 71.08643333333333 0.0 0.0 0.0 2457.3533 991.998889375 -1
4388 359.0641412322734 20.907333 0.0 11158.907 0.0 11158.907 0.0 0.0 0.0 0.0 0.0 11158.907 697.4316875 -1
1946 359.2197890686824 13.685988 11153.70446 0.0 11153.70446 0.0 0.0 2341.028933333333 5349.2097 25236.553333333333 22841.73033333333 0.0 10456.59793125 -1
2445 359.2212790801896 15.578765 6546.015204666667 842.7081 6546.015204666667 842.7081 624.38779 7787.251933333333 5299.565966666666 8805.808333333334 10213.062 842.7081 6189.558510625 -1
5874 360.3218423503697 23.816875 504.802882 0.0 504.802882 0.0 0.0 0.0 325.9728666666667 643.59921 1554.4423333333334 0.0 473.252701875 -1
1582 361.23843661557447 12.338823 11016.328476 0.0 11016.328476 0.0 141.84578 3114.534733333334 6384.366866666666 16804.910666666667 28635.98433333333 0.0 10327.80794625 -1
1848 361.2480479205881 13.334726 19740.65043 843.3396 19740.65043 843.3396 683.2534833333333 3122.7100000000005 19500.695000000003 29349.67433333333 46046.91933333333 843.3396 18559.568503125 -1
2777 363.2579668725024 16.5608 66009.23270666666 1429.0356 66009.23270666666 1429.0356 1837.9982 37477.663 64052.765666666666 96062.53666666668 130615.2 1429.0356 61972.9703875 -1
799 365.0449841039283 3.7333553 17033.728704666668 0.0 17033.728704666668 0.0 1145.415523333333 12871.067 13193.172333333334 51871.40266666666 6087.586 0.0 15969.120660624998 -1
1482 365.1050696608211 12.135384 2155.9984293333337 908.9185 2155.9984293333337 908.9185 1144.68868 2769.5264 2451.6242 2527.0921 1887.0607666666667 908.9185 2078.05593375 -1
566 365.1063883272626 2.3275793 49462.783333333326 64859.41 49462.783333333326 64859.41 59811.33 49215.59766666667 48128.42833333334 44308.38566666667 45850.175 64859.41 50425.0725 -1
3012 365.26659055313786 17.09106 9218.452232 304.59656 9218.452232 304.59656 75.47919333333333 4036.158333333333 10100.7578 13749.3975 18130.46833333333 304.59656 8661.3362525 -1
1995 365.27554232865776 13.88633 8431.735113333332 9480.34 8431.735113333332 9480.34 7128.397633333333 8215.541 9332.926666666666 10422.953666666666 7058.8566 9480.34 8497.27291875 -1
1903 366.2494289826757 13.552024 4460.23436 6059.6675 4460.23436 6059.6675 4799.783666666667 4812.8025333333335 5047.206666666667 3942.007133333333 3699.3718 6059.6675 4560.198931249999 -1
1998 366.2663312822152 13.882151 2574.8569533333334 3155.2888 2574.8569533333334 3155.2888 2207.0313666666666 2896.8571333333334 2256.512166666667 2871.9181000000003 2641.966 3155.2888 2611.13394375 -1
1308 367.2652551422504 11.546171 7195.624673333334 8481.111 7195.624673333334 8481.111 7166.4456666666665 7147.0053333333335 7270.563666666666 6910.4569 7483.6518 8481.111 7275.967568749999 -1
151 368.7323072244038 1.7174658 6397.702746666667 7076.5405 6397.702746666667 7076.5405 6554.860466666668 6209.084666666667 6402.105633333334 6313.552433333333 6508.910533333333 7076.5405 6440.13010625 -1
1853 369.19735567127935 13.324591 2173.817196666667 1818.318 2173.817196666667 1818.318 1498.3143833333334 1193.7644666666667 2592.800366666667 2557.3169 3026.889866666667 1818.318 2151.598496875 -1
1468 369.2006063866853 12.059 3842.234352 395.91846 3842.234352 395.91846 491.8533933333333 953.0414333333332 2945.921833333334 6502.269433333332 8318.085666666666 395.91846 3626.83960875 -1
1362 369.2052808586899 11.724367 23915.34795666666 483.9226 23915.34795666666 483.9226 447.52645 22710.058 22260.08566666667 32502.410666666663 41656.659 483.9226 22450.883871875 -1
1143 369.2062646020051 10.627094 34225.55369333333 0.0 34225.55369333333 0.0 0.0 4277.054966666667 26020.455166666667 59843.66733333333 80986.591 0.0 32086.4565875 -1
152 370.7636951679722 1.7174658 11158.678466666668 11410.399 11158.678466666668 11410.399 10874.903666666669 10786.653333333334 11173.841166666669 11425.652166666669 11532.342 11410.399 11174.411 -1
4639 371.1020655757157 21.743097 92789.72513333334 430177.53 92789.72513333334 430177.53 363046.6333333333 20731.099 18837.90633333333 31026.616 30306.371000000003 430177.53 113876.4629375 -1
4389 371.1021017073791 20.973513 15651.420333333332 1450690.9 15651.420333333332 1450690.9 11587.643333333332 17202.604666666666 12342.712 13717.185666666666 23406.956 1450690.9 105341.3878125 -1
5129 371.10213774331714 22.56714 96328.65653333331 0.0 96328.65653333331 0.0 301532.73333333334 81534.31333333334 15182.343 42835.399333333335 40558.49366666667 0.0 90308.1155 -1
5332 371.10230613065096 22.971188 181535.90333333332 44983.516 181535.90333333332 44983.516 81734.71500000001 603528.98 49298.670333333335 57298.56133333334 115818.59 44983.516 173001.37912500004 -1
1899 371.2044198399529 13.535308 2628.682733333333 2125.2197 2628.682733333333 2125.2197 2723.286666666667 2377.718233333333 2602.7990666666665 2516.116066666667 2923.493633333333 2125.2197 2597.21629375 -1
1532 371.2176752916678 12.2304735 9203.109373333336 250.48178 9203.109373333336 250.48178 0.0 3471.763666666667 8030.539866666667 15285.707666666663 19227.535666666667 250.48178 8643.57014875 -1
1258 371.2188928294675 11.237566 39666.09849866666 0.0 39666.09849866666 0.0 71.02782666666667 14834.829333333331 35512.22866666666 64634.05333333334 83278.35333333333 0.0 37186.9673425 -1
1067 372.1639777057495 9.811948 2909.4747139999995 7184.739 2909.4747139999995 7184.739 6872.420166666667 3302.5283 2372.1496666666667 1546.5298666666663 453.74557 7184.739 3176.6787318750003 -1
3331 372.3500888089352 17.998302 21155.791133333336 20378.078 21155.791133333336 20378.078 52906.272 10185.006833333333 13821.474500000002 13389.108666666669 15477.093666666668 20378.078 21107.1840625 -1
153 372.7624607803064 1.7174658 3226.0507933333333 3602.3413 3226.0507933333333 3602.3413 3444.736833333334 3057.2352666666666 3254.0105000000003 3147.5011 3226.7702666666664 3602.3413 3249.56895 -1
1411 373.2052887425693 11.913905 28505.68993333333 101252.74 28505.68993333333 101252.74 94015.97333333331 14313.205333333332 12893.926666666666 11339.097333333331 9966.247 101252.74 33052.3805625 2
906 373.5540568561815 4.864379 36321.268233333336 2761.9487 36321.268233333336 2761.9487 4519.024833333333 12240.827666666666 76860.92266666667 75868.96533333333 12116.600666666667 2761.9487 34223.8107625 -1
2439 375.1931187334785 15.57041 3763.81702 975.3174 3763.81702 975.3174 1187.1523333333334 3709.5577333333335 3034.6247666666663 6461.370166666667 4426.3801 975.3174 3589.5357937500003 -1
1952 375.1945793131955 13.685743 4871.736 1411.7257 4871.736 1411.7257 1284.2254333333333 2801.3025 4104.076833333333 7098.9359 9070.139333333333 1411.7257 4655.48535625 -1
1424 375.2166687746059 11.964047 64464.178133333335 21727.904 64464.178133333335 21727.904 23207.59766666667 60302.73666666666 67818.018 78951.965 92040.57333333332 21727.904 61793.16099999999 2
1203 375.2172500213353 11.069791 12361.018879999998 38545.402 12361.018879999998 38545.402 35546.14633333333 7275.629866666667 5489.7177 7289.8665 6203.734 38545.402 13997.542825 -1
991 375.26331814331786 8.771405 71569.41686666667 61971.477 71569.41686666667 61971.477 90033.29466666665 64988.88733333334 69780.207 76240.044 56804.651333333335 61971.477 70969.545625 -1
4429 376.1022409921829 21.008083 14.68302 4856.5176 14.68302 4856.5176 73.4151 0.0 0.0 0.0 0.0 4856.5176 317.29768125 -1
2832 377.2112943534806 16.622484 7670.980834666668 0.0 7670.980834666668 0.0 143.55230666666668 3990.6636 5975.890433333334 12803.580166666668 15441.217666666666 0.0 7191.5445325 -1
2978 377.2118027168826 16.992783 2785.4877340000003 0.0 2785.4877340000003 0.0 81.09593666666667 1801.4338 2949.1586 4026.1534 5069.596933333333 0.0 2611.394750625 -1
1345 377.2287450089996 11.5606365 74461.86949666667 837.52905 74461.86949666667 837.52905 81.29715 29777.04233333333 65437.63666666666 116163.62133333331 160849.75 837.52905 69860.34821875 2
1859 377.2291078352381 13.387204 30686.72635333333 5124.8184 30686.72635333333 5124.8184 1159.7531 16204.814666666667 30530.764 44363.63066666666 61174.66933333333 5124.8184 29089.10710625 -1
1603 377.2298072666836 12.434844 17736.412973333336 1113.6813 17736.412973333336 1113.6813 355.1322 4598.741666666667 8339.622 33783.494666666666 41605.07433333333 1113.6813 16697.49224375 2
2010 379.2432925345697 14.049301 4499.370405333333 349.9059 4499.370405333333 349.9059 284.53092666666663 4459.740966666667 3332.5577 5762.2570000000005 8657.765433333334 349.9059 4240.02887375 -1
186 380.7761884477157 1.7174658 8615.017593333332 10243.7 8615.017593333332 10243.7 8997.052000000001 8773.549 8431.106433333332 8334.458533333333 8538.921999999999 10243.7 8716.81024375 -1
549 381.0798012183099 2.3192205 1715595.8133333337 2150159.8 1715595.8133333337 2150159.8 2010895.1666666667 1714242.1666666667 1736244.0 1627228.2333333334 1489369.5 2150159.8 1742756.0625 -1
94 381.08010796326687 1.6547832 1414270.5933333333 2248743.8 1414270.5933333333 2248743.8 1319557.7 1482635.6333333335 1404416.066666667 1457319.7666666666 1407423.8 2248743.8 1466425.1687500002 -1
1994 381.2524938176052 13.88633 13132.294353333333 9965.092 13132.294353333333 9965.092 8600.721766666667 10747.212333333337 13396.622 18270.32533333333 14646.590333333334 9965.092 12934.34420625 -1
2237 383.22677500279497 14.805926 8628.035866666667 0.0 8628.035866666667 0.0 0.0 2130.732066666667 4335.255766666666 14918.5425 21755.649 0.0 8088.783624999999 -1
1305 384.2957079467585 11.541993 8527.358573333335 10241.17 8527.358573333335 10241.17 8376.860666666667 7442.589 9444.3505 8391.9482 8981.044500000002 10241.17 8634.471787499999 -1
2778 385.2424630539267 16.560658 23194.54595333333 0.0 23194.54595333333 0.0 495.1063 7568.488133333332 16580.817666666666 42499.751 48828.56666666666 0.0 21744.88683125 -1
154 386.74179761223405 1.7174658 40460.84986666666 43502.86 40460.84986666666 43502.86 41808.517666666674 39057.899 39209.83733333333 40615.824 41612.17133333333 43502.86 40650.9755 -1
3011 387.2582062062598 17.108969 5076.073013333333 981.68896 5076.073013333333 981.68896 990.1584 4847.0160000000005 4488.395100000001 7846.481166666667 7208.314399999999 981.68896 4820.174010000001 -1
951 388.2538574887509 6.955273 1072.441356 444.77234 1072.441356 444.77234 209.28136666666668 707.9856566666667 278.35895666666664 3386.3322000000003 780.2486 444.77234 1033.2120425 -1
155 388.7398349227006 1.7174658 15122.1248 15741.693 15122.1248 15741.693 15326.053333333331 14625.829333333331 14733.928 15434.233666666669 15490.579666666668 15741.693 15160.8478125 -1
5001 389.1136711944899 22.37807 3568.811386666667 5339.2256 3568.811386666667 5339.2256 13364.853333333334 4135.084533333334 344.11906666666664 0.0 0.0 5339.2256 3679.462275 -1
4920 389.1139821343618 22.265945 2583.787146666667 23854.635 2583.787146666667 23854.635 11641.977433333332 1276.9583 0.0 0.0 0.0 23854.635 3913.2151375 -1
5627 389.11492467522805 23.501284 1406.9540053333335 203.93471 1406.9540053333335 203.93471 880.8704166666666 1094.0343466666666 4741.055 149.84165333333334 168.96860999999998 203.93471 1331.765299375 -1
703 389.8971389650211 2.9669583 12719.602119999998 14949.052 12719.602119999998 14949.052 13575.360666666666 10887.613166666666 9930.6101 14876.24 14328.186666666666 14949.052 12858.9427375 -1
203 390.7413630187356 1.7007512 1812.3787133333333 1915.6278 1812.3787133333333 1915.6278 1805.6452666666669 1753.2393 1825.3862333333332 1781.4211666666667 1896.2016 1915.6278 1818.83178125 -1
428 390.7852067581928 2.0099864 1395.0424913333334 1044.9519 1395.0424913333334 1044.9519 1277.36909 1589.7548666666669 1441.6724000000002 1545.2724333333335 1121.1436666666666 1044.9519 1373.161829375 -1
5490 391.2859759434308 23.246988 98364.35326666669 101813.32 98364.35326666669 101813.32 112421.60666666667 84166.51033333334 75840.67666666665 104801.206 114591.76666666666 101813.32 98579.9136875 -1
1697 392.1931182435189 12.749684 127502.85406666668 138194.75 127502.85406666668 138194.75 128660.72666666668 129271.06333333334 141761.09666666668 118611.337 119210.04666666668 138194.75 128171.0975625 -1
1281 393.2075324890546 11.466776 35373.93977333334 1877.7458 35373.93977333334 1877.7458 1981.1028666666668 6589.503333333333 20274.889333333336 64603.49166666666 83420.71166666667 1877.7458 33280.42765 -1
1929 395.2289636732048 13.706635 2162.32879 705.02295 2162.32879 705.02295 1220.5376166666665 1372.6811666666665 1877.9021333333333 2368.4364666666665 3972.086566666667 705.02295 2071.247175 -1
1208 395.2380489734997 11.096701 6059.438602666666 0.0 6059.438602666666 0.0 0.0 1145.1025466666667 2614.190533333333 3772.7456 22765.154333333336 0.0 5680.723690000001 -1
1695 397.14917623814006 12.749684 28041.407 29730.61 28041.407 29730.61 27339.056666666667 28595.624333333337 29493.98833333333 27065.99266666667 27712.373000000003 29730.61 28146.9821875 -1
1564 397.2484575031381 12.311773 1964.6923046666664 0.0 1964.6923046666664 0.0 0.0 0.0 627.40449 2677.836333333333 6518.220700000001 0.0 1841.899035625 -1
1418 397.2520077783046 11.9393425 4378.4463866666665 0.0 4378.4463866666665 0.0 0.0 0.0 1326.4927333333333 8553.8022 12011.937 0.0 4104.7934875 -1
1159 397.2540103472893 10.822108 15972.806585333334 0.0 15972.806585333334 0.0 0.0 320.01616 4151.1361 24312.49 51080.390666666666 0.0 14974.50617375 -1
2232 399.21198503864383 14.811968 4884.265374666666 0.0 4884.265374666666 0.0 132.44490666666667 0.0 0.0 10965.7593 13323.122666666664 0.0 4578.998788749999 -1
2781 401.21848679888575 16.561047 4670.4788266666665 0.0 4670.4788266666665 0.0 0.0 2603.134 5615.202833333334 6768.503833333333 8365.553466666666 0.0 4378.5739 -1
1837 401.23011636441447 13.27131 37344.55183733333 502.381 37344.55183733333 502.381 453.7741866666666 13241.973 30627.47766666667 58133.23433333333 84266.29999999999 502.381 35041.91616 -1
1570 401.23102210884775 12.35391 32997.37638 231.71184 32997.37638 231.71184 0.0 9939.894233333334 25946.384 52914.61233333333 76185.99133333334 231.71184 30949.52234625 -1
2014 401.2318168591855 14.036764 9512.58918666667 569.4916 9512.58918666667 569.4916 967.2095333333332 4500.777166666667 8125.146233333333 13864.520666666667 20105.29233333333 569.4916 8953.6455875 -1
1877 403.243865771388 13.490645 8022.130292 0.0 8022.130292 0.0 70.83142666666667 2974.763433333333 5847.579933333333 13007.051666666666 18210.425 0.0 7520.747148750001 -1
665 410.8147570825707 2.7371213 2879.828833333333 2242.6404 2879.828833333333 2242.6404 2624.6553666666664 1982.5750666666663 4721.318566666667 2453.3423000000003 2617.2528666666667 2242.6404 2840.00455625 -1
1025 411.17539179575454 9.40242 4680.018593333333 4272.352 4680.018593333333 4272.352 5163.3875333333335 3866.455566666666 4444.179133333334 4521.2763 5404.7944333333335 4272.352 4654.539431249999 -1
1190 411.21318202651 11.040296 2751.0401759999995 204.90088 2751.0401759999995 204.90088 66.91389 455.9090233333333 1559.437466666667 2952.2856666666667 8720.654833333332 204.90088 2591.90647 -1
412 412.776804245263 2.0099874 2925.6678533333334 4256.178 2925.6678533333334 4256.178 2386.6977333333334 4235.400233333333 2427.7375 2193.742466666667 3384.7613333333334 4256.178 3008.8247375 -1
5492 413.2709951747343 23.246988 10073.924673333337 7809.2417 10073.924673333337 7809.2417 10939.430166666663 6358.725200000001 7746.722333333334 10735.549333333332 14589.196333333331 7809.2417 9932.3819875 -1
1812 414.3015487770779 13.217715 77524.0186 77278.13 77524.0186 77278.13 72189.79 79790.85333333333 81500.31000000001 78186.018 75953.12166666666 77278.13 77508.6505625 -1
2196 414.3018533706973 14.71793 12827.586766666667 13630.384 12827.586766666667 13630.384 13679.421333333332 13274.479666666666 12159.408333333333 12903.1775 12121.447 13630.384 12877.76159375 -1
2092 414.3018712357247 14.354361 61897.736466666654 59027.727 61897.736466666654 59027.727 59429.95233333333 64479.59 61741.91566666667 65450.06100000001 58387.16333333333 59027.727 61718.360875 2
5942 415.0397273416439 23.835144 10214.8549 5916.258 10214.8549 5916.258 2946.7336333333333 26056.65066666667 2638.8625 5643.7357 13788.292 5916.258 9946.19259375 -1
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3343 476.2784843812029 18.031729 20075.84406666666 25076.299 20075.84406666666 25076.299 27937.911 21810.269666666663 20001.903333333332 17387.84 13241.296333333332 25076.299 20388.3725 -1
970 476.307491552028 7.7726626 2059.5389466666666 886.9678 2059.5389466666666 886.9678 1238.7224 1613.3475 1496.2196333333334 4244.9702 1704.4350000000002 886.9678 1986.25325 -1
2912 478.29472683875446 16.870054 139279.672 133275.25 139279.672 133275.25 133155.45333333334 147236.29666666666 147249.36666666667 145940.80000000002 122816.44333333334 133275.25 138904.395625 -1
3048 478.2949374393157 17.229397 146352.70433333336 92173.195 146352.70433333336 92173.195 109197.635 138140.02 158284.33333333334 178293.30666666664 147848.22666666668 92173.195 142966.485 -1
3705 478.33255613654256 18.980343 8635.392513333332 7183.5903 8635.392513333332 7183.5903 9644.596333333331 8866.995 9794.764333333333 8602.371799999999 6268.235100000001 7183.5903 8544.654875 -1
3594 480.31047485239753 18.63349 103515.57993333333 81466.83 103515.57993333333 81466.83 94088.07333333336 92041.16 101998.39 121130.14133333332 108320.135 81466.83 102137.5330625 -1
3412 480.3106244913944 18.232344 76683.22546666667 58808.887 76683.22546666667 58808.887 62410.05866666667 72950.88533333334 75702.12333333334 88922.46999999999 83430.59 58808.887 75566.0793125 -1
1686 482.2959580850317 12.741327 7639.307346666666 11186.834 7639.307346666666 11186.834 5036.195633333334 7386.128433333332 9583.243 9399.175666666668 6791.793999999999 11186.834 7861.0277625 -1
4370 482.32788082551616 20.906813 168771.49733333336 147085.83 168771.49733333336 147085.83 203195.59 185995.3 145361.22666666663 159517.85666666666 149787.51333333334 147085.83 167416.143125 -1
4169 482.3280492547681 20.171303 22941.1344 18605.506 22941.1344 18605.506 22252.91533333333 22185.48633333333 20839.808 24966.834000000003 24460.62833333333 18605.506 22670.157625 -1
1356 483.1531992645285 11.6913 2885.9319746666665 0.0 2885.9319746666665 0.0 0.0 878.5521066666666 4068.336800000001 4633.279633333333 4849.491333333333 0.0 2705.56122625 -1
1970 483.3515324731868 13.73589 3431.239313333333 2963.391 3431.239313333333 2963.391 3651.682433333333 3420.993 3260.0020666666665 3379.5853666666667 3443.9337 2963.391 3401.99879375 -1
2384 484.3492201356843 15.290432 11456.839773333331 10343.939 11456.839773333331 10343.939 14677.779333333334 10786.398466666667 10840.678566666667 11093.959333333332 9885.383166666668 10343.939 11387.283475 -1
311 484.7183697261078 1.8511916 38335.553933333336 56459.656 38335.553933333336 56459.656 54600.36033333334 40345.273 30397.10233333333 31440.788 34894.24599999999 56459.656 39468.310312500005 -1
1847 485.15091797715655 13.305473 3647.188586666666 3616.037 3647.188586666666 3616.037 3465.328766666667 3149.1939666666663 3513.385 4747.922299999999 3360.1129 3616.037 3645.2416125 -1
1040 485.16037196194674 9.540596 10251.026253333332 0.0 10251.026253333332 0.0 0.0 3049.8932666666665 10689.358666666669 14573.187333333331 22942.692 0.0 9610.3371125 -1
1083 485.1614105053136 10.008627 3695.81536 0.0 3695.81536 0.0 0.0 1825.4422333333328 5044.691333333333 5706.408466666668 5902.534766666667 0.0 3464.8269 -1
1825 488.2789829845317 13.246965 6147.309373333334 10239.404 6147.309373333334 10239.404 5421.9978 6546.3659 7893.664333333334 6466.0746 4408.444233333334 10239.404 6403.0652875 -1
2095 488.2802073787793 14.354361 6736.301859999999 5625.9766 6736.301859999999 5625.9766 6319.832333333335 6679.3013 5517.009999999999 6961.397666666667 8203.968 5625.9766 6666.90653125 -1
2198 488.28102158976486 14.722107 2687.88774 3113.7075 2687.88774 3113.7075 3031.23 2713.0383 2556.6615 2607.275833333333 2531.2330666666667 3113.7075 2714.501475 -1
2403 489.30078169628126 15.332221 1007.0882006666666 639.83435 1007.0882006666666 639.83435 774.8109 875.2062466666666 1178.3831333333335 1078.66899 1128.3717333333334 639.83435 984.134835 -1
4442 491.3764863116552 21.007105 10256.39902 6501.3433 10256.39902 6501.3433 10247.074333333332 10126.993333333334 7108.120333333333 9249.676433333334 14550.130666666666 6501.3433 10021.7080375 -1
2834 494.3263578605445 16.627665 23530.577 32672.447 23530.577 32672.447 37171.06 22825.755 19128.239 19788.796 18739.035 32672.447 24101.943875 -1
3480 496.34112039448144 18.403656 110669.13613333336 90113.21 110669.13613333336 90113.21 106784.38199999998 106593.09 117594.58666666668 106269.89 116103.732 90113.21 109384.39075 -1
3697 496.3412164917178 18.9678 804320.9146666665 1257353.1 804320.9146666665 1257353.1 1332522.6 867569.75 723957.6033333334 659297.7799999999 438256.84 1257353.1 832635.42625 15
606 496.83920786339183 2.5114646 1785.9674433333332 4793.658 1785.9674433333332 4793.658 1733.0147333333334 1719.6765166666669 1433.8704333333335 1400.0415 2643.2340333333336 4793.658 1973.948103125 -1
2909 500.2776603696482 16.865866 9277.032486666669 8241.785 9277.032486666669 8241.785 8529.175666666668 8906.245433333333 9630.751333333334 10324.631666666666 8994.358333333334 8241.785 9212.32951875 -1
3052 500.27782037409423 17.229397 9487.691286666666 6376.344 9487.691286666666 6376.344 7290.074433333332 8661.870666666666 10111.627333333334 11589.343333333332 9785.540666666666 6376.344 9293.232081249998 -1
1968 500.3806317946271 13.752606 49946.07720000001 57460.8 49946.07720000001 57460.8 49899.49733333333 50997.31566666666 49275.42566666667 50717.527 48840.62033333333 57460.8 50415.747375000006 -1
550 501.0394006301939 2.3192205 15911.810666666666 17488.209 15911.810666666666 17488.209 15031.182333333332 15971.681000000002 15919.423666666667 16433.876666666667 16202.889666666668 17488.209 16010.3355625 -1
2935 502.2943707619105 16.920177 373454.5526666667 327551.2 373454.5526666667 327551.2 360051.9766666666 370293.9566666667 384705.8633333333 404193.3833333333 348027.5833333333 327551.2 370585.593125 2
3041 502.2948706977866 17.22522 318822.9866666666 176883.92 318822.9866666666 176883.92 207405.14 284157.29 349680.69999999995 403129.12666666665 349742.6766666667 176883.92 309951.795 2
3413 502.296727972049 18.232344 11210.85434 9646.513 11210.85434 9646.513 9943.379666666666 9816.413866666668 11654.547833333332 12999.071666666665 11640.858666666669 9646.513 11113.08300625 -1
3596 502.296782056044 18.63349 11429.842600000002 10590.233 11429.842600000002 10590.233 10977.921333333332 10133.220666666666 11139.349333333334 12931.051 11967.670666666669 10590.233 11377.367 -1
1195 504.2745775121658 11.040541 1349.934983333333 1358.9077 1349.934983333333 1358.9077 1414.2268 1183.3344666666665 1889.7811 1219.6730333333333 1042.6595166666668 1358.9077 1350.495778125 -1
4371 504.3096089126773 20.90681 13294.857933333336 7985.5806 13294.857933333336 7985.5806 15766.459333333332 14194.611666666666 9617.317666666668 13400.448 13495.453 7985.5806 12963.0281 -1
3251 504.3109882043631 17.697426 27578.44 22275.268 27578.44 22275.268 22563.535333333333 25891.005 28138.108 31935.512666666666 29364.039 22275.268 27246.99175 -1
3349 504.3116079680068 18.031729 28218.32706666667 14770.708 28218.32706666667 14770.708 16857.98 22700.977 28529.175000000003 36829.141 36174.36233333333 14770.708 27377.850875 -1
4166 504.3156673253234 20.150408 2163.9922866666666 1148.232 2163.9922866666666 1148.232 2073.3867333333333 2349.062433333333 1746.1124 2301.2166 2350.183266666667 1148.232 2100.50726875 -1
3743 504.3405213351887 19.097355 1735.6039800000003 2389.0308 1735.6039800000003 2389.0308 2567.7406333333333 1644.9793000000002 1640.5174333333334 1448.528266666667 1376.2542666666668 2389.0308 1776.44315625 -1
1965 505.331403324882 13.744249 3703.058533333333 4231.292 3703.058533333333 4231.292 4086.8566666666666 3489.2687666666666 3842.2846 3371.488833333333 3725.3938 4231.292 3736.073125 -1
3352 506.3379421885993 18.00249 2720.4094466666666 1290.533 2720.4094466666666 1290.533 2069.5708 2673.259466666667 2476.547533333334 3232.874533333333 3149.7949000000003 1290.533 2631.04216875 -1
2714 506.3528462833414 16.38946 8105.1746 1304.1757 8105.1746 1304.1757 7811.780200000001 9833.872333333336 11819.693333333336 5153.722 5906.805133333332 1304.1757 7680.11216875 -1
3020 508.2901275612343 17.099867 3309.1284466666666 1384.0026 3309.1284466666666 1384.0026 2043.7429333333328 2573.5228 3431.1797 4134.087733333334 4363.109066666667 1384.0026 3188.80808125 -1
105 508.69630783123023 1.7007501 4092.517893333333 4587.327 4092.517893333333 4587.327 4550.082033333333 4554.8152 3992.318866666667 2846.2537 4519.1196666666665 4587.327 4123.443462499999 -1
3575 509.2999235650311 18.595896 3336.489533333333 5203.858 3336.489533333333 5203.858 5353.432533333334 3536.263466666667 2749.9711 3098.238933333333 1944.5416333333333 5203.858 3453.2000625 -1
2814 516.313766726147 16.619308 3568.696153333333 6580.5244 3568.696153333333 6580.5244 4683.165233333333 2815.3746 3767.5109333333335 4112.0428 2465.3872 6580.5244 3756.93541875 -1
551 517.0135439766528 2.3192205 136330.116 146193.33 136330.116 146193.33 132030.36666666667 139210.5 137235.11 137387.8966666667 135786.7066666667 146193.33 136946.566875 -1
1693 517.3274864618348 12.745507 1410.511686666667 1509.409 1410.511686666667 1509.409 1410.2064 1531.022066666667 1365.7564666666665 1525.7961666666667 1219.7773333333334 1509.409 1416.69276875 -1
3473 518.3234956607101 18.382761 5071.434513333333 5250.703 5071.434513333333 5250.703 6524.352333333333 5166.084 4848.636933333333 4954.087333333333 3864.011966666667 5250.703 5082.63879375 -1
3698 518.3244727631611 18.967802 53476.43506666667 72909.52 53476.43506666667 72909.52 86345.57666666666 57064.59966666667 47960.96266666666 44553.11566666667 31457.92066666666 72909.52 54691.002875000006 -1
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3136 520.3413309402374 17.429981 361378.9866666667 564556.75 361378.9866666667 564556.75 609486.6333333333 360038.3466666667 306961.29333333333 307442.0933333333 222966.56666666665 564556.75 374077.596875 15
3288 520.3422834942163 17.831158 220971.14833333332 264152.3 220971.14833333332 264152.3 337012.6766666667 216121.44333333333 199479.57666666663 210135.21333333332 142106.8316666667 264152.3 223669.9703125 15
6105 520.5076321820056 24.015749 63699.673908 292.90643 63699.673908 292.90643 105627.28333333333 93.94020666666668 25652.47133333333 99919.998 87204.67666666667 292.90643 59736.750940625 -1
5408 521.1342934941537 23.017155 7606.529102666666 124265.27 7606.529102666666 124265.27 8595.091 9857.933 5561.320879999999 6458.4631 7559.837533333334 124265.27 14897.70040875 -1
1684 522.2908279037908 12.73297 2198.80268 6169.6787 2198.80268 6169.6787 2495.2321666666667 2021.9868666666669 2334.8338000000003 1875.7141666666664 2266.2463999999995 6169.6787 2446.98243125 -1
3729 522.3571678546468 19.101532 186385.766 266112.16 186385.766 266112.16 288122.4266666667 192374.7866666667 164733.68666666668 164655.02666666667 122042.90333333334 266112.16 191368.665625 15
3981 522.3573931989619 19.67821 148452.18300000002 173893.48 148452.18300000002 173893.48 220845.03333333333 149771.99 130624.29 139632.77333333337 101386.82833333332 173893.48 150042.2640625 15
4227 522.358457710794 20.305052 24502.214800000005 31101.885 24502.214800000005 31101.885 40913.06333333333 27476.2 19607.384 19319.590666666667 15194.836 31101.885 24914.6941875 -1
111 522.6753635477637 1.7132876 27259.03033333334 27193.787 27259.03033333334 27193.787 26322.633 25937.749 27189.047 27769.925333333333 29075.79733333333 27193.787 27254.952625 -1
3127 523.3404492792408 17.42998 4167.581373333333 6057.135 4167.581373333333 6057.135 7080.7957333333325 4426.361766666667 4047.828366666667 2868.373633333334 2414.547366666666 6057.135 4285.678475000001 -1
2934 524.2771062638237 16.916 26319.57213333333 25633.08 26319.57213333333 25633.08 25798.825 25506.033333333336 25086.44 28743.88433333333 26462.678 25633.08 26276.666375 -1
3040 524.2779823252777 17.221043 22025.601133333334 14408.541 22025.601133333334 14408.541 14675.496333333334 20787.813666666665 24754.75733333333 26808.653 23101.285333333333 14408.541 21549.534875 -1
2717 524.3712333936791 16.38946 628175.8893333334 4099.804 628175.8893333334 4099.804 877746.32 735949.1 590869.2533333334 542021.4666666667 394293.3066666666 4099.804 589171.134 15
178 524.6740945138724 1.7091075 12377.4318 12948.956 12377.4318 12948.956 12833.812333333335 12259.245333333334 12245.975 13043.222 11504.904333333334 12948.956 12413.1520625 -1
2913 526.2948689711194 16.870054 179417.71333333335 168203.12 179417.71333333335 168203.12 161910.03333333333 165366.01333333334 182022.92666666667 201712.58666666667 186077.00666666668 168203.12 178716.80125 2
3008 526.2949391959482 17.09569 298856.5593333334 111524.97 298856.5593333334 111524.97 136937.3866666667 236280.89666666664 305931.6866666667 400779.3366666666 414353.49 111524.97 287148.335 2
3255 526.3048767235376 17.684895 7074.046153333334 5470.611 7074.046153333334 5470.611 5750.759266666667 6133.930366666667 7100.005166666667 8577.313133333333 7808.222833333333 5470.611 6973.83145625 -1
130 526.6746936167292 1.6923906 2232.068373333333 2693.127 2232.068373333333 2693.127 2090.971233333333 1798.3666666666668 2510.8698666666664 2277.1327333333334 2483.0013666666664 2693.127 2260.8845375 -1
3549 530.3263768297726 18.566614 35700.48033333333 32927.445 35700.48033333333 32927.445 38303.423 32755.89933333333 33963.57366666666 38804.14966666666 34675.356 32927.445 35527.165625 -1
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1205 532.2283571197473 11.073671 63081.62858 0.0 63081.62858 0.0 9111.219566666668 49443.14033333334 64881.761 87013.36033333333 104958.66166666668 0.0 59139.02679375 8
6307 533.2890532393438 24.349709 758.774396 1043.1437 758.774396 1043.1437 221.18792666666664 0.0 0.0 678.4713866666666 2894.2126666666663 1043.1437 776.5474775 -1
6420 533.2914943018679 24.73337 2140.067581333333 213.60283 2140.067581333333 213.60283 2751.552 1281.0087 1449.0699666666667 4543.295133333333 675.4121066666667 213.60283 2019.663534375 -1
3700 534.3008365868221 18.9678 11272.309386666666 15471.146 11272.309386666666 15471.146 18840.872333333333 11532.685666666666 9656.378666666666 9785.053800000002 6546.556466666666 15471.146 11534.736675 -1
6202 536.1723137194796 24.090345 180942.63658666663 494039.8 180942.63658666663 494039.8 1139.8673333333334 193606.98666666663 706138.2166666667 2810.4617 1017.6505666666668 494039.8 200511.2093 11
6010 536.1733221511843 23.976484 302143.78527666663 413538.9 302143.78527666663 413538.9 1804.751 1235777.4433333334 272918.14666666667 130.81701666666666 87.76836666666667 413538.9 309105.97994687496 11
6267 536.1735833504123 24.20124 85463.39624666664 1265899.0 85463.39624666664 1265899.0 2487.015933333333 0.0 414138.49316666665 6452.2001666666665 4239.271966666666 1265899.0 159240.62148125 11
3448 537.2858126519639 18.320051 3745.4582999999993 2886.3416 3745.4582999999993 2886.3416 4518.521833333333 3990.1948333333335 3780.1282666666666 3562.6448 2875.801766666666 2886.3416 3691.76350625 -1
1675 538.2711844866066 12.741326 1382.577916 1440.8353 1382.577916 1440.8353 1217.1681133333334 1390.4184666666667 1447.5508333333337 1510.3188333333335 1347.4333333333332 1440.8353 1386.2190025 -1
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206 538.9929865922156 1.7258221 3322.6178866666664 3495.738 3322.6178866666664 3495.738 3173.7071 3367.6637 3544.196633333333 3161.599533333333 3365.922466666667 3495.738 3333.43789375 -1
3037 540.2558414591801 17.216856 5119.831106666666 2712.5122 5119.831106666666 2712.5122 3979.1787666666655 4411.9346000000005 5511.7956 6461.483499999999 5234.763066666666 2712.5122 4969.373675000001 -1
2206 541.388055087524 14.755539 4166.326373333333 4291.3345 4166.326373333333 4291.3345 4030.617366666667 4322.484166666666 4297.625866666666 4251.357 3929.547466666667 4291.3345 4174.139381250001 -1
3139 542.3270744197217 17.42998 26028.66806666667 29824.523 26028.66806666667 29824.523 36878.85966666666 22823.848 22701.431666666667 26970.423333333336 20768.777666666665 29824.523 26265.909 -1
3290 542.328644842944 17.831158 15838.290933333332 15599.3125 15838.290933333332 15599.3125 22883.370666666666 13915.118333333334 13868.713666666668 16952.953666666665 11571.298333333334 15599.3125 15823.354781249998 -1
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3730 544.3410120039619 19.101532 11661.671900000005 13972.852 11661.671900000005 13972.852 17187.147666666668 10894.637166666666 9929.473333333332 11336.382333333337 8960.719 13972.852 11806.12065625 -1
3984 544.3414736079006 19.674032 8584.481353333333 7700.251 8584.481353333333 7700.251 11509.620333333332 8602.168166666668 7732.047866666667 8761.129566666668 6317.440833333334 7700.251 8529.216956249998 -1
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3253 544.3423490361002 17.697426 92181.21346666664 100083.45 92181.21346666664 100083.45 127636.70133333332 88524.55133333332 86991.59333333334 93548.80133333332 64204.420000000006 100083.45 92675.10325 15
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276 690.9019182709894 1.7968645 17847.803133333335 14943.618 17847.803133333335 14943.618 17249.85533333333 17998.578333333335 18344.50766666667 18023.34633333333 17622.728 14943.618 17666.291562500002 -1
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519 702.6495198430027 2.2732542 18561.701533333333 20744.008 18561.701533333333 20744.008 17552.105666666666 16901.701 17108.483666666667 18672.691666666666 22573.525666666665 20744.008 18698.0956875 -1
4178 703.5690755993556 20.088186 185863.48978 0.0 185863.48978 0.0 8633.181 909568.5843333332 5683.788566666666 5431.895 0.0 0.0 174247.02166874998 10 4178.0 SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
4404 703.5713300403175 20.83123 494380.3816933333 0.0 494380.3816933333 0.0 1251334.9193333334 1188051.1516666666 1986.776466666667 2328.9126666666666 28200.14833333333 0.0 463481.6078375001 10 4404.0 SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
3775 703.57164996749 19.178862 255652.10174 86546.66 255652.10174 86546.66 13207.093333333332 7582.846666666667 1104.7784666666666 1256365.7902333334 0.0 86546.66 245083.01163125 10 3775.0 SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
3378 703.574088882087 18.077883 614678.9742466667 0.0 614678.9742466667 0.0 59590.30000000001 36313.691666666666 1320.8329 0.0 2976170.046666667 0.0 576261.53835625 10 3378.0 SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
3044 703.5746766427146 17.229128 345520.0134199999 161785.12 345520.0134199999 161785.12 68798.90133333333 63248.60933333333 950.6811666666669 368.63526666666667 1594233.24 161785.12 334036.58258124994 10 3044.0 SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
6132 707.1856889643677 24.08125 427.9508 11792.208 427.9508 11792.208 2139.754 0.0 0.0 0.0 0.0 11792.208 1138.216875 -1
227 712.8753767706744 1.7508949 2996.4643 2089.0225 2996.4643 2089.0225 2913.574533333333 2792.9410000000003 2983.611433333333 3117.1559666666667 3175.0385666666666 2089.0225 2939.7491875 -1
265 714.8675397241611 1.7383595 1212.21552 599.7671 1212.21552 599.7671 1113.8952 1282.1085333333333 1305.3641 1320.6989866666663 1039.01078 599.7671 1173.9374937500002 -1
3250 715.519069708008 17.684887 5000.346626666667 4712.8325 5000.346626666667 4712.8325 4619.9786 3459.2154000000005 5243.068933333333 6274.8544 5404.6158000000005 4712.8325 4982.37699375 -1
4159 716.5203255924075 20.054188 385084.20479333337 0.0 385084.20479333337 0.0 944608.088 975240.2153333334 4408.4458 1164.2748333333334 0.0 0.0 361016.4419937501 2
4263 716.5218920514801 20.372 467654.1120333333 2786747.0 467654.1120333333 2786747.0 1250738.2835 0.0 4000.279733333333 676.7302666666667 1082855.2666666666 2786747.0 612597.41753125 2
4485 716.5226724527075 21.14068 787103.6526933335 294233.88 787103.6526933335 294233.88 5216.462333333334 944.249 3285.4542 1843674.6046 2082397.4933333332 294233.88 756299.2919000001 2
4648 723.1446264013605 21.676666 4950.915599999999 53799.156 4950.915599999999 53799.156 24754.578 0.0 0.0 0.0 0.0 53799.156 8003.930625 -1
4946 725.1653368098076 22.24325 2490.652073333333 7020.626 2490.652073333333 7020.626 12453.260366666667 0.0 0.0 0.0 0.0 7020.626 2773.77544375 -1
144 726.7128533782098 1.7132865 1019.0350066666668 1530.1304 1019.0350066666668 1530.1304 956.3607666666668 1124.41 1217.9503666666667 817.4746333333333 978.9792666666666 1530.1304 1050.97846875 -1
183 728.5609750065586 1.7174658 6861.760086666665 6512.839 6861.760086666665 6512.839 6610.3460000000005 6737.2165 6737.497333333333 7034.101933333334 7189.638666666667 6512.839 6839.95251875 -1
226 728.8554445488694 1.7508948 12201.886333333336 8206.458 12201.886333333336 8206.458 10750.822666666669 11178.692666666668 12758.269 13220.112666666666 13101.534666666666 8206.458 11952.172062499998 -1
234 730.8524855853296 1.7634323 5449.4736533333335 3452.8672 5449.4736533333335 3452.8672 4859.427466666666 5562.553866666666 5422.903833333334 5599.8847 5802.5984 3452.8672 5324.68575 -1
4104 732.5630108242581 19.944384 392518.548 117830.18 392518.548 117830.18 84394.38 138724.69 59675.34333333333 1665115.4533333334 14682.873333333337 117830.18 375350.525 10 4104.0 PC(14:0/18:1); [M+H]+ C40H79N1O8P1
3905 732.5643683463535 19.483364 255936.9574 120642.195 255936.9574 120642.195 39274.79166666666 189131.18 83035.78199999999 968243.0333333332 0.0 120642.195 247481.03475 10 3905.0 PC(14:0/18:1); [M+H]+ C40H79N1O8P1
168 734.5255785507358 1.7174658 8340.077173333333 7898.9043 8340.077173333333 7898.9043 7862.1123 7986.484233333334 8083.361166666667 8625.189833333334 9143.238333333333 7898.9043 8312.50386875 -1
175 736.5231572153906 1.7049303 5760.9637533333325 5103.7827 5760.9637533333325 5103.7827 5648.284566666666 5243.637766666667 5753.006533333333 6597.515433333334 5562.374466666667 5103.7827 5719.8899375 -1
3237 737.5067409331422 17.689072 10282.177706666667 5558.4546 10282.177706666667 5558.4546 10170.5634 10642.572666666669 9761.812333333331 11206.541 9629.399133333334 5558.4546 9986.9450125 -1
5111 740.5240147265498 22.42113 1438546.016133333 19898.836 1438546.016133333 19898.836 165958.68666666668 8283.301333333335 824975.3593333334 3214584.233333333 2978928.5 19898.836 1349880.567375 2
4771 740.5247683993213 22.00954 408231.1900666666 21952.678 408231.1900666666 21952.678 1832950.1 7406.786999999999 4283.363333333334 0.0 196515.7 21952.678 384088.7830625 2
308 740.6083272064582 1.8511916 5925.88702 5242.773 5925.88702 5242.773 5675.253 6775.275666666667 5199.983366666667 5511.237533333333 6467.685533333334 5242.773 5883.19239375 -1
5689 741.1973024177645 23.697937 1559.9243393333334 4730.907 1559.9243393333334 4730.907 4623.427433333333 3106.010383333333 70.18388 0.0 0.0 4730.907 1758.110755625 -1
4938 741.1981925184185 22.289083 30157.000962666665 172261.66 30157.000962666665 172261.66 147421.93666666668 3201.4664 161.60174666666668 0.0 0.0 172261.66 39038.5421525 -1
5135 741.1983811183975 22.432133 16764.438216 0.0 16764.438216 0.0 82518.86 1141.7293333333334 161.60174666666668 0.0 0.0 0.0 15716.6608275 -1
5768 742.5404107038097 23.636889 166116.98490666665 195941.45 166116.98490666665 195941.45 574077.589 80916.02500000001 3821.1272 31112.173333333336 140658.01 195941.45 167981.013975 2
4509 744.5558897920711 21.245567 467270.6314 0.0 467270.6314 0.0 163205.98666666666 248592.768 1614957.0633333337 188583.93766666664 121013.40133333334 0.0 438066.21693750005 2
4772 744.5558986869673 21.938084 587735.6720666667 66023.055 587735.6720666667 66023.055 105643.65666666666 2298359.618333333 259836.86666666667 168621.50999999998 106216.70866666666 66023.055 555128.6335 2
4564 744.5560647198431 21.383709 655517.2125333335 55826.02 655517.2125333335 55826.02 165954.65 261284.0166666667 2544639.4 186391.27266666663 119316.72333333334 55826.02 618036.513 2
640 746.099219676281 2.6117575 120293.73566666666 5695.0176 120293.73566666666 5695.0176 37495.38166666666 177386.84333333335 166432.06666666668 131714.35666666666 88440.02999999998 5695.0176 113131.3157875 -1
4970 746.1899764123971 22.343542 1215.6272173333334 9277.417 1215.6272173333334 9277.417 6078.136086666666 0.0 0.0 0.0 0.0 9277.417 1719.48907875 -1
989 749.5176575593555 8.767226 24104.025533333337 18797.678 24104.025533333337 18797.678 29395.334000000003 21025.162 24027.929333333333 27004.994 19066.70833333333 18797.678 23772.3788125 -1
4110 756.5534334027518 19.956406 649239.6290066667 287709.5 649239.6290066667 287709.5 1820108.026666667 925765.5533333332 413984.8599999999 9683.125033333334 76656.58 287709.5 626643.99594375 4 4110.0 PC(16:1/18:2); [M+H]+ C42H79N1O8P1
4041 756.5541646076239 19.83697 685676.6202666668 0.0 685676.6202666668 0.0 1309570.7333333334 1152063.6566666665 592656.2923333333 5702.919000000001 368389.5 0.0 642821.8315 4 4041.0 PC(16:1/18:2); [M+H]+ C42H79N1O8P1
327 756.5828875450425 1.8511916 14795.926333333337 13511.335 14795.926333333337 13511.335 14639.918333333337 13986.244 13211.082 15628.194 16514.193333333333 13511.335 14715.639375 -1
3884 758.5724015833106 19.552792 2303126.7466666666 23068264.0 2303126.7466666666 23068264.0 3820849.466666667 2722597.1333333333 2021663.0 1406624.3666666665 1543899.7666666668 23068264.0 3600947.825 4 3884.0 PC(16:1/18:1); [M+H]+ C42H81N1O8P1
4006 758.5725572940016 19.758226 2417275.573333333 2290918.2 2417275.573333333 2290918.2 517592.3333333333 1656097.6 2051077.7666666664 5535906.266666667 2325703.9 2290918.2 2409378.2375 -1 4006.0 PC(16:1/18:1); [M+H]+ C42H81N1O8P1
4020 759.5748216912374 19.741575 1734355.064 10896194.0 1734355.064 10896194.0 367369.27333333326 1588791.5333333334 1178133.7 1138235.5133333334 4399245.3 10896194.0 2306969.9975 10
4569 761.2035505103009 21.549398 34711.532199999994 0.0 34711.532199999994 0.0 0.0 121930.38666666666 9345.468666666666 42281.805666666674 0.0 0.0 32542.0614375 -1
4266 764.5271700598599 20.439138 1858981.6485466664 2772935.5 1858981.6485466664 2772935.5 1210067.9755 0.0 1162733.0005666667 3535738.6 3386368.6666666665 2772935.5 1916103.7642625 2
4338 764.5292148807358 20.759567 284329.4537 0.0 284329.4537 0.0 1155.958566666667 371.2232666666666 1196465.2333333334 223654.85333333336 0.0 0.0 266558.86284375 2
4143 764.538525543239 20.103085 233144.69588666668 0.0 233144.69588666668 0.0 1164212.358466667 401.9227333333333 1109.1982333333333 0.0 0.0 0.0 218573.15239375 2
4587 766.1747816144099 21.575748 1680.61288 0.0 1680.61288 0.0 0.0 7657.456666666666 0.0 745.6077333333333 0.0 0.0 1575.574575 -1
4455 768.5562357016431 21.060703 582140.1699333334 630408.6 582140.1699333334 630408.6 490802.681 2173768.98 90393.53666666668 105220.42333333334 50515.22866666667 630408.6 585156.9468125 2
6346 768.5563297131644 24.405888 329483.79813333333 0.0 329483.79813333333 0.0 247851.0366666667 337562.93333333335 802086.09 203767.38466666665 56151.546 0.0 308891.06075 2
4515 768.5563419168027 21.277443 1375798.209466667 6780592.5 1375798.209466667 6780592.5 4470843.333333333 2335393.833333333 9902.208333333334 11778.523333333333 51073.149000000005 6780592.5 1713597.852625 2
4244 768.5584180809258 20.279732 788832.2566000001 620951.6 788832.2566000001 620951.6 28830.483333333334 1895405.0 1964384.6016666663 0.0 55541.198 620951.6 778339.7155625001 2
195 772.6876575947778 1.7216449 1782.2374779999996 2024.4629 1782.2374779999996 2024.4629 1478.9398900000003 1910.3429333333331 1772.9898333333333 1775.0007333333333 1973.914 2024.4629 1797.376566875 -1
543 772.8961871547097 2.3192205 4761.60428 3599.6833 4761.60428 3599.6833 3438.5454666666665 5069.144133333334 5269.466833333334 5116.6232 4914.241766666667 3599.6833 4688.98421875 -1
196 773.6847886004664 1.6798574 2090.524326666666 2316.3408 2090.524326666666 2316.3408 2082.815 1954.3904333333328 2035.860566666667 2324.213 2055.342633333333 2316.3408 2104.63785625 -1
4936 776.2341081943139 22.296734 879517.2554 5275765.5 879517.2554 5275765.5 4374685.166666667 22901.11033333333 0.0 0.0 0.0 5275765.5 1154282.7706875 11
5108 776.2349356583127 22.461432 431924.41060000006 0.0 431924.41060000006 0.0 2027310.5 63974.17533333334 39388.54333333333 18102.49 10846.344333333334 0.0 404929.1349375 11
6261 776.2357178162025 24.12825 66708.16350133334 128259.8 66708.16350133334 128259.8 332790.0933333333 0.0 591.7944 87.75970000000001 71.17007333333333 128259.8 70555.1407825 11
5817 776.2375138532019 23.726057 39935.00179066667 480915.8 39935.00179066667 480915.8 87453.60166666667 101223.658 6576.632466666666 4256.690333333333 164.42648666666665 480915.8 67496.30167875 -1
291 778.5685492984677 1.8177603 4470.691413333333 5075.247 4470.691413333333 5075.247 4593.097966666667 4281.651266666667 4544.529633333334 4460.015233333333 4474.162966666667 5075.247 4508.4761375 -1
6165 780.5535634453735 24.024239 937581.5463333334 132793.64 937581.5463333334 132793.64 241953.09666666665 467846.79 1116030.0799999998 696925.515 2165152.25 132793.64 887282.3021874999 7 6165.0 PC(18:2/18:3); [M+H]+ C44H79N1O8P1
5772 780.553638479573 23.631435 300144.1953333334 149114.61 300144.1953333334 149114.61 131617.87666666668 255314.00666666665 507614.5 185975.00666666668 420199.5866666666 149114.61 290704.84625 7 5772.0 PC(18:2/18:3); [M+H]+ C44H79N1O8P1
5014 780.5543770424723 22.377792 636884.7430666666 137609.45 636884.7430666666 137609.45 112523.82 216641.94866666672 1214845.066666667 134387.4 1506025.4800000002 137609.45 605680.03725 7 5014.0 PC(18:2/18:3); [M+H]+ C44H79N1O8P1
4989 781.2147184066258 22.366196 137527.74276666666 508507.28 137527.74276666666 508507.28 686144.21 939.3716666666666 0.0 555.1321666666666 0.0 508507.28 160713.96384375 -1
6387 782.5694742341974 24.628792 1659518.0436666666 1456331.8 1659518.0436666666 1456331.8 6020281.266666667 1207199.066666667 481159.97 425711.1666666667 163238.74833333332 1456331.8 1646818.9034375 4 6387.0 PC(18:2/18:2); [M+H]+ C44H81N1O8P1
3866 782.5695357380339 19.36876 1110683.3881333335 0.0 1110683.3881333335 0.0 4779334.3533333335 297655.0833333333 325729.6733333333 37652.25533333333 113045.57533333334 0.0 1041265.676375 4 3866.0 PC(18:2/18:2); [M+H]+ C44H81N1O8P1
3761 782.5695487024349 19.21972 813940.6449999999 0.0 813940.6449999999 0.0 193454.36666666667 704981.4 3025992.483333333 37861.46 107413.515 0.0 763069.3546875 4 3761.0 PC(18:2/18:2); [M+H]+ C44H81N1O8P1
4011 782.5698888970953 19.703197 1942691.9326666668 1582636.6 1942691.9326666668 1582636.6 186466.96666666667 4916362.333333333 3463764.2466666666 1037069.8866666668 109796.23 1582636.6 1920188.474375 4 4011.0 Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14
4106 782.5705227106125 19.970833 1268558.37 0.0 1268558.37 0.0 193028.14666666664 600681.5 38951.87 5510130.333333333 0.0 0.0 1189273.471875 4 4106.0 PC(18:2/18:2); [M+H]+ C44H81N1O8P1
4078 784.5850172780225 19.917599 930171.2733333334 821267.94 930171.2733333334 821267.94 375862.6333333333 268749.0 3293374.0 332597.8 380272.93333333335 821267.94 923364.815 4 4078.0 PC(18:1/18:2); [M+H]+ C44H83N1O8P1
3824 784.5850659911654 19.3955 1052516.054 0.0 1052516.054 0.0 367589.4166666667 2342111.0 0.0 2552879.853333333 0.0 0.0 986733.800625 4 3824.0 PC(18:1/18:2); [M+H]+ C44H83N1O8P1
6406 786.6011005718801 24.651054 873641.1679999998 6430765.0 873641.1679999998 6430765.0 1128901.22 875145.3666666667 632521.7533333333 730297.2333333334 1001340.2666666668 6430765.0 1220961.4075 4 6406.0 PC(18:1/18:1); [M+H]+ C44H85N1O8P1
552 788.8780557354884 2.3192205 23290.584266666665 21015.375 23290.584266666665 21015.375 23499.947 11646.753333333334 23369.443333333333 28292.312666666665 29644.465 21015.375 23148.3836875 -1
6118 792.5567234946118 24.018332 353958.8918666666 1590988.1 353958.8918666666 1590988.1 1557140.0333333332 120713.396 61830.31833333333 20015.43233333333 10095.279333333334 1590988.1 431273.217375 2
5137 797.1630697138895 22.465721 7957.996933333333 0.0 7957.996933333333 0.0 39789.98466666666 0.0 0.0 0.0 0.0 0.0 7460.622125 -1
4937 797.1634232478222 22.265722 11339.846666666668 59445.066 11339.846666666668 59445.066 56699.23333333334 0.0 0.0 0.0 0.0 59445.066 14346.422875 -1
5636 799.1789862392866 23.547998 1894.8491933333328 266.13 1894.8491933333328 266.13 432.32113333333336 5224.489833333333 3817.435 0.0 0.0 266.13 1793.0542437500003 -1
3963 806.5675520776122 19.6103 273015.74780000007 0.0 273015.74780000007 0.0 0.0 21911.36666666667 1310218.9400000002 32948.43233333333 0.0 0.0 255952.2635625 7 3963.0 Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
4047 806.5686866985662 19.911095 1493157.3343333334 0.0 1493157.3343333334 0.0 4911129.666666667 0.0 2431500.7666666666 46477.01833333333 76679.22 0.0 1399835.0009375 4 4047.0 Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
3785 806.5691254888864 19.35146 611433.7875333334 0.0 611433.7875333334 0.0 527425.6333333333 2446417.893333333 0.0 27451.742 55873.669 0.0 573219.1758125 4 3785.0 Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
6407 806.5697826432012 24.604383 339350.55466666666 11803486.0 339350.55466666666 11803486.0 1139183.7 348601.12000000005 126561.70333333332 15482.803333333335 66923.44666666667 11803486.0 1055859.02 4 6407.0 Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
3855 807.5726978715551 19.461668 562882.0224 0.0 562882.0224 0.0 2249447.333333333 290749.264 202513.75333333333 22163.891666666663 49535.869666666666 0.0 527701.896 4
6391 807.5731889977833 24.596058 306293.4734 557947.75 306293.4734 557947.75 1209774.0333333332 225261.76233333332 73075.14 9400.49 13955.941333333334 557947.75 322021.8656875 4
6143 808.5843022488511 24.011707 424831.998 643246.75 424831.998 643246.75 718890.3300000001 552938.6733333333 267476.8933333333 267856.66333333333 316997.43 643246.75 438482.92 7 6143.0 PC(16:0/22:5); [M+H]+ C46H83N1O8P1
5713 808.5844807122016 23.631435 394379.1 621641.1 394379.1 621641.1 671773.3466666667 491088.9766666666 234709.39 241833.5266666667 332490.26 621641.1 408582.975 7 5713.0 PC(18:1/20:4); [M+H]+ C46H83N1O8P1
4980 808.5847620896535 22.377754 349648.0226666667 0.0 349648.0226666667 0.0 624496.2866666666 429097.1566666667 228739.05 245425.21333333332 220482.40666666665 0.0 327795.02125 7 4980.0 PC(18:1/20:4); [M+H]+ C46H83N1O8P1
290 810.8516911279066 1.8344749 3399.318646666667 2621.0098 3399.318646666667 2621.0098 2888.954 3559.2572 3369.8543666666665 3543.8668 3634.6608666666666 2621.0098 3350.67434375 -1
6413 811.6051229881022 24.651054 1014011.5433333332 497891.66 1014011.5433333332 497891.66 322376.93333333335 290729.76 2865657.18 998361.8266666668 592932.0166666667 497891.66 981754.050625 -1
150 814.5118851258296 1.7174658 5207.28406 4763.957 5207.28406 4763.957 4929.008266666667 5155.5354333333335 5023.787266666666 5251.356366666666 5676.732966666667 4763.957 5179.576118749999 -1
5294 815.2131368851329 22.857084 46262.62733333333 269.17444 46262.62733333333 269.17444 66927.58333333333 151957.77866666668 12427.774666666666 0.0 0.0 269.17444 43388.0365275 -1
5156 815.2160154271912 22.540644 16358.7894 5598.8794 16358.7894 5598.8794 0.0 81444.60233333333 273.64393333333334 75.70073333333333 0.0 5598.8794 15686.295025 -1
5586 815.2176498589665 23.418686 19073.62589066667 0.0 19073.62589066667 0.0 0.0 20860.155 73800.48258 707.4918733333334 0.0 0.0 17881.524272500003 -1
2156 816.1072627880649 14.563307 5147.48084 3970.4177 5147.48084 3970.4177 5579.1961 5890.692 5550.498533333334 4972.207166666666 3744.8104 3970.4177 5073.914393749999 -1
1936 816.4260780863978 13.685742 46116.29613333333 58576.133 46116.29613333333 58576.133 52426.532333333336 44280.35666666667 38582.346 44811.22933333333 50481.01633333333 58576.133 46895.0359375 -1
523 816.600975154974 2.3150415 12848.038833333336 19766.41 12848.038833333336 19766.41 14058.425333333333 11684.525333333331 11753.0305 13092.736666666666 13651.476333333334 19766.41 13280.43703125 -1
2167 817.0960688453627 14.563307 7200.337806666667 5808.6636 7200.337806666667 5808.6636 8109.7943 7557.889866666667 7041.0673 7767.2879 5525.649666666667 5808.6636 7113.358168749999 -1
5327 819.2195131646749 22.939335 3522.644274 0.0 3522.644274 0.0 2481.4445 12813.463333333331 2244.777333333333 73.53620333333333 0.0 0.0 3302.479006875 -1
5631 820.2169364326373 23.497623 1762.7235893333332 0.0 1762.7235893333332 0.0 843.6026666666667 1586.9242000000002 6145.707666666666 170.39001333333331 66.9934 0.0 1652.553365 -1
336 826.8330153434699 1.8511916 12439.487833333334 9080.555 12439.487833333334 9080.555 11695.191 12798.796333333332 12876.582333333334 12428.356 12398.5135 9080.555 12229.55453125 -1
259 828.8312835554436 1.7885062 6197.014993333333 5033.295 6197.014993333333 5033.295 5617.714333333333 6462.1753 6516.766 6095.063300000001 6293.3560333333335 5033.295 6124.282493750001 -1
6129 831.5707964881598 24.003353 31928.27746666667 34350.113 31928.27746666667 34350.113 44696.341666666674 31535.67066666667 17209.115999999998 23700.92066666667 42499.33833333333 34350.113 32079.6421875 -1
5732 832.5845423875045 23.62726 289291.70533333335 115299.65 289291.70533333335 115299.65 159438.24166666667 124641.61166666663 227633.48 457452.16 477293.0333333334 115299.65 278417.201875 18 5732.0 PC(20:3/20:4); [M+H]+ C48H83N1O8P1
6125 832.5845742479172 24.028427 864172.3813333333 233336.62 864172.3813333333 233336.62 455084.7766666667 658796.39 1693284.4666666668 1074005.0133333334 439691.26 233336.62 824745.14625 18 6125.0 PC(18:1/22:6); [M+H]+ C48H83N1O8P1
6409 834.6005009740826 24.617626 584916.3864000001 188972.42 584916.3864000001 188972.42 203685.14 2057479.153333333 156447.06866666666 161680.30333333334 345290.26666666666 188972.42 560169.8885 20 6409.0 PC(18:0/22:6); [M+H]+ C48H85N1O8P1
3871 834.6011508861751 19.556934 310358.5743333333 260517.69 310358.5743333333 260517.69 0.0 0.0 1402771.29 26945.541666666668 122076.04 260517.69 307243.5190625 20 3871.0 PC(18:0/22:6); [M+H]+ C48H85N1O8P1
504 838.5804967153241 2.2648969 16327.784933333336 18336.0 16327.784933333336 18336.0 18086.533666666663 14382.808333333334 12484.383666666668 16098.979666666666 20586.21933333333 18336.0 16453.298375 -1
2260 839.0609790251934 14.943582 3795.5663266666666 4129.947 3795.5663266666666 4129.947 4146.3617 4011.620266666667 3888.5600666666655 3772.8925 3158.3971 4129.947 3816.46511875 -1
2270 840.0551597942637 14.94776 4829.37708 5007.7334 4829.37708 5007.7334 5268.3016 4927.206233333333 4837.255099999999 4883.912833333333 4230.209633333333 5007.7334 4840.52435 -1
3877 848.6192833252422 19.465094 70586.26626666666 70600.15 70586.26626666666 70600.15 97740.79333333332 81938.385 56405.35866666667 57716.00766666667 59130.786666666674 70600.15 70587.13399999999 -1
274 848.8097538423079 1.788506 2852.9581266666664 2122.6992 2852.9581266666664 2122.6992 2617.7102 2724.2148666666667 2845.072466666667 3030.122433333333 3047.670666666667 2122.6992 2807.31694375 -1
5309 850.2526561204666 22.931833 1369433.84476 0.0 1369433.84476 0.0 2106922.1123333336 4712550.75 13465.751333333334 6628.473333333332 7602.1368 0.0 1283844.2294625 11
5095 850.2530513227283 22.485603 520423.71446666657 283908.28 520423.71446666657 283908.28 3352.034 2496635.8866666667 21821.809 75069.94366666666 5238.899 283908.28 505641.4998125 11
5619 850.2531117805459 23.521029 498313.5265333333 11743.524 498313.5265333333 11743.524 46607.59 0.0 2285391.766 108700.07333333332 50868.20333333333 11743.524 467902.901375 11
3897 850.6071740682024 19.46927 11646.943066666669 12142.251 11646.943066666669 12142.251 16287.549999999996 10485.199333333332 9709.664 10860.876333333334 10891.425666666664 12142.251 11677.8998125 -1
3879 853.5860989245332 19.473448 11453.63468 16066.8955 11453.63468 16066.8955 11588.362166666666 11745.724 12899.652 11332.208666666666 9702.226566666666 16066.8955 11741.96348125 -1
348 854.5590318738512 1.8679062 24887.988133333336 14031.814 24887.988133333336 14031.814 21776.276 24481.232 23833.33366666667 26406.04566666666 27943.053333333333 14031.814 24209.47725 -1
495 854.5599319530347 2.273254 23839.53473333333 36367.805 23839.53473333333 36367.805 28194.61733333334 19221.586333333336 20592.012333333336 22611.97066666667 28577.487 36367.805 24622.551625 -1
339 856.558078161704 1.863728 16367.228433333334 8334.265 16367.228433333334 8334.265 13481.537166666669 14278.172666666664 18180.70133333333 19463.221 16432.51 8334.265 15865.16821875 -1
6123 856.5820466874171 24.028427 188205.3295666667 63023.297 188205.3295666667 63023.297 62906.293333333335 342580.571 88807.07966666667 129481.54716666669 317251.1566666667 63023.297 180381.45253125 -1
5587 857.2115320003518 23.46588 33905.73982066666 3837.7717 33905.73982066666 3837.7717 15474.781 22313.682 130339.44683333336 1108.01972 292.76955 3837.7717 32026.491813125 -1
5250 859.2039136307097 22.846048 7456.073083333334 213.08826 7456.073083333334 213.08826 4761.118666666666 29055.31333333333 3463.9334166666663 0.0 0.0 213.08826 7003.386531875 -1
5588 861.2025772260789 23.363876 1181.6555866666667 0.0 1181.6555866666667 0.0 636.6235333333333 913.2977333333334 4358.356666666667 0.0 0.0 0.0 1107.8021125 -1
257 864.7875273393757 1.7843269 9208.3494 5809.6855 9208.3494 5809.6855 8467.26 8857.251 8976.493333333332 10072.262333333332 9668.480333333331 5809.6855 8995.93290625 -1
256 866.7859486231026 1.7843269 5354.026926666666 3403.2683 5354.026926666666 3403.2683 5012.259099999999 5696.907333333334 5014.6455 5419.560533333333 5626.762166666667 3403.2683 5232.1045125 -1
138 870.4617130316499 1.725825 5123.235133333333 5088.3965 5123.235133333333 5088.3965 5677.851933333334 4298.704000000001 5034.641666666666 5647.2864 4957.691666666667 5088.3965 5121.05771875 -1
5433 871.1819406235516 23.0598 10520.566933333332 0.0 10520.566933333332 0.0 32428.31333333333 13399.206333333334 6775.315 0.0 0.0 0.0 9863.0315 -1
5589 871.18329492865 23.447945 8481.868498666667 0.0 8481.868498666667 0.0 2440.140883333333 7403.737333333333 32494.486666666668 70.97761 0.0 0.0 7951.751717500001 -1
5259 871.1840260416883 22.846024 21359.096674 207.75015 21359.096674 207.75015 5796.667333333334 95592.01666666666 5406.79937 0.0 0.0 207.75015 20037.13751625 -1
133 872.4596264737927 1.7425387 4461.74178 1819.4836 4461.74178 1819.4836 5134.505099999999 4782.306466666666 4149.394499999999 3633.308466666667 4609.194366666667 1819.4836 4296.60064375 -1
6163 872.5585172061928 24.02425 32614.64585333333 5665.6562 32614.64585333333 5665.6562 22532.760333333328 43244.64083333333 14036.946533333334 22158.851566666664 61100.03 5665.6562 30930.334 -1
240 874.5071002242566 1.8201824 2361.68244 1862.904 2361.68244 1862.904 2891.3084333333336 1616.2689333333335 2436.2839333333336 2388.375066666667 2476.175833333333 1862.904 2330.5087875 -1
329 876.5381938540604 1.8511916 6580.037740000001 5048.914 6580.037740000001 5048.914 5876.402666666666 5544.730766666667 7439.048166666667 8145.522866666666 5894.484233333334 5048.914 6484.342506249999 -1
5541 878.2578464632186 23.438168 400.0600926666667 0.0 400.0600926666667 0.0 69.34149666666666 150.33878 1568.5612 141.72245999999998 70.33652666666667 0.0 375.05633687500006 -1
310 878.57215371586 1.8470126 2930.413806666667 3143.972 2930.413806666667 3143.972 3422.8177666666666 2615.9153 3098.9953333333337 2870.5195 2643.8211333333334 3143.972 2943.76119375 -1
202 888.7619146980185 1.726349 1596.18252 0.0 1596.18252 0.0 1545.3128333333334 1656.8031333333336 1511.2566333333334 1527.7522 1739.7878 0.0 1496.4211125 -1
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349 892.5150768162448 1.8511916 12211.361566666665 11457.812 12211.361566666665 11457.812 10763.891333333331 12180.637666666667 11609.215166666669 12900.422333333334 13602.641333333331 11457.812 12164.26471875 -1
347 894.514081947072 1.8511916 8600.8402 8436.478 8600.8402 8436.478 8294.119466666665 8325.289666666666 7963.4232 9170.853 9250.515666666666 8436.478 8590.5675625 -1
4554 895.5864552333716 21.366488 2031.6136200000003 1519.5778 2031.6136200000003 1519.5778 2230.1666 1814.0342666666663 1321.2133333333331 2312.1849666666667 2480.468933333333 1519.5778 1999.61138125 -1
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386 908.8279377489694 1.9096938 2834.8270666666667 2089.2393 2834.8270666666667 2089.2393 2361.1797333333334 2856.0298000000003 2992.0127666666667 2669.5893 3295.323733333333 2089.2393 2788.22783125 -1
6313 909.5492618525748 24.337658 230029.95000000004 270344.56 230029.95000000004 270344.56 372900.5433333333 282831.53 167339.19333333333 161754.81333333335 165323.67 270344.56 232549.613125 -1
215 910.418410738734 1.6882135 2440.82778 2712.1768 2440.82778 2712.1768 2560.7618 2688.8600666666666 2296.1339000000003 2256.9990666666667 2401.384066666667 2712.1768 2457.78709375 -1
4203 911.6110210157082 20.25071 5990.070433333333 5380.688 5990.070433333333 5380.688 7861.9499 5626.928766666667 4677.1123 5424.348866666667 6360.012333333333 5380.688 5951.98403125 -1
325 914.499858254806 1.8428344 4557.351253333332 4391.596 4557.351253333332 4391.596 4516.188999999999 4307.656833333333 4193.753766666668 4650.290166666667 5118.8665 4391.596 4546.99155 -1
39 922.0111787042688 0.68570954 56540.80673333335 38753.336 56540.80673333335 38753.336 61454.301666666666 37332.886 106287.27233333334 31200.086 46429.48766666666 38753.336 55429.0898125 5
16 922.0113286702976 0.35597274 56352.602733333326 47212.305 56352.602733333326 47212.305 168039.54666666666 9091.684333333333 19076.04033333333 56421.204 29134.53833333333 47212.305 55781.334125 5
50 922.0113429321648 1.0220488 136680.68826666666 49023.152 136680.68826666666 49023.152 156611.28466666667 132792.03833333333 37751.64833333334 65545.57666666666 290702.8933333333 49023.152 131202.09225 5
909 922.0115179247553 5.0220995 44551.51119999999 66577.6 44551.51119999999 66577.6 26324.466 19175.335333333333 24377.430666666667 74771.818 78108.506 66577.6 45928.14175 5
883 922.0115713621236 4.7354083 43150.76653333333 70926.33 43150.76653333333 70926.33 27677.498000000003 38300.482 7976.321666666667 54197.80433333333 87601.72666666667 70926.33 44886.73925 5
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964 922.0120576670996 7.523092 36647.5622 366051.12 36647.5622 366051.12 22352.58333333333 107357.063 8441.935 13667.989666666666 31418.24 366051.12 57235.284562500005 5
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1383 922.0127952040876 11.735646 46812.56539999999 48520.17 46812.56539999999 48520.17 39613.00333333333 138576.78233333334 16362.606333333337 14269.577 25240.858 48520.17 46919.2906875 5
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1184 922.0128277339472 10.977827 38268.189733333325 45244.566 38268.189733333325 45244.566 31607.166666666668 16651.631666666664 112903.62 14394.265666666666 15784.264666666668 45244.566 38704.21325 5
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4775 924.2712873661992 22.025501 393234.07904 6775.252 393234.07904 6775.252 1360369.1706666667 64085.8302 105272.17766666668 114219.81666666668 322223.4 6775.252 369080.40235 11
4534 924.2716108844106 21.381433 192879.47034 4873.287 192879.47034 4873.287 158190.87083333332 6569.612033333334 652953.8688333334 74798.78 71884.22 4873.287 181129.08388125 -1
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4805 998.2902966211238 22.039293 574967.2959200001 4172.2744 574967.2959200001 4172.2744 690636.2838666667 107850.80933333334 28051.996400000004 840524.3823333333 1207773.0076666668 4172.2744 539292.607075 11
6001 999.289737867944 23.899027 106850.9579 7536.607 106850.9579 7536.607 158539.74433333334 14748.3795 193652.44133333332 15004.724333333332 152309.5 7536.607 100643.81096875 -1
nf_output/networking/clustersummary_with_groups.tsv 0000644 0000000 0000000 00000547655 14745575402 022320 0 ustar root root cluster index parent mass RTMean ATTRIBUTE_SampleType:GNPSGROUP:Sample ATTRIBUTE_SampleType:GNPSGROUP:Control ATTRIBUTE_SampleType2:GNPSGROUP:KF1601 ATTRIBUTE_SampleType2:GNPSGROUP:Blank ATTRIBUTE_Time:GNPSGROUP:0min ATTRIBUTE_Time:GNPSGROUP:30min ATTRIBUTE_Time:GNPSGROUP:60min ATTRIBUTE_Time:GNPSGROUP:120min ATTRIBUTE_Time:GNPSGROUP:240min ATTRIBUTE_Time:GNPSGROUP:Final ATTRIBUTE_animal:GNPSGROUP:Human
3523 111.11628207601063 18.52462 1013.491792 0.0 1013.491792 0.0 0.0 263.3831433333333 649.80155 1221.6872666666666 2932.587 0.0 950.148555
2775 117.0818433973486 16.587772 1108.5512306666667 767.5199 1108.5512306666667 767.5199 226.58407333333332 564.1943166666666 722.59793 995.8498 3033.530033333333 767.5199 1087.2367725
366 123.05589477669676 1.8679072 161309.59433333334 47282.688 161309.59433333334 47282.688 39995.99833333334 101351.82666666666 139359.49666666667 213851.31666666668 311989.3333333333 47282.688 154182.9126875
2770 125.12691578279365 16.549911 489.7662573333334 0.0 489.7662573333334 0.0 0.0 332.22823999999997 312.20144 1078.6587200000001 725.7428866666668 0.0 459.15586625
3528 125.1291009625968 18.561293 1167.6489480000002 0.0 1167.6489480000002 0.0 0.0 551.24559 1092.0975166666667 1775.5962 2419.3054333333334 0.0 1094.67088875
3178 129.09246827550035 17.547249 2505.8765599999997 0.0 2505.8765599999997 0.0 0.0 1175.1336000000001 1534.382233333333 4204.019 5615.847966666667 0.0 2349.259275
593 129.13599843692063 2.461319 3832.958846666667 4916.7456 3832.958846666667 4916.7456 5831.765833333332 2832.8732999999997 2633.4892999999997 4219.568766666666 3647.097033333333 4916.7456 3900.69551875
4632 133.01420374884896 21.674957 600.78546 4332.1123 600.78546 4332.1123 3003.9273 0.0 0.0 0.0 0.0 4332.1123 833.9933874999999
4376 133.01442153145166 20.90775 28.218813333333333 5308.3203 28.218813333333333 5308.3203 141.09406666666666 0.0 0.0 0.0 0.0 5308.3203 358.22515625
1442 134.0966415832923 12.014197 6673.447213333334 6707.929 6673.447213333334 6707.929 6397.557133333333 6258.595233333333 7201.590533333333 6988.390666666666 6521.1025 6707.929 6675.602325
2597 135.08313966139065 16.025902 7367.388473333334 9768.04 7367.388473333334 9768.04 8463.395233333333 6382.4859 7569.734333333334 7092.163533333333 7329.163366666668 9768.04 7517.42919375
3155 143.10314763939903 17.49722 3148.6907340000002 0.0 3148.6907340000002 0.0 68.50105333333333 1845.3699833333333 2778.3637 3482.3042666666665 7568.914666666667 0.0 2951.897563125
598 146.16483049981858 2.490572 8085.438313333334 10111.245 8085.438313333334 10111.245 14362.109666666665 5982.739099999999 6580.3160333333335 7328.364866666667 6173.6619 10111.245 8212.05123125
2803 147.11015052302824 16.60563 1346.6880706666666 0.0 1346.6880706666666 0.0 0.0 654.0769866666666 1390.0990333333332 2088.357933333333 2600.9064 0.0 1262.5200662500001
4023 149.0249920359779 19.770136 46565.8922 41644.508 46565.8922 41644.508 48494.651333333335 45494.70733333333 40924.585666666666 44631.14333333333 53284.37333333333 41644.508 46258.3056875
5488 149.02918606105146 23.246988 26966.0344 26194.959 26966.0344 26194.959 27763.924 26213.456666666665 25200.285333333333 27092.685666666668 28559.820333333337 26194.959 26917.8421875
1089 149.06493908228268 10.154612 4575.729893333334 3744.6016 4575.729893333334 3744.6016 3753.6451666666667 4722.045566666667 6037.569100000001 3933.3155666666667 4432.074066666667 3744.6016 4523.784375
2621 149.1276564821996 16.034777 4600.220573333334 0.0 4600.220573333334 0.0 621.2950666666667 2618.0608333333334 4520.113266666667 4556.3717 10685.261999999999 0.0 4312.706787499999
3194 149.1289690736291 17.57349 5476.003687333334 0.0 5476.003687333334 0.0 231.04740333333334 3582.172766666667 4722.9724 8251.727866666666 10592.098 0.0 5133.753456875
4629 151.0360558409511 21.609833 139.86976 919.55884 139.86976 919.55884 699.3488000000001 0.0 0.0 0.0 0.0 919.55884 188.60032750000002
1349 155.1067887225471 11.550353 6456.679455333333 1891.8751 6456.679455333333 1891.8751 3267.9637333333335 6873.6411333333335 1851.6995433333334 5848.707866666667 14441.385 1891.8751 6171.379183125
4277 155.10716051009226 20.45549 2075.0810733333333 1672.2681 2075.0810733333333 1672.2681 2677.6984333333335 2189.8011666666666 1313.0475 1850.9003 2343.9579666666664 1672.2681 2049.9052625
82 156.88575594007233 1.5712062 2206.2656333333334 3185.9692 2206.2656333333334 3185.9692 2241.6999333333333 3303.364566666667 1646.4584666666667 1989.0740000000003 1850.7312000000002 3185.9692 2267.49710625
2059 158.1542087163084 14.178847 53728.59813333334 57907.81 53728.59813333334 57907.81 54596.833333333336 55242.916666666664 55276.54 52314.961 51211.73966666666 57907.81 53989.798875
1065 163.1316715569262 9.799412 13747.334666666666 15454.592 13747.334666666666 15454.592 15680.254 14579.079666666667 13932.224666666667 12603.057 11942.057999999999 15454.592 13854.03825
3171 163.1442668659458 17.527788 2970.7666466666665 0.0 2970.7666466666665 0.0 0.0 932.0984666666667 1982.2718000000002 5706.055 6233.407966666667 0.0 2785.09373125
1374 165.08077146729292 11.759289 2389.1002933333334 3514.8877 2389.1002933333334 3514.8877 2915.2306666666664 2640.6724666666664 2496.5961333333335 2180.3312 1712.671 3514.8877 2459.4620062500003
1376 166.08271900905945 11.75511 2364.7377933333332 2905.2349 2364.7377933333332 2905.2349 2499.8839666666668 2270.7842 2325.7734333333333 2651.9517666666666 2075.2956 2905.2349 2398.5188625
1090 166.08848378543678 10.1587925 4422.147826666667 3457.2478 4422.147826666667 3457.2478 4355.6673666666675 4260.5589666666665 4699.43 4803.090833333334 3991.9919666666665 3457.2478 4361.8415749999995
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4617 167.05580852184957 21.708668 380.0336346666666 7741.427 380.0336346666666 7741.427 1829.6695 70.49867333333333 0.0 0.0 0.0 7741.427 840.12072
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2815 173.1292094587433 16.622343 3284.4191459999997 0.0 3284.4191459999997 0.0 0.0 805.3189966666667 1339.2645666666667 6243.822999999999 8033.689166666666 0.0 3079.142949375
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2804 175.13068102489618 16.6112 2253.4679226666663 0.0 2253.4679226666663 0.0 0.0 851.2565466666668 1562.0949666666668 2969.7548 5884.2333 0.0 2112.6261775000003
711 178.95079530753333 2.9418867 44868.9684 119553.39 44868.9684 119553.39 95468.895 26090.37 25581.908333333336 25845.541666666668 51358.127 119553.39 49536.74475
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824 181.0722093574165 3.9911833 0.0 10531.105 0.0 10531.105 0.0 0.0 0.0 0.0 0.0 10531.105 658.1940625
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3535 185.1484303238828 18.52786 1828.5127666666665 0.0 1828.5127666666665 0.0 0.0 897.2617333333334 1837.763866666667 2637.6950333333334 3769.8431999999993 0.0 1714.2307187499998
1102 186.22176977122083 10.275808 3589.160406666667 3914.3037 3589.160406666667 3914.3037 3855.7739333333334 3696.0278333333335 3812.6974999999998 3390.3721 3190.930666666667 3914.3037 3609.4818625
871 188.0707355829665 4.4253836 2658.1514533333334 2073.9136 2658.1514533333334 2073.9136 2196.0077 2887.8745999999996 2595.4009 2841.937433333333 2769.536633333333 2073.9136 2621.6365875
4633 191.00146980127343 21.674957 967.7699766666667 6711.516 967.7699766666667 6711.516 4838.849883333333 0.0 0.0 0.0 0.0 6711.516 1326.754103125
4378 191.0016673199569 20.941166 132.63111333333333 13108.404 132.63111333333333 13108.404 663.1555666666667 0.0 0.0 0.0 0.0 13108.404 943.61691875
1391 191.0982204938317 11.842866 1791.2640933333334 1968.299 1791.2640933333334 1968.299 1673.1136999999999 1666.9034333333336 2001.6202999999998 1905.9680333333336 1708.7150000000001 1968.299 1802.328775
1399 193.1243031327914 11.847045 2924.445586666667 5782.0684 2924.445586666667 5782.0684 3462.1987000000004 2752.7065666666663 2274.286 2523.6811666666667 3609.3555 5782.0684 3103.0470125
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815 193.92981963197693 3.8654242 131489.27546666667 178445.75 131489.27546666667 178445.75 165325.42666666667 111490.75466666666 111949.917 155119.4566666667 113560.82233333332 178445.75 134424.055125
1589 195.13306195944332 12.402829 21430.74266666667 24121.307 21430.74266666667 24121.307 13937.187333333335 18906.98433333333 20326.707 23225.653333333335 30757.18133333333 24121.307 21598.9029375
701 195.9744473599191 2.9586012 22429.131246666664 34075.473 22429.131246666664 34075.473 22525.3169 31488.77733333333 19701.940666666665 11642.409 26787.212333333333 34075.473 23157.027606249998
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96 198.8763326774948 1.6631416 3598.5657466666667 4545.5396 3598.5657466666667 4545.5396 4205.603966666667 3314.5591 3563.7160666666664 3811.8757 3097.0739 4545.5396 3657.7516125
3210 199.1669808479712 17.579409 6565.782406666667 212.53297 6565.782406666667 212.53297 0.0 4249.044 6526.165033333334 9335.897333333332 12717.805666666667 212.53297 6168.704316875001
658 200.9330071656925 2.6911554 6546.704840000001 1361.3035 6546.704840000001 1361.3035 4840.8355 7047.4483 9610.918 6808.0351 4426.2873 1361.3035 6222.61725625
742 200.9332461677692 3.1842752 1884.7393666666665 10617.235 1884.7393666666665 10617.235 1520.7653333333335 1794.3091666666667 1660.5196999999998 2234.9146333333333 2213.188 10617.235 2430.52034375
1375 201.0468522504396 11.75511 16544.621466666667 20507.48 16544.621466666667 20507.48 17738.939333333332 17559.910333333337 17425.385666666665 15699.185666666666 14299.686333333333 20507.48 16792.300125
2839 201.153894050881 16.622343 1645.0094820000002 0.0 1645.0094820000002 0.0 0.0 459.3883666666666 1073.09321 2599.7996 4092.7662333333337 0.0 1542.196389375
539 203.0524676312272 2.3334286 920.6748540000001 0.0 920.6748540000001 0.0 164.64735 446.93245333333334 946.0704 1376.4597333333334 1669.2643333333333 0.0 863.1326756249999
870 205.0965956769796 4.425383 1938.2326266666664 1623.7825 1938.2326266666664 1623.7825 1702.8810666666668 2036.1432666666667 1830.0346 2095.607933333333 2026.4962666666668 1623.7825 1918.5794937500002
4379 207.032504312444 20.957691 1369.1267546666668 113907.016 1369.1267546666668 113907.016 2376.6259999999997 1765.1921666666667 345.547 1019.3912733333333 1338.8773333333331 113907.016 8402.7448325
5123 207.03259673146127 22.484722 10224.141793333332 0.0 10224.141793333332 0.0 38901.763 5946.149666666667 2099.7003666666665 2210.4594666666667 1962.6364666666668 0.0 9585.13293125
4674 207.03268219391464 21.753723 10314.298898666668 24204.502 10314.298898666668 24204.502 45415.06666666666 2858.5272666666665 851.1497433333333 993.1350000000001 1453.6158166666664 24204.502 11182.4365925
1103 207.1536014937611 10.275807 5375.449966666667 4927.7866 5375.449966666667 4927.7866 5616.4540333333325 5388.260666666666 5144.0822333333335 5935.448666666667 4793.004233333333 4927.7866 5347.47100625
4618 208.03369821334425 21.641834 738.6482933333333 8745.147 738.6482933333333 8745.147 3453.1971 240.04436666666666 0.0 0.0 0.0 8745.147 1239.0544625
4913 209.0254544151384 22.221582 1239.42321 2726.787 1239.42321 2726.787 5895.1489 301.96715 0.0 0.0 0.0 2726.787 1332.3834468750001
2813 209.15537993122703 16.610949 5942.285146666667 2276.889 5942.285146666667 2276.889 2493.5696333333335 5787.964333333333 6290.736666666667 7740.610333333333 7398.544766666666 2276.889 5713.1978874999995
844 210.9451975085236 4.111972 40664.72254 7520.081 40664.72254 7520.081 24793.4472 24462.71383333334 22494.336333333336 66313.026 65260.08933333334 7520.081 38593.18244375
1400 211.13314551572523 11.847047 5438.9921 3424.8672 5438.9921 3424.8672 7421.630933333333 3134.278333333333 6667.492666666666 6611.716433333334 3359.842133333333 3424.8672 5313.10929375
109 212.8512758103964 1.7132876 421804.40400000004 447298.88 421804.40400000004 447298.88 415717.5533333333 406829.87333333335 418304.16 429758.45333333337 438411.98 447298.88 423397.80874999997
1590 213.14645589083565 12.407008 6961.288673333333 10790.553 6961.288673333333 10790.553 4281.4188 7178.587666666666 7779.0115000000005 7108.077166666667 8459.348233333332 10790.553 7200.61769375
104 214.85035753364755 1.7091085 93231.58106666667 104470.51 93231.58106666667 104470.51 95230.98966666666 92371.23833333333 91154.38799999999 95219.84466666666 92181.44466666668 104470.51 93934.014125
102 216.8489927902806 1.7049294 7386.138346666666 7576.8413 7386.138346666666 7576.8413 7009.2985 7994.4411666666665 6962.553 7433.998500000001 7530.400566666666 7576.8413 7398.0572812499995
819 219.02834020708275 3.9243166 0.0 3441.2688 0.0 3441.2688 0.0 0.0 0.0 0.0 0.0 3441.2688 215.0793
3265 219.204437318857 17.718323 20022.75356 3188.0166 20022.75356 3188.0166 3868.6248 16252.185 23600.365999999998 32312.201 24080.391 3188.0166 18970.5825
3161 219.21012401269732 17.547249 13123.935973333333 0.0 13123.935973333333 0.0 0.0 6716.9312 11417.872000000001 15300.269666666667 32184.607 0.0 12303.689975000001
4923 221.08684610019296 22.230465 1627.1677113333333 3629.7073 1627.1677113333333 3629.7073 4682.251066666667 1457.1279233333335 0.0 577.2683000000001 1419.1912666666667 3629.7073 1752.3264356250002
5821 221.08685550620547 23.759544 5033.527531333334 0.0 5033.527531333334 0.0 1077.8916666666667 1171.5939866666665 3628.1812166666664 1021.6238866666666 18268.3469 0.0 4718.932060625
5160 221.08689733492017 22.56781 1471.1608373333333 2363.817 1471.1608373333333 2363.817 4214.141766666667 918.1486666666666 155.65513333333334 474.81768000000005 1593.04094 2363.817 1526.9518475
4691 221.08706267918112 21.775917 3328.56586 29339.436 3328.56586 29339.436 5230.774266666666 6778.287666666667 0.0 3818.8013333333333 814.9660333333333 29339.436 4954.24524375
2812 221.1535387778061 16.622343 2850.1867099999995 0.0 2850.1867099999995 0.0 0.0 1118.2520833333333 2647.3693666666663 5878.567633333333 4606.744466666667 0.0 2672.050040625
4942 223.06475916951987 22.341717 16537.621129333333 34025.637 16537.621129333333 34025.637 63456.70199999999 9800.921333333334 1538.3489466666667 2826.9087 5065.224666666666 34025.637 17630.62212125
4634 223.0649048460532 21.742561 24960.274273333325 124692.89 24960.274273333325 124692.89 106484.56933333333 6633.236033333334 2672.1418 4435.9785999999995 4575.4456 124692.89 31193.56275625
4380 223.06517252989045 20.947613 2749.004586666667 437262.94 2749.004586666667 437262.94 3228.6824666666666 4123.168133333334 967.4162333333334 1993.4890333333333 3432.267066666667 437262.94 29906.125549999997
5322 225.05796727804469 22.951195 2912.23847 0.0 2912.23847 0.0 2311.762166666667 9348.350733333333 909.5600666666666 1032.3114666666668 959.2079166666666 0.0 2730.223565625
4619 225.05889935476108 21.690895 1860.4285126666662 21339.719 1860.4285126666662 21339.719 7849.359099999999 838.4745766666668 0.0 484.1679766666666 130.14091 21339.719 3077.8841681249996
3525 225.18268725761743 18.53343 1297.5318533333334 0.0 1297.5318533333334 0.0 0.0 448.45098 985.5851200000001 1875.2869 3178.3362666666667 0.0 1216.4361125
1253 226.1783755473439 11.211869 4660.166486666667 4047.6526 4660.166486666667 4047.6526 3975.277 6061.301666666666 3352.5869 4720.123666666667 5191.5432 4047.6526 4621.884368749999
2856 227.1963420140421 16.665272 12547.477266666665 11527.494 12547.477266666665 11527.494 12276.492666666667 11901.028 12443.382 13471.106666666667 12645.377 11527.494 12483.7283125
1958 228.1944813897574 13.740068 6974.394893333333 1699.0884 6974.394893333333 1699.0884 2304.270666666667 10440.002333333332 1955.8618 7005.928666666667 13165.911 1699.0884 6644.6882375000005
1746 231.14860216032423 12.900126 19375.604666666666 25918.07 19375.604666666666 25918.07 20150.654333333336 19168.535 16540.430333333334 20554.932666666664 20463.471 25918.07 19784.50875
1397 233.13621753086213 11.830329 6516.017966666667 8744.569 6516.017966666667 8744.569 8062.536633333333 7128.193766666666 6436.728999999999 5709.299133333334 5243.3313 8744.569 6655.302406250001
1585 235.13593530483828 12.384322 1041.1377006666667 3244.8706 1041.1377006666667 3244.8706 1552.2387833333335 1241.2451 1256.4329666666665 774.6136133333333 381.15803999999997 3244.8706 1178.8710068750001
959 235.18040028359803 7.2419524 9210.092086666667 12102.585 9210.092086666667 12102.585 11520.602333333334 9446.250766666666 8290.425466666667 9064.265333333335 7728.916533333333 12102.585 9390.872893749998
2759 235.20482592701765 16.544333 25581.911066666664 0.0 25581.911066666664 0.0 0.0 15891.546999999999 27341.65233333333 38073.772666666664 46602.583333333336 0.0 23983.041624999998
140 236.9933205913476 1.7007511 1997.1164066666672 1580.994 1997.1164066666672 1580.994 2498.5149666666666 1753.9291666666668 1504.4893999999997 1919.4904666666669 2309.1580333333336 1580.994 1971.1087562500002
3174 237.2216026489567 17.524971 70958.92879999998 0.0 70958.92879999998 0.0 0.0 42899.62899999999 70745.27966666665 103048.02666666667 138101.70866666667 0.0 66523.99575
1038 242.13145324588103 9.540323 6890.614106666665 8083.947 6890.614106666665 8083.947 8456.483666666667 6821.732533333333 6835.615866666667 6721.8134666666665 5617.425 8083.947 6965.1974125
3552 245.22592991129923 18.550138 3768.7452866666663 0.0 3768.7452866666663 0.0 0.0 1638.6824 3817.8595333333337 5734.289433333334 7652.895066666667 0.0 3533.19870625
1962 250.17642348849296 13.739184 1983.8489479999998 247.40598 1983.8489479999998 247.40598 639.4742333333332 3346.9522666666667 518.9813 1891.8462733333333 3521.9906666666666 247.40598 1875.3212624999999
147 250.80816437769388 1.7174658 4487.727093333334 4585.095 4487.727093333334 4585.095 4312.1186333333335 4361.784733333333 4466.784333333333 4926.129000000001 4371.818766666666 4585.095 4493.8125875000005
622 250.8802631965276 2.5783238 60953.39853333334 57180.645 60953.39853333334 57180.645 73274.59666666666 52971.19666666666 55512.233 60236.44633333333 62772.52 57180.645 60717.6014375
1006 251.18200606034893 9.080644 3277.641166666667 2498.9883 3277.641166666667 2498.9883 3741.513033333333 2792.187066666667 2536.8995333333332 3407.0157999999997 3910.5903999999996 2498.9883 3228.9753625000003
1444 253.10378093616967 12.014197 17560.44373333333 19716.297 17560.44373333333 19716.297 19665.319333333333 17553.872333333333 17282.952333333335 17620.281666666666 15679.793 19716.297 17695.1845625
1114 253.112628475476 10.325954 15839.001600000001 22345.193 15839.001600000001 22345.193 19453.502 16201.688666666669 17028.385333333335 14313.857666666669 12197.574333333332 22345.193 16245.6385625
3377 253.2146883222439 18.144571 17908.274406666667 1766.3696 17908.274406666667 1766.3696 2191.3068000000003 11339.045233333332 17585.365 21012.291666666668 37413.363333333335 1766.3696 16899.40535625
2015 253.215252586242 14.025867 23525.218666666664 0.0 23525.218666666664 0.0 0.0 12824.168666666666 24113.56866666667 29160.91966666667 51527.43633333334 0.0 22054.8925
2313 253.21544036007944 15.1123705 22567.126466666665 0.0 22567.126466666665 0.0 0.0 12724.805666666667 23438.196666666667 33012.914333333334 43659.71566666666 0.0 21156.6810625
1758 254.2164442930644 12.931143 764.2910333333333 0.0 764.2910333333333 0.0 0.0 0.0 186.01933333333332 1340.3269666666665 2295.108866666667 0.0 716.52284375
2318 254.21903501705933 15.129088 3468.6348199999998 0.0 3468.6348199999998 0.0 0.0 1816.3487999999998 2922.6028666666666 5370.123566666666 7234.098866666667 0.0 3251.84514375
418 254.86264529887285 2.047599 8156.800886666667 5295.212 8156.800886666667 5295.212 9648.065666666667 8859.316333333334 8122.495666666667 7372.314766666667 6781.812000000001 5295.212 7977.951581249999
3176 255.23232174520584 17.53054 229411.16159999996 0.0 229411.16159999996 0.0 0.0 138235.13466666665 230872.11666666667 334899.6766666667 443048.87999999995 0.0 215072.96399999998
597 256.86286000216 2.4780357 2486.1259199999995 2493.778 2486.1259199999995 2493.778 2577.2315 2128.9983 2023.4871333333333 3166.4168666666665 2534.4958 2493.778 2486.604175
629 258.10992724520395 2.5908604 46005.183333333334 38511.418 46005.183333333334 38511.418 34092.06533333334 46275.383 47320.62333333333 50719.76966666667 51618.075333333334 38511.418 45536.823000000004
978 258.2149533227718 8.265769 2944.6874466666663 3182.3555 2944.6874466666663 3182.3555 2780.164666666667 2687.757666666667 2828.0633666666668 3117.876333333333 3309.5751999999998 3182.3555 2959.5416999999998
3911 259.1894269364115 19.502697 4385.3166200000005 4047.6423 4385.3166200000005 4047.6423 4663.872833333334 4178.4741 3603.0408666666667 4482.913466666666 4998.281833333333 4047.6423 4364.211975
1249 261.21730670152186 11.204854 2335.580476 0.0 2335.580476 0.0 0.0 0.0 1246.9736133333333 3561.970633333333 6868.9581333333335 0.0 2189.60669625
3154 261.21991041265795 17.49154 10398.918486666666 0.0 10398.918486666666 0.0 0.0 6214.137433333334 10475.818666666666 15359.790666666668 19944.845666666664 0.0 9748.986081250001
1394 264.17571052408687 11.826152 67943.3446 89484.445 67943.3446 89484.445 85398.172 71750.78266666667 69357.84999999999 59474.24733333334 53735.671 89484.445 69289.663375
4675 265.0206295599642 21.748768 1006.9036286666667 2923.9292 1006.9036286666667 2923.9292 4964.986766666667 69.53137666666667 0.0 0.0 0.0 2923.9292 1126.717726875
5067 265.0210935126978 22.38875 1301.921052 1581.5016 1301.921052 1581.5016 6288.631366666667 220.9738933333333 0.0 0.0 0.0 1581.5016 1319.39483625
4425 265.0213054857486 20.941166 93.47710666666667 9667.348 93.47710666666667 9667.348 467.38553333333334 0.0 0.0 0.0 0.0 9667.348 691.8440375
3982 265.25200169750303 19.686806 5589.563893333333 0.0 5589.563893333333 0.0 0.0 3002.8596999999995 4631.9537666666665 8058.258666666666 12254.747333333333 0.0 5240.21615
1957 266.16048910866584 13.723356 2046.174964 1451.3208 2046.174964 1451.3208 997.1532333333334 3038.6488000000004 1110.7105333333332 1533.8100533333334 3550.5522 1451.3208 2008.99657875
1204 266.6179715488328 11.073671 46282.994953333335 0.0 46282.994953333335 0.0 6446.575433333334 33813.509 45859.99600000001 65864.66766666666 79430.22666666667 0.0 43390.307768750004
4383 267.0004075405388 20.94015 1043.2316666666668 49357.04 1043.2316666666668 49357.04 3686.2952 566.7161333333333 0.0 415.93905333333333 547.2079466666667 49357.04 4062.8446875
4635 267.00088853388485 21.708736 5081.880664666667 24333.143 5081.880664666667 24333.143 21152.895733333335 1914.2302666666667 361.5484666666667 982.8776000000001 997.8512566666667 24333.143 6285.0845606249995
2952 269.2104686628059 16.96197 13791.479386666666 2697.5388 13791.479386666666 2697.5388 2749.8204666666666 9284.9688 11974.264333333333 19088.827666666668 25859.515666666663 2697.5388 13098.1081
3667 270.31590381116115 18.85078 123201.28006666669 53393.656 123201.28006666669 53393.656 54974.013666666666 94570.52666666666 126355.43333333335 149513.36333333334 190593.06333333332 53393.656 118838.30356249999
2855 271.1633433365877 16.643637 486.58968 1614.5764 486.58968 1614.5764 2432.9483999999998 0.0 0.0 0.0 0.0 1614.5764 557.08885
2017 271.22195357044006 14.031438 9157.073133333331 0.0 9157.073133333331 0.0 0.0 2525.3515666666667 7298.505433333333 14433.188666666667 21528.32 0.0 8584.7560625
1761 271.222850945135 12.950519 5461.165469333334 0.0 5461.165469333334 0.0 0.0 737.4516466666668 3518.514966666667 9289.274233333332 13760.5865 0.0 5119.8426275
2321 271.22415233115987 15.145804 6981.571220000001 0.0 6981.571220000001 0.0 0.0 2560.7083333333335 5153.530933333333 12305.851499999999 14887.765333333335 0.0 6545.22301875
2191 272.2578384209061 14.688677 10766.511366666668 13401.634 10766.511366666668 13401.634 9087.779233333333 9844.270333333334 9495.642266666668 10563.349 14841.516000000001 13401.634 10931.20653125
3179 272.26794365571743 17.545778 3422.5412813333332 245.59268 3422.5412813333332 245.59268 154.46014 1976.3748666666668 3352.5329 4942.0115 6687.327 245.59268 3223.9819937499997
1007 273.1666960723923 9.080645 2954.6122999999993 3255.743 2954.6122999999993 3255.743 2631.850733333333 2717.657633333333 3384.6734666666666 3061.4342999999994 2977.445366666667 3255.743 2973.4329687500003
784 273.8977141724214 3.6355906 52172.497599999995 62160.902 52172.497599999995 62160.902 70305.728 42598.16466666667 46120.098 40967.289 60871.208333333336 62160.902 52796.772874999995
1139 274.6150636579342 10.615951 5745.673379999998 0.0 5745.673379999998 0.0 0.0 1986.3578 4099.205266666667 9435.477833333332 13207.326000000001 0.0 5386.568793750001
955 276.1595801241691 7.1165895 30095.45586666667 35168.848 30095.45586666667 35168.848 35197.471 30335.644 29505.283666666666 30295.660666666667 25143.22 35168.848 30412.542875
2052 277.21430419129746 14.1489 17711.17406666667 354.31696 17711.17406666667 354.31696 0.0 13175.493333333332 28770.689000000002 18113.385333333335 28496.302666666666 354.31696 16626.3704975
2362 277.2143313440152 15.208482 11934.002118000002 0.0 11934.002118000002 0.0 69.30875666666667 11369.719166666668 15691.380666666666 13370.194666666664 19169.407333333333 0.0 11188.126985625
5501 279.1612292287641 23.263697 5241.146640000001 5565.9473 5241.146640000001 5565.9473 6398.2733 4556.6793333333335 3469.4083666666666 5496.488733333333 6284.883466666666 5565.9473 5261.4466812499995
4012 279.16152306415535 19.745075 11377.743833333334 9635.118 11377.743833333334 9635.118 13312.479666666666 10363.025 8970.709166666667 11630.430999999999 12612.074333333332 9635.118 11268.82971875
995 279.2198994356596 8.892593 5717.6607933333335 8874.536 5717.6607933333335 8874.536 7984.003766666666 6123.0817 5780.283666666667 4935.9129 3765.0219333333334 8874.536 5914.96549375
2628 279.2297172870693 16.06769 240214.49377333332 4109.7734 240214.49377333332 4109.7734 1379.8722 123033.19333333334 215040.68333333335 355433.6666666667 506185.0533333333 4109.7734 225457.94874999998
1236 279.23150676424035 11.18427 22225.711886666664 0.0 22225.711886666664 0.0 0.0 5056.4071 14826.489666666666 33821.439666666665 57424.223 0.0 20836.60489375
5126 281.0516654662769 22.519886 29345.075880000004 32658.328 29345.075880000004 32658.328 105900.93333333335 18203.049 6522.277866666666 7671.149 8427.9702 32658.328 29552.1541375
3902 281.17023096354745 19.502697 2540.941366666667 1864.7079 2540.941366666667 1864.7079 2849.256833333333 2147.814966666667 2366.2840333333334 2472.2161333333333 2869.1348666666668 1864.7079 2498.676775
3070 281.2478577571912 17.292095 77698.69501333333 2052.2766 77698.69501333333 2052.2766 3176.6057333333333 49388.064000000006 74853.85466666667 115516.42066666666 145558.53 2052.2766 72970.7938625
2566 282.2797751367917 15.904712 77814.80120000002 92945.8 77814.80120000002 92945.8 90587.158 76880.79333333333 72140.77833333334 82968.153 66497.12333333334 92945.8 78760.488625
577 283.020781285313 2.3915615 855.3953093333332 2933.0825 855.3953093333332 2933.0825 2057.9378666666667 1270.7221766666664 643.85883 304.45767333333333 0.0 2933.0825 985.25075875
5360 283.04947606179405 22.974562 4545.577137333333 0.0 4545.577137333333 0.0 3127.667833333333 15968.119866666666 327.87153333333333 1364.7201533333334 1939.5063 0.0 4261.47856625
2560 283.2819921924898 15.892175 16549.060166666666 19235.8 16549.060166666666 19235.8 18132.96233333333 16338.374666666665 16159.294999999998 17456.581666666665 14658.087166666666 19235.8 16716.98140625
1377 287.1326483485082 11.759289 11884.097733333334 13717.544 11884.097733333334 13717.544 13819.946333333333 12453.277666666667 11614.381666666668 11315.447 10217.436000000002 13717.544 11998.688125
2963 287.21442568414733 16.978687 6608.1430266666675 1919.3751 6608.1430266666675 1919.3751 7929.3332 4795.823333333333 5704.291700000001 6956.5709 7654.696 1919.3751 6315.09503125
2055 288.2895832459898 14.15795 23408.599 32651.89 23408.599 32651.89 30765.932 24172.146999999997 22462.053666666663 22930.081666666665 16712.780666666666 32651.89 23986.3046875
2113 288.29040450471564 14.433759 28384.526066666665 37697.152 28384.526066666665 37697.152 36979.08666666667 29493.625 26228.881333333335 26356.461 22864.576333333334 37697.152 28966.5651875
1378 289.1322816036005 11.763468 4155.222066666667 4942.3643 4155.222066666667 4942.3643 4868.334866666667 4176.1286 4105.992266666667 4173.807233333334 3451.847366666667 4942.3643 4204.4184562499995
2315 289.22886703028763 15.140228 1895.7737113333335 0.0 1895.7737113333335 0.0 0.0 898.6552233333332 1435.9285333333335 2749.5192 4394.7656 0.0 1777.287854375
1963 290.2673735346795 13.719175 4014.5919333333336 14185.889 4014.5919333333336 14185.889 12090.300799999999 3156.878666666667 2439.911866666667 1372.9279666666669 1012.9403666666667 14185.889 4650.298000000001
759 290.91174946573096 3.4475446 6153.824046666666 16825.783 6153.824046666666 16825.783 2911.548566666667 7062.893800000001 7562.852466666666 2099.1734333333334 11132.651966666666 16825.783 6820.821481249999
952 291.1644104500775 7.0664415 8026.497760000001 10488.301 8026.497760000001 10488.301 9860.627999999999 8177.2285 7289.692533333332 7703.879066666667 7101.060699999999 10488.301 8180.3604625
421 292.81971123323984 2.051778 58981.822799999994 56930.13 58981.822799999994 56930.13 61093.88266666667 58535.46166666667 57035.23 60759.51966666667 57485.02 56930.13 58853.592000000004
3376 293.2058764705667 18.14456 2879.7586899999997 1393.1877 2879.7586899999997 1393.1877 933.3961499999999 3229.3175333333334 3527.734 2592.3565333333336 4115.989233333333 1393.1877 2786.848003125
2184 294.2359134599305 14.688677 2068.2938 2539.7705 2068.2938 2539.7705 1474.2944333333332 1763.5096999999998 1663.903 2246.093066666667 3193.6688 2539.7705 2097.7610937500003
525 294.840356733108 2.2690759 12288.9075 6868.2505 12288.9075 6868.2505 10884.020333333334 10473.952833333333 14098.188666666667 11217.619133333334 14770.756533333333 6868.2505 11950.1164375
76 294.8420556516162 1.5377749 4825.363780000001 5165.382 4825.363780000001 5165.382 4772.121966666667 4873.050666666667 4953.7439 4753.807233333333 4774.095133333333 5165.382 4846.61491875
372 294.84226999197006 1.8971584 11088.988846666667 22368.996 11088.988846666667 22368.996 6830.224433333334 13536.146133333334 9928.5138 14403.315433333331 10746.744433333333 22368.996 11793.98929375
2048 295.22326558385066 14.149594 23266.703949999996 722.035 23266.703949999996 722.035 773.4404166666667 19524.583 22376.105 26164.004 47495.387333333325 722.035 21857.662140625
1365 295.2237258120875 11.713321 19671.62425466666 916.8447 19671.62425466666 916.8447 439.9019733333333 3329.5479333333333 7016.285366666666 17059.933666666664 70512.45233333333 916.8447 18499.4505325
2357 295.224078658735 15.215213 19732.049006666664 1281.8815 19732.049006666664 1281.8815 806.8172 11073.717833333334 20612.928 30024.427666666666 36142.35433333333 1281.8815 18578.913537499997
1182 295.22533180728794 10.92797 11708.286506666667 0.0 11708.286506666667 0.0 0.0 2104.1386333333335 5983.9159 26883.635 23569.743000000002 0.0 10976.5186
462 296.0669725037811 2.143709 104127.42933333333 58400.11 104127.42933333333 58400.11 90070.96166666667 97766.86333333334 105953.61166666668 110539.77166666667 116305.93833333334 58400.11 101269.471875
148 296.06724012182246 1.7174658 90153.06366666665 161549.12 90153.06366666665 161549.12 104716.18000000001 75963.61333333333 83007.36 88631.96333333333 98446.20166666666 161549.12 94615.31718750001
1071 296.1238716544299 9.866272 7966.042886666666 12214.655 7966.042886666666 12214.655 11109.184333333333 8646.549333333334 7937.916 6936.541899999999 5200.022866666666 12214.655 8231.58114375
172 296.8179063494859 1.7174658 7874.915233333333 9670.949 7874.915233333333 9670.949 8154.914 7969.631333333334 8036.792000000001 7239.950366666667 7973.288466666668 9670.949 7987.167343749999
4677 297.0834946451761 21.765707 21522.171046666666 52556.363 21522.171046666666 52556.363 96231.542 4796.6107999999995 1742.7957666666669 2009.1248333333333 2830.781833333333 52556.363 23461.80804375
4385 297.0840614452947 20.962597 1473.4570866666666 327472.84 1473.4570866666666 327472.84 0.0 2303.109343333333 744.8568566666667 1931.4715000000003 2387.8477333333335 327472.84 21848.418518749997
2625 297.24118427891807 16.06351 231534.60656666665 924.25287 231534.60656666665 924.25287 1686.7111666666667 121317.39833333332 211589.67 329711.39666666667 493367.8566666667 924.25287 217121.45946062502
1534 297.24195043632574 12.24847 10355.389713333334 0.0 10355.389713333334 0.0 0.0 3104.0842 8175.6027 17361.641333333333 23135.620333333336 0.0 9708.17785625
1256 297.2425196074027 11.223277 39094.706913333335 0.0 39094.706913333335 0.0 0.0 8855.2339 27403.49266666667 60391.98466666666 98822.82333333332 0.0 36651.28773125
575 298.9935463671246 2.3860855 54653.946599999996 105771.26 54653.946599999996 105771.26 99625.81666666667 69181.74333333333 53536.147 36826.43866666666 14099.587333333335 105771.26 57848.778687499995
3082 299.2568937651422 17.296385 31209.91403133333 0.0 31209.91403133333 0.0 122.91015666666668 20583.65133333333 27933.013666666666 48170.494999999995 59239.5 0.0 29259.294404374996
1408 299.62930893837387 11.886308 18956.442733333333 0.0 18956.442733333333 0.0 0.0 14026.712333333335 21092.014 27391.381000000005 32272.106333333333 0.0 17771.6650625
3950 300.284535140409 19.616867 567.7558626666666 0.0 567.7558626666666 0.0 0.0 250.4912866666667 364.7506433333333 819.7956166666667 1403.7417666666668 0.0 532.27112125
2567 300.2900616460152 15.904712 194403.20600000003 227913.66 194403.20600000003 227913.66 219005.3566666667 193304.72666666665 188323.2333333333 198897.10333333336 172485.61 227913.66 196497.609375
5404 301.0629969971236 23.046833 0.0 1674.6499 0.0 1674.6499 0.0 0.0 0.0 0.0 0.0 1674.6499 104.66561875
4427 301.0728741770507 21.008083 41.963166666666666 2316.0627 41.963166666666666 2316.0627 209.81583333333333 0.0 0.0 0.0 0.0 2316.0627 184.09438749999998
4009 301.15252907209174 19.757605 2722.5405266666667 1707.7218 2722.5405266666667 1707.7218 2646.3009333333334 2691.8000666666667 2541.3490333333334 2637.3128333333334 3095.9397666666664 1707.7218 2659.11435625
1943 301.2169242767802 13.685988 39010.19251333332 0.0 39010.19251333332 0.0 0.0 3894.130466666667 26142.982433333334 65566.83633333333 99447.01333333332 0.0 36572.05548125
1454 303.1458088581388 12.014197 25475.833733333333 22140.41 25475.833733333333 22140.41 23414.755 26840.216 29190.366333333335 28992.148333333334 18941.683 22140.41 25267.36975
2964 303.22926844406135 16.990084 19921.759466666666 0.0 19921.759466666666 0.0 0.0 11792.219000000003 21148.337666666666 29995.052666666666 36673.187999999995 0.0 18676.6495
2836 303.2297701449099 16.627811 73604.024444 880.9768 73604.024444 880.9768 258.52988666666664 43688.324 73086.875 107914.04666666668 143072.34666666665 880.9768 69058.83396625
2955 304.2363068613409 16.967218 5103.249626666667 0.0 5103.249626666667 0.0 74.70253333333334 3408.3397 5035.384666666667 7521.3579 9476.463333333333 0.0 4784.296525
1032 305.2294125948957 9.423698 652.0524746666666 0.0 652.0524746666666 0.0 0.0 0.0 143.38129 1166.9659666666666 1949.9151166666663 0.0 611.2991949999999
1500 305.62911307413964 12.148179 69787.42093333333 0.0 69787.42093333333 0.0 0.0 50789.99433333333 73876.96333333333 102734.52033333333 121535.62666666666 0.0 65425.707125
2022 306.25475366019214 14.033948 598.5227113333334 0.0 598.5227113333334 0.0 0.0 145.61122666666665 273.08619 703.9796066666667 1869.9365333333335 0.0 561.1150418750001
1646 306.6389766015317 12.553269 2378031.066666667 3465.9263 2378031.066666667 3465.9263 2518126.966666667 2564261.3333333335 2463444.4 2272392.7666666666 2071929.8666666665 3465.9263 2229620.74539375
6414 309.2742798671992 24.659416 6258.493786666665 7669.799 6258.493786666665 7669.799 6338.2804 4994.732499999999 5416.063333333333 7098.9662 7444.4265000000005 7669.799 6346.7003625
1543 310.142889345754 12.277462 73381.68446666667 111031.67 73381.68446666667 111031.67 105147.01333333335 84419.65499999998 66839.65533333334 62933.37899999999 47568.719666666664 111031.67 75734.8085625
2190 310.2194587979594 14.688677 1957.7273999999998 2941.0864 1957.7273999999998 2941.0864 1900.6623666666667 1447.4394999999997 1673.5711 2291.0617333333334 2475.9023 2941.0864 2019.1873374999998
86 310.829304382023 1.583743 15515.870799999999 15551.552 15515.870799999999 15551.552 14594.412666666665 15566.179666666665 15858.826 15398.105333333333 16161.830333333333 15551.552 15518.100875
330 310.8294263455677 1.8511916 62194.55806666667 79220.34 62194.55806666667 79220.34 61577.87766666666 61990.926666666666 61229.78400000001 62787.27566666666 63386.92633333334 79220.34 63258.66943749999
1151 311.157860604362 10.681161 17131.2714 23063.896 17131.2714 23063.896 23008.32933333333 18427.087 18109.417666666664 14354.784 11756.739 23063.896 17502.0604375
2314 311.2165838942971 15.103441 11943.002788666667 316.82294 11943.002788666667 316.82294 306.4854433333333 8716.0445 12097.886333333334 19156.263333333332 19438.334333333332 316.82294 11216.366548125
2016 311.2177297602989 14.029673 19116.360930666666 0.0 19116.360930666666 0.0 213.83298666666664 11243.236666666666 20759.693 27041.216 36323.826 0.0 17921.5883725
6393 311.30697996920617 24.65525 2312.8225279999997 5977.089 2312.8225279999997 5977.089 8368.703333333333 545.1408700000001 787.8633966666666 934.8577866666666 927.5472533333333 5977.089 2541.8391825
2303 312.2275312120888 15.11794 1649.9485866666666 0.0 1649.9485866666666 0.0 0.0 759.6115666666666 1613.7903999999999 2828.1710999999996 3048.1698666666666 0.0 1546.8267999999998
1368 313.2342034158639 11.724728 6090.320739999999 0.0 6090.320739999999 0.0 0.0 1246.7780333333333 2858.3986666666665 11107.895666666669 15238.531333333332 0.0 5709.6756937499995
1146 313.2361655593115 10.660526 15189.975573333337 0.0 15189.975573333337 0.0 0.0 1455.3265333333336 8303.521333333332 23505.89333333333 42685.136666666665 0.0 14240.6021
4200 313.2727630425021 20.183825 2337.7790600000003 2738.8274 2337.7790600000003 2738.8274 3263.0970666666667 2367.7726 1543.8619666666666 2622.2662 1891.8974666666666 2738.8274 2362.84458125
1547 313.6268424189183 12.308367 6170.844033333333 0.0 6170.844033333333 0.0 1391.8240333333333 3458.3538000000003 3780.6686000000004 10931.8291 11291.544633333333 0.0 5785.16628125
1501 314.633361670484 12.152781 358001.38615133334 0.0 358001.38615133334 0.0 153.23409 279499.81666666665 385221.1666666667 525751.2666666667 599381.4466666667 0.0 335626.299516875
1063 314.6341819952408 9.740886 3613.278006666667 0.0 3613.278006666667 0.0 1559.9362333333336 2896.455033333333 3636.5948000000003 4710.1022 5263.301766666667 0.0 3387.44813125
1285 314.63426546455474 11.474002 9548.520773333332 0.0 9548.520773333332 0.0 0.0 8201.656533333335 10916.623666666666 13385.523000000001 15238.800666666668 0.0 8951.738225000001
581 314.9853404702581 2.3944426 8560.989696666666 421.99326 8560.989696666666 421.99326 1074.8875500000001 6815.1201 8626.086000000001 11336.718833333332 14952.135999999999 421.99326 8052.302419375001
4637 315.0941904430984 21.676666 2572.3929999999996 33133.754 2572.3929999999996 33133.754 12861.964999999998 0.0 0.0 0.0 0.0 33133.754 4482.4780625
1257 315.25218281997337 11.2288475 26407.71554 0.0 26407.71554 0.0 0.0 7665.549366666666 19929.373333333333 40081.138333333336 64362.51666666666 0.0 24757.233318749997
1224 315.6420088850452 11.14053 8356.07774 0.0 8356.07774 0.0 7996.434233333333 8940.312 8128.7791333333325 8401.382466666668 8313.480866666667 0.0 7833.82288125
1231 316.1457224465399 11.144987 3718.1170400000015 0.0 3718.1170400000015 0.0 3438.8909 3934.6085666666663 3897.1890000000003 3906.8245 3413.072233333333 0.0 3485.7347250000003
3094 316.2974111641779 17.296272 2977.6346800000006 1087.0542 2977.6346800000006 1087.0542 1018.5691333333334 2413.5987666666665 3357.8469999999998 4167.626766666667 3930.5317333333332 1087.0542 2859.4734
3234 317.2058570450454 17.643116 2714.48826 721.54486 2714.48826 721.54486 1363.0848999999998 2845.859633333333 3191.0983 3488.8191666666667 2683.5793 721.54486 2589.9292975
2219 317.20766371488514 14.808419 2653.138758666667 232.93872 2653.138758666667 232.93872 128.74379333333334 1140.7543333333333 2448.8186666666666 2802.518866666667 6744.858133333332 232.93872 2501.8762562499996
3078 317.26768311897973 17.296515 5812.602379999999 0.0 5812.602379999999 0.0 0.0 3372.051633333334 5236.390466666667 10060.914666666666 10393.655133333334 0.0 5449.3147312500005
3363 319.22472168142 18.094416 6310.99126 4220.079 6310.99126 4220.079 3666.1509666666666 4245.919233333334 5484.343333333334 7022.031433333334 11136.511333333334 4220.079 6180.30924375
1286 319.2260974342297 11.540863 7749.473513333334 0.0 7749.473513333334 0.0 0.0 1630.6319666666666 4138.2101 9665.519833333334 23313.005666666668 0.0 7265.13141875
3939 319.29602946104046 19.570944 446.8956666666666 0.0 446.8956666666666 0.0 0.0 0.0 316.0278666666667 660.5509000000001 1257.8995666666667 0.0 418.96468749999997
1450 320.17137513192694 12.014197 300171.8573333333 227827.34 300171.8573333333 227827.34 277603.33 296185.24666666664 312512.19999999995 323338.7066666667 291219.8033333333 227827.34 295650.32499999995
544 320.9786232962873 2.3288083 2076.4184173333333 3437.2983 2076.4184173333333 3437.2983 4675.596833333334 2955.8207 1717.3556 964.6389533333335 68.67999999999999 3437.2983 2161.4734100000005
3562 321.23159414847044 18.540316 3482.1861799999997 0.0 3482.1861799999997 0.0 0.0 449.2417666666667 2364.295833333333 6072.0285 8525.364800000001 0.0 3264.54954375
2966 321.2394281991845 16.990084 24050.493466666667 0.0 24050.493466666667 0.0 0.0 16642.731333333333 24894.679666666667 35061.09299999999 43653.96333333333 0.0 22547.337625
2837 321.24067996425737 16.627914 88031.96106666668 0.0 88031.96106666668 0.0 0.0 52821.481999999996 87081.00666666667 129948.69666666666 170308.62 0.0 82529.9635
5902 321.3121880767537 23.815298 1682.2633766666665 0.0 1682.2633766666665 0.0 333.56053333333335 511.18765 933.0911333333333 2665.9546333333337 3967.5229333333336 0.0 1577.121915625
1453 325.1283556651573 12.014196 66009.7432 54700.355 66009.7432 54700.355 62543.956000000006 72894.88900000001 79361.91133333334 61465.331 53782.628666666664 54700.355 65302.906437499994
1163 325.1709941837559 10.819061 32872.03886666667 42329.81 32872.03886666667 42329.81 39114.46966666667 32853.33866666667 30997.131666666668 32087.89466666667 29307.359666666667 42329.81 33463.149562499995
2235 325.20880276633164 14.822941 32853.12372 0.0 32853.12372 0.0 0.0 817.4645 9486.6971 68053.30166666667 85908.15533333334 0.0 30799.803487499998
2018 327.1994794429069 14.046897 4157.845744666667 313.59357 4157.845744666667 313.59357 335.54188999999997 5779.7037666666665 6086.967166666666 5031.887 3555.1288999999997 313.59357 3917.5799837500003
1045 327.2028911185531 9.580912 1527.6165133333334 0.0 1527.6165133333334 0.0 0.0 69.92367666666667 950.4947566666666 4027.8235666666665 2589.8405666666667 0.0 1432.14048125
2760 327.22941622671385 16.547663 29126.821625333334 864.72906 29126.821625333334 864.72906 560.6571266666667 17212.944333333333 27987.149999999998 42280.65 57592.706666666665 864.72906 27360.44084
3923 327.33740266755154 19.557032 97455.9872 81352.25 97455.9872 81352.25 100564.015 105178.75866666668 99004.67533333333 104135.985 78396.502 81352.25 96449.503625
1044 329.1868764138133 9.569575 30378.82846666667 42795.297 30378.82846666667 42795.297 42752.241 32478.330999999995 29409.763666666666 26113.637999999995 21140.168666666665 42795.297 31154.857750000003
3532 329.2460783133882 18.544569 11045.279219999999 0.0 11045.279219999999 0.0 0.0 6359.482766666667 10482.554000000002 16353.548666666667 22030.810666666668 0.0 10354.94926875
6394 329.3231818446501 24.663605 1978.3045840000002 5530.085 1978.3045840000002 5530.085 7722.146333333333 373.6285533333334 304.5748066666667 705.40631 785.7669166666668 5530.085 2200.29086
1579 329.6131920944507 12.387767 7894.5194599999995 0.0 7894.5194599999995 0.0 0.0 8325.130266666667 10803.3498 11258.620666666668 9085.496566666667 0.0 7401.111993749999
1277 330.1554880692754 11.412373 1494.1296386666668 6027.88 1494.1296386666668 6027.88 4821.475033333333 1978.35045 517.6886466666666 153.13406333333333 0.0 6027.88 1777.48903625
1469 331.2431850215754 12.064606 4402.167573333333 0.0 4402.167573333333 0.0 0.0 968.8692 2419.5129666666667 7765.8027 10856.653 0.0 4127.032099999999
1370 331.244929524524 11.747014 12337.105906666668 0.0 12337.105906666668 0.0 0.0 1717.7303 7069.5062333333335 19750.001 33148.292 0.0 11566.036787500001
1144 331.2464683595826 10.63824 53065.16258 0.0 53065.16258 0.0 0.0 10558.802233333334 34682.17533333334 82053.86533333334 138030.97 0.0 49748.58991875
84 332.80733620052115 1.537777 8337.237593333333 7281.461 8337.237593333333 7281.461 6876.391199999999 9313.606666666667 7790.1096 9043.6795 8662.401 7281.461 8271.25155625
1530 333.26301608428474 12.220611 19626.743666666665 0.0 19626.743666666665 0.0 0.0 4585.126 13436.903333333334 29741.656666666666 50370.032333333336 0.0 18400.0721875
1254 333.26386581726405 11.217704 69078.90193333333 0.0 69078.90193333333 0.0 0.0 18209.752666666667 48835.72033333334 103354.69333333331 174994.34333333335 0.0 64761.4705625
3083 334.2944410617752 17.296515 3081.7887666666666 0.0 3081.7887666666666 0.0 0.0 1655.6358666666667 3179.2226666666666 4865.743866666667 5708.341433333332 0.0 2889.17696875
1171 335.10121712000097 10.877565 7122.416660000001 2789.3762 7122.416660000001 2789.3762 2455.5276666666664 8876.822999999999 9728.715 8132.591533333333 6418.426100000001 2789.3762 6851.60163125
2360 335.2168615278258 15.227749 22189.72737333333 865.0554 22189.72737333333 865.0554 1177.3635333333334 13548.043333333333 19699.36433333333 34576.373 41947.492666666665 865.0554 20856.935375
2058 335.2177038234832 14.16631 42365.29608 4021.8413 42365.29608 4021.8413 2806.7757333333334 24514.025333333335 41383.95566666667 63588.12666666667 79533.59700000001 4021.8413 39968.83015625
3925 336.3245306363266 19.56943 15001.65778 0.0 15001.65778 0.0 2699.843533333333 4571.0344 10367.395733333333 21508.477466666667 35861.53776666667 0.0 14064.05416875
554 336.9499291383665 2.3192205 46502.96346666666 37149.4 46502.96346666666 37149.4 73532.15833333334 62740.988000000005 49016.06333333333 33581.77933333333 13643.828333333333 37149.4 45918.36575
89 336.9502890391325 1.5419542 45090.27099999999 81593.28 45090.27099999999 81593.28 88751.18333333335 54792.217333333334 40172.58033333334 28579.944333333333 13155.429666666669 81593.28 47371.7090625
1959 337.23828381551743 13.7400675 6399.4806333333345 1552.6144 6399.4806333333345 1552.6144 1307.2103666666667 2936.5103999999997 5291.376333333334 9422.0614 13040.244666666667 1552.6144 6096.55149375
2630 337.2406327014033 16.066114 169995.4771066667 1609.224 169995.4771066667 1609.224 391.14886666666666 87365.27666666666 161823.69333333333 235600.55999999997 364796.7066666667 1609.224 159471.3362875
1026 338.18216979869135 9.377347 4193.36714 4728.7554 4193.36714 4728.7554 5184.035766666667 4484.145533333333 4413.1385 3981.0018 2904.5141000000003 4728.7554 4226.82890625
5890 338.3421845802497 23.790241 238492.55373333336 43662.582 238492.55373333336 43662.582 69915.348 96618.53000000001 166023.95599999998 352604.5833333333 507300.35133333335 43662.582 226315.68050000002
557 338.94907789126125 2.3192205 4965.207263333333 6060.628 4965.207263333333 6060.628 6905.153166666667 6922.664566666666 4753.576333333333 5241.7559 1002.8863500000001 6060.628 5033.671059375
2838 339.2562185035865 16.614258 85930.94156266665 0.0 85930.94156266665 0.0 1915.52148 52054.136666666665 82239.05333333334 125616.70966666668 167829.28666666665 0.0 80560.257715
3081 339.25761315007657 17.296131 19238.31431333333 0.0 19238.31431333333 0.0 1286.5199 11755.233 18670.660666666667 28696.072333333334 35783.085666666666 0.0 18035.91966875
2970 339.2577645216504 17.015368 30928.273733333328 945.0989 30928.273733333328 945.0989 1535.024666666667 19975.176333333333 31580.592666666664 45294.32866666667 56256.246333333336 945.0989 29054.32530625
4638 341.0186955661964 21.675596 6100.85868 30567.11 6100.85868 30567.11 24803.031799999997 2386.6141666666667 620.3579666666666 1336.2568333333334 1358.0326333333335 30567.11 7629.9993875
5127 341.01914313971463 22.507313 6247.595373333333 3957.8142 6247.595373333333 3957.8142 20785.67346666667 4390.169133333334 1915.2116666666664 2042.4478666666666 2104.474733333333 3957.8142 6104.48405
1449 341.10185881051416 12.014197 47078.81826666666 31835.262 47078.81826666666 31835.262 48638.19933333333 50179.156333333325 42760.082 48894.5 44922.15366666667 31835.262 46126.096000000005
1318 341.1023859124829 11.58378 11187.779199999999 9580.735 11187.779199999999 9580.735 11358.546 11982.123333333331 11298.499666666665 10496.555333333332 10803.171666666667 9580.735 11087.3389375
1030 343.1446827258784 9.380747 870.2261746666666 1347.8088 870.2261746666666 1347.8088 1019.8705666666668 1370.8359666666668 1310.6262333333332 535.7681733333334 114.02993333333335 1347.8088 900.0750887500001
1838 343.2256723899385 13.27994 16557.367662 214.25629 16557.367662 214.25629 71.93901 2502.8563 15162.888666666668 27681.183333333334 37367.971 214.25629 15535.92320125
1557 343.2259211895014 12.315335 16487.971013333332 0.0 16487.971013333332 0.0 0.0 2810.0532666666663 10358.688799999998 26287.63433333333 42983.47866666667 0.0 15457.472825
1996 343.2934926886606 13.88633 21869.924066666666 23359.834 21869.924066666666 23359.834 19123.781000000003 20254.576333333334 22269.138000000003 28115.921000000002 19586.203999999998 23359.834 21963.043437499997
1889 345.2372361712975 13.510018 3244.069550666666 0.0 3244.069550666666 0.0 0.0 623.17972 1347.4651666666666 5719.865866666667 8529.837 0.0 3041.31520375
2761 345.2408202252003 16.556622 45523.7815 1161.8706 45523.7815 1161.8706 788.6341666666667 26187.74233333333 43877.693999999996 66179.56366666667 90585.27333333333 1161.8706 42751.162068749996
1348 349.18951702316133 11.65615 707.3223773333333 220.98122 707.3223773333333 220.98122 69.13237 535.0554233333334 510.3584166666667 910.9019433333333 1511.1637333333335 220.98122 676.926055
100 352.7718134868797 1.6714978 2985.2608266666666 4582.4565 2985.2608266666666 4582.4565 3494.1093 2862.663666666667 3195.9460333333336 3616.9364333333338 1756.6486999999997 4582.4565 3085.08555625
2643 353.2117122132057 16.09266 12722.823325333335 417.908 12722.823325333335 417.908 184.06886 4793.191766666667 7323.960333333333 15027.096333333335 36285.799333333336 417.908 11953.7661175
1840 353.22921277138374 13.297114 5462.73844 2290.9111 5462.73844 2290.9111 3614.4013666666665 3554.5540333333333 4874.6116 6713.102533333334 8557.022666666666 2290.9111 5264.49923125
1475 353.229871502236 12.085238 9239.082486666668 2846.4983 9239.082486666668 2846.4983 2240.7621 4955.143333333333 7946.766666666666 12428.910666666665 18623.82966666667 2846.4983 8839.545975
1360 353.23018984385925 11.69795 41505.15372000001 2841.74 41505.15372000001 2841.74 3076.9672666666665 29327.244666666666 31744.137 59495.166333333334 83882.25333333334 2841.74 39088.6903625
1141 353.2305642300568 10.615951 58845.84656666667 0.0 58845.84656666667 0.0 0.0 12144.064166666669 48182.840000000004 96395.73866666667 137506.59 0.0 55167.981156249996
4387 355.07063659176646 20.995901 4918.220946666667 376502.9 4918.220946666667 376502.9 4110.393666666667 4364.887033333333 3869.9074 4131.8261 8114.090533333333 376502.9 28142.2633875
3087 355.23974891040416 17.292055 2045.6283626666668 668.38324 2045.6283626666668 668.38324 513.4669466666667 1889.3630999999998 2028.3212333333333 2820.1391666666664 2976.851366666667 668.38324 1959.5505425000001
1858 355.2443295486213 13.384944 10791.833349333336 0.0 10791.833349333336 0.0 225.72288 2100.4495333333334 9556.653333333334 14666.69 27409.650999999998 0.0 10117.343765
1531 355.24675517308424 12.215039 30423.929899999996 0.0 30423.929899999996 0.0 0.0 11078.067833333333 24905.929000000004 48331.439333333336 67804.21333333333 0.0 28522.434281249996
1268 355.24685538276435 11.329137 99971.83133333335 0.0 99971.83133333335 0.0 0.0 33424.53566666667 80783.679 155746.83866666668 229904.10333333336 0.0 93723.59187500001
2822 356.2740107357526 16.62762 1258.646027333333 0.0 1258.646027333333 0.0 71.60319 795.84708 1384.8068666666668 1551.1140666666668 2489.8589333333334 0.0 1179.9806506250002
2975 356.275688184103 17.00018 2385.7529173333332 429.2018 2385.7529173333332 429.2018 146.65322 1552.1367 2463.712233333333 2927.8163999999997 4838.446033333333 429.2018 2263.4684724999997
4680 359.06189875433256 21.681934 894.3085953333333 2457.3533 894.3085953333333 2457.3533 4400.456543333333 71.08643333333333 0.0 0.0 0.0 2457.3533 991.998889375
4388 359.0641412322734 20.907333 0.0 11158.907 0.0 11158.907 0.0 0.0 0.0 0.0 0.0 11158.907 697.4316875
1946 359.2197890686824 13.685988 11153.704459999999 0.0 11153.704459999999 0.0 0.0 2341.0289333333335 5349.2097 25236.553333333333 22841.73033333333 0.0 10456.59793125
2445 359.2212790801896 15.578765 6546.015204666667 842.7081 6546.015204666667 842.7081 624.38779 7787.251933333333 5299.565966666666 8805.808333333334 10213.062 842.7081 6189.558510625
5874 360.3218423503697 23.816875 504.802882 0.0 504.802882 0.0 0.0 0.0 325.9728666666667 643.59921 1554.4423333333334 0.0 473.252701875
1582 361.23843661557447 12.338823 11016.328475999999 0.0 11016.328475999999 0.0 141.84578 3114.534733333334 6384.366866666666 16804.910666666667 28635.98433333333 0.0 10327.807946249999
1848 361.2480479205881 13.334726 19740.650429999998 843.3396 19740.650429999998 843.3396 683.2534833333333 3122.7100000000005 19500.695000000003 29349.674333333332 46046.919333333324 843.3396 18559.568503125
2777 363.2579668725024 16.5608 66009.23270666666 1429.0356 66009.23270666666 1429.0356 1837.9982 37477.663 64052.765666666666 96062.53666666667 130615.2 1429.0356 61972.9703875
799 365.0449841039283 3.7333553 17033.728704666668 0.0 17033.728704666668 0.0 1145.4155233333333 12871.067000000001 13193.172333333334 51871.40266666666 6087.586 0.0 15969.120660624998
1482 365.1050696608211 12.135384 2155.9984293333337 908.9185 2155.9984293333337 908.9185 1144.68868 2769.5264 2451.6242 2527.0921 1887.0607666666667 908.9185 2078.05593375
566 365.1063883272626 2.3275793 49462.783333333326 64859.41 49462.783333333326 64859.41 59811.329999999994 49215.59766666667 48128.42833333334 44308.38566666667 45850.174999999996 64859.41 50425.072499999995
3012 365.26659055313786 17.09106 9218.452232000001 304.59656 9218.452232000001 304.59656 75.47919333333333 4036.1583333333333 10100.757800000001 13749.3975 18130.468333333334 304.59656 8661.3362525
1995 365.27554232865776 13.88633 8431.735113333332 9480.34 8431.735113333332 9480.34 7128.397633333333 8215.541 9332.926666666666 10422.953666666666 7058.8566 9480.34 8497.27291875
1903 366.2494289826757 13.552024 4460.23436 6059.6675 4460.23436 6059.6675 4799.783666666667 4812.8025333333335 5047.206666666667 3942.007133333333 3699.3717999999994 6059.6675 4560.198931249999
1998 366.2663312822152 13.882151 2574.8569533333334 3155.2888 2574.8569533333334 3155.2888 2207.0313666666666 2896.8571333333334 2256.512166666667 2871.9181000000003 2641.966 3155.2888 2611.13394375
1308 367.2652551422504 11.546171 7195.624673333334 8481.111 7195.624673333334 8481.111 7166.4456666666665 7147.0053333333335 7270.563666666666 6910.4569 7483.6518 8481.111 7275.967568749999
151 368.7323072244038 1.7174658 6397.702746666667 7076.5405 6397.702746666667 7076.5405 6554.860466666668 6209.084666666667 6402.105633333334 6313.552433333333 6508.910533333333 7076.5405 6440.13010625
1853 369.19735567127935 13.324591 2173.817196666667 1818.318 2173.817196666667 1818.318 1498.3143833333334 1193.7644666666667 2592.800366666667 2557.3169 3026.889866666667 1818.318 2151.598496875
1468 369.2006063866853 12.059 3842.234352 395.91846 3842.234352 395.91846 491.8533933333333 953.0414333333332 2945.921833333334 6502.269433333332 8318.085666666666 395.91846 3626.83960875
1362 369.2052808586899 11.724367 23915.34795666666 483.9226 23915.34795666666 483.9226 447.52645 22710.058 22260.08566666667 32502.410666666663 41656.659 483.9226 22450.883871875
1143 369.2062646020051 10.627094 34225.55369333333 0.0 34225.55369333333 0.0 0.0 4277.054966666667 26020.455166666667 59843.667333333324 80986.591 0.0 32086.456587499997
152 370.7636951679722 1.7174658 11158.678466666668 11410.399 11158.678466666668 11410.399 10874.903666666667 10786.653333333334 11173.841166666667 11425.652166666667 11532.341999999999 11410.399 11174.411
4639 371.1020655757157 21.743097 92789.72513333334 430177.53 92789.72513333334 430177.53 363046.6333333333 20731.099 18837.906333333332 31026.615999999998 30306.371000000003 430177.53 113876.46293750001
4389 371.1021017073791 20.973513 15651.420333333333 1450690.9 15651.420333333333 1450690.9 11587.643333333333 17202.604666666666 12342.712000000001 13717.185666666666 23406.956000000002 1450690.9 105341.38781249999
5129 371.10213774331714 22.56714 96328.65653333331 0.0 96328.65653333331 0.0 301532.73333333334 81534.31333333334 15182.343 42835.399333333335 40558.49366666667 0.0 90308.1155
5332 371.10230613065096 22.971188 181535.90333333335 44983.516 181535.90333333335 44983.516 81734.71500000001 603528.98 49298.670333333335 57298.56133333334 115818.59000000001 44983.516 173001.37912500004
1899 371.2044198399529 13.535308 2628.682733333333 2125.2197 2628.682733333333 2125.2197 2723.286666666667 2377.7182333333335 2602.7990666666665 2516.116066666667 2923.493633333333 2125.2197 2597.2162937499997
1532 371.2176752916678 12.2304735 9203.109373333335 250.48178 9203.109373333335 250.48178 0.0 3471.763666666667 8030.539866666667 15285.707666666663 19227.535666666667 250.48178 8643.57014875
1258 371.2188928294675 11.237566 39666.09849866666 0.0 39666.09849866666 0.0 71.02782666666667 14834.829333333333 35512.22866666666 64634.05333333334 83278.35333333333 0.0 37186.9673425
1067 372.1639777057495 9.811948 2909.4747139999995 7184.739 2909.4747139999995 7184.739 6872.420166666667 3302.5283 2372.1496666666667 1546.5298666666665 453.74557 7184.739 3176.6787318750003
3331 372.3500888089352 17.998302 21155.791133333336 20378.078 21155.791133333336 20378.078 52906.272 10185.006833333333 13821.474500000002 13389.108666666667 15477.093666666668 20378.078 21107.1840625
153 372.7624607803064 1.7174658 3226.0507933333333 3602.3413 3226.0507933333333 3602.3413 3444.736833333334 3057.2352666666666 3254.0105000000003 3147.5011 3226.7702666666664 3602.3413 3249.56895
1411 373.2052887425693 11.913905 28505.68993333333 101252.74 28505.68993333333 101252.74 94015.97333333333 14313.205333333332 12893.926666666666 11339.097333333333 9966.247000000001 101252.74 33052.3805625
906 373.5540568561815 4.864379 36321.268233333336 2761.9487 36321.268233333336 2761.9487 4519.024833333333 12240.827666666666 76860.92266666667 75868.96533333333 12116.600666666667 2761.9487 34223.8107625
2439 375.1931187334785 15.57041 3763.8170200000004 975.3174 3763.8170200000004 975.3174 1187.1523333333334 3709.5577333333335 3034.6247666666663 6461.370166666667 4426.3801 975.3174 3589.5357937500003
1952 375.1945793131955 13.685743 4871.736 1411.7257 4871.736 1411.7257 1284.2254333333333 2801.3025 4104.076833333333 7098.9359 9070.139333333333 1411.7257 4655.48535625
1424 375.2166687746059 11.964047 64464.178133333335 21727.904 64464.178133333335 21727.904 23207.59766666667 60302.736666666664 67818.018 78951.965 92040.57333333332 21727.904 61793.16099999999
1203 375.2172500213353 11.069791 12361.018879999998 38545.402 12361.018879999998 38545.402 35546.14633333333 7275.629866666667 5489.7177 7289.8665 6203.734 38545.402 13997.542824999999
991 375.26331814331786 8.771405 71569.41686666667 61971.477 71569.41686666667 61971.477 90033.29466666665 64988.88733333334 69780.207 76240.044 56804.651333333335 61971.477 70969.545625
4429 376.1022409921829 21.008083 14.683019999999999 4856.5176 14.683019999999999 4856.5176 73.4151 0.0 0.0 0.0 0.0 4856.5176 317.29768125
2832 377.2112943534806 16.622484 7670.980834666668 0.0 7670.980834666668 0.0 143.55230666666668 3990.6636 5975.890433333334 12803.580166666667 15441.217666666666 0.0 7191.5445325
2978 377.2118027168826 16.992783 2785.4877340000003 0.0 2785.4877340000003 0.0 81.09593666666667 1801.4338 2949.1586 4026.1533999999997 5069.596933333333 0.0 2611.3947506249997
1345 377.2287450089996 11.5606365 74461.86949666667 837.52905 74461.86949666667 837.52905 81.29715 29777.04233333333 65437.63666666666 116163.62133333333 160849.75 837.52905 69860.34821875
1859 377.2291078352381 13.387204 30686.726353333335 5124.8184 30686.726353333335 5124.8184 1159.7531 16204.814666666667 30530.764 44363.630666666664 61174.66933333333 5124.8184 29089.107106249998
1603 377.2298072666836 12.434844 17736.412973333336 1113.6813 17736.412973333336 1113.6813 355.1322 4598.741666666667 8339.622 33783.494666666666 41605.07433333333 1113.6813 16697.49224375
2010 379.2432925345697 14.049301 4499.370405333333 349.9059 4499.370405333333 349.9059 284.53092666666663 4459.740966666667 3332.5577 5762.2570000000005 8657.765433333334 349.9059 4240.02887375
186 380.7761884477157 1.7174658 8615.017593333332 10243.7 8615.017593333332 10243.7 8997.052000000001 8773.549 8431.106433333332 8334.458533333333 8538.921999999999 10243.7 8716.81024375
549 381.0798012183099 2.3192205 1715595.8133333337 2150159.8 1715595.8133333337 2150159.8 2010895.1666666667 1714242.1666666667 1736244.0 1627228.2333333334 1489369.5 2150159.8 1742756.0625
94 381.08010796326687 1.6547832 1414270.5933333333 2248743.8 1414270.5933333333 2248743.8 1319557.7 1482635.6333333335 1404416.0666666667 1457319.7666666666 1407423.8 2248743.8 1466425.1687500002
1994 381.2524938176052 13.88633 13132.294353333333 9965.092 13132.294353333333 9965.092 8600.721766666667 10747.212333333335 13396.622000000001 18270.32533333333 14646.590333333334 9965.092 12934.34420625
2237 383.22677500279497 14.805926 8628.035866666667 0.0 8628.035866666667 0.0 0.0 2130.732066666667 4335.255766666666 14918.542500000001 21755.648999999998 0.0 8088.783624999999
1305 384.2957079467585 11.541993 8527.358573333335 10241.17 8527.358573333335 10241.17 8376.860666666667 7442.589 9444.3505 8391.9482 8981.044500000002 10241.17 8634.471787499999
2778 385.2424630539267 16.560658 23194.54595333333 0.0 23194.54595333333 0.0 495.1063 7568.488133333332 16580.817666666666 42499.751 48828.56666666666 0.0 21744.886831249998
154 386.74179761223405 1.7174658 40460.849866666664 43502.86 40460.849866666664 43502.86 41808.517666666674 39057.899 39209.83733333333 40615.824 41612.17133333333 43502.86 40650.9755
3011 387.2582062062598 17.108969 5076.073013333333 981.68896 5076.073013333333 981.68896 990.1583999999999 4847.0160000000005 4488.395100000001 7846.481166666667 7208.314399999999 981.68896 4820.174010000001
951 388.2538574887509 6.955273 1072.441356 444.77234 1072.441356 444.77234 209.28136666666668 707.9856566666667 278.35895666666664 3386.3322000000003 780.2486 444.77234 1033.2120425
155 388.7398349227006 1.7174658 15122.1248 15741.693 15122.1248 15741.693 15326.053333333331 14625.829333333333 14733.928 15434.233666666667 15490.579666666667 15741.693 15160.8478125
5001 389.1136711944899 22.37807 3568.811386666667 5339.2256 3568.811386666667 5339.2256 13364.853333333334 4135.084533333334 344.11906666666664 0.0 0.0 5339.2256 3679.462275
4920 389.1139821343618 22.265945 2583.787146666667 23854.635 2583.787146666667 23854.635 11641.977433333333 1276.9583 0.0 0.0 0.0 23854.635 3913.2151375
5627 389.11492467522805 23.501284 1406.9540053333335 203.93471 1406.9540053333335 203.93471 880.8704166666666 1094.0343466666666 4741.055 149.84165333333334 168.96860999999998 203.93471 1331.765299375
703 389.8971389650211 2.9669583 12719.602119999998 14949.052 12719.602119999998 14949.052 13575.360666666666 10887.613166666666 9930.6101 14876.24 14328.186666666666 14949.052 12858.9427375
203 390.7413630187356 1.7007512 1812.3787133333333 1915.6278 1812.3787133333333 1915.6278 1805.6452666666667 1753.2393 1825.3862333333334 1781.4211666666667 1896.2016 1915.6278 1818.83178125
428 390.7852067581928 2.0099864 1395.0424913333334 1044.9519 1395.0424913333334 1044.9519 1277.36909 1589.7548666666669 1441.6724000000002 1545.2724333333335 1121.1436666666666 1044.9519 1373.161829375
5490 391.2859759434308 23.246988 98364.35326666667 101813.32 98364.35326666667 101813.32 112421.60666666667 84166.51033333334 75840.67666666665 104801.206 114591.76666666666 101813.32 98579.9136875
1697 392.1931182435189 12.749684 127502.85406666668 138194.75 127502.85406666668 138194.75 128660.72666666668 129271.06333333334 141761.09666666668 118611.337 119210.04666666668 138194.75 128171.0975625
1281 393.2075324890546 11.466776 35373.93977333334 1877.7458 35373.93977333334 1877.7458 1981.1028666666668 6589.503333333333 20274.889333333336 64603.49166666666 83420.71166666667 1877.7458 33280.42765
1929 395.2289636732048 13.706635 2162.32879 705.02295 2162.32879 705.02295 1220.5376166666665 1372.6811666666665 1877.9021333333333 2368.4364666666665 3972.086566666667 705.02295 2071.247175
1208 395.2380489734997 11.096701 6059.438602666666 0.0 6059.438602666666 0.0 0.0 1145.1025466666667 2614.190533333333 3772.7455999999997 22765.154333333336 0.0 5680.723690000001
1695 397.14917623814006 12.749684 28041.407 29730.61 28041.407 29730.61 27339.056666666667 28595.624333333337 29493.98833333333 27065.99266666667 27712.373000000003 29730.61 28146.982187499998
1564 397.2484575031381 12.311773 1964.6923046666666 0.0 1964.6923046666666 0.0 0.0 0.0 627.40449 2677.836333333333 6518.220700000001 0.0 1841.899035625
1418 397.2520077783046 11.9393425 4378.4463866666665 0.0 4378.4463866666665 0.0 0.0 0.0 1326.4927333333333 8553.8022 12011.937 0.0 4104.7934875
1159 397.2540103472893 10.822108 15972.806585333334 0.0 15972.806585333334 0.0 0.0 320.01615999999996 4151.1361 24312.49 51080.390666666666 0.0 14974.50617375
2232 399.21198503864383 14.811968 4884.265374666666 0.0 4884.265374666666 0.0 132.44490666666667 0.0 0.0 10965.7593 13323.122666666664 0.0 4578.998788749999
2781 401.21848679888575 16.561047 4670.4788266666665 0.0 4670.4788266666665 0.0 0.0 2603.134 5615.202833333334 6768.503833333333 8365.553466666666 0.0 4378.5739
1837 401.23011636441447 13.27131 37344.55183733333 502.381 37344.55183733333 502.381 453.7741866666666 13241.973 30627.47766666667 58133.23433333333 84266.29999999999 502.381 35041.91616
1570 401.23102210884775 12.35391 32997.37638 231.71184 32997.37638 231.71184 0.0 9939.894233333334 25946.384000000002 52914.61233333333 76185.99133333334 231.71184 30949.52234625
2014 401.2318168591855 14.036764 9512.58918666667 569.4916 9512.58918666667 569.4916 967.2095333333333 4500.777166666667 8125.146233333333 13864.520666666669 20105.292333333335 569.4916 8953.6455875
1877 403.243865771388 13.490645 8022.130292 0.0 8022.130292 0.0 70.83142666666667 2974.7634333333335 5847.579933333333 13007.051666666666 18210.425 0.0 7520.747148750001
665 410.8147570825707 2.7371213 2879.828833333333 2242.6404 2879.828833333333 2242.6404 2624.6553666666664 1982.5750666666665 4721.318566666667 2453.3423000000003 2617.2528666666667 2242.6404 2840.00455625
1025 411.17539179575454 9.40242 4680.018593333333 4272.352 4680.018593333333 4272.352 5163.3875333333335 3866.455566666666 4444.179133333334 4521.2763 5404.7944333333335 4272.352 4654.539431249999
1190 411.21318202651 11.040296 2751.0401759999995 204.90088 2751.0401759999995 204.90088 66.91389 455.9090233333333 1559.437466666667 2952.2856666666667 8720.654833333332 204.90088 2591.90647
412 412.776804245263 2.0099874 2925.6678533333334 4256.178 2925.6678533333334 4256.178 2386.6977333333334 4235.400233333333 2427.7374999999997 2193.742466666667 3384.7613333333334 4256.178 3008.8247375
5492 413.2709951747343 23.246988 10073.924673333335 7809.2417 10073.924673333335 7809.2417 10939.430166666665 6358.725200000001 7746.722333333334 10735.549333333332 14589.196333333333 7809.2417 9932.3819875
1812 414.3015487770779 13.217715 77524.0186 77278.13 77524.0186 77278.13 72189.79 79790.85333333333 81500.31000000001 78186.018 75953.12166666666 77278.13 77508.6505625
2196 414.3018533706973 14.71793 12827.586766666667 13630.384 12827.586766666667 13630.384 13679.421333333332 13274.479666666666 12159.408333333333 12903.1775 12121.447 13630.384 12877.761593750001
2092 414.3018712357247 14.354361 61897.736466666654 59027.727 61897.736466666654 59027.727 59429.95233333333 64479.59 61741.91566666667 65450.06100000001 58387.16333333333 59027.727 61718.360875
5942 415.0397273416439 23.835144 10214.8549 5916.258 10214.8549 5916.258 2946.7336333333333 26056.65066666667 2638.8625 5643.7357 13788.292 5916.258 9946.19259375
1192 415.18470453800353 11.015904 3127.935123333334 6801.342 3127.935123333334 6801.342 6311.9076 4218.004133333333 2898.467033333333 1390.8482333333334 820.4486166666667 6801.342 3357.523053125
2602 415.212678033034 16.025902 396700.89 452395.8 396700.89 452395.8 487705.85333333333 342043.43 404351.91333333333 378844.01666666666 370559.23666666663 452395.8 400181.821875
2735 415.2146271513252 16.485579 37298.20966666668 33775.496 37298.20966666668 33775.496 34995.73333333333 30294.63266666666 43210.96466666667 33960.83933333333 44028.87833333333 33775.496 37078.0400625
3858 416.3042369314522 19.448385 2943.6078533333334 2970.3706 2943.6078533333334 2970.3706 3016.0440333333336 2460.2162000000003 2435.7719666666667 2952.080566666667 3853.9265 2970.3706 2945.280525
171 416.7742986215779 1.7132866 2757.57448 3606.9573 2757.57448 3606.9573 3030.8909666666664 2541.1530333333335 2710.767966666667 2778.2366333333334 2726.8238 3606.9573 2810.66090625
1575 417.2133971510384 12.344323 13828.312673333334 385.26617 13828.312673333334 385.26617 1008.6670999999998 3758.6239333333338 14692.492333333334 26094.793999999998 23586.986 385.26617 12988.122266875002
1851 417.218607490913 13.330547 12936.977250666669 1003.4176 12936.977250666669 1003.4176 852.3434866666666 6581.980433333333 14929.543333333335 21504.777333333335 20816.24166666667 1003.4176 12191.1297725
5141 417.2859355669115 22.511488 19937.223833333333 19893.525 19937.223833333333 19893.525 21888.409 17192.5765 15482.745 21213.136000000002 23909.252666666667 19893.525 19934.492656249997
173 419.036749522374 1.7174658 8087.1964266666655 9758.762 8087.1964266666655 9758.762 8838.04 7652.561199999999 8147.883466666666 7030.1467999999995 8767.350666666667 9758.762 8191.669275
1565 419.2260074215907 12.334312 4289.103789999999 237.80759 4289.103789999999 237.80759 72.29968333333333 1437.0487 2560.8328333333334 7291.3784000000005 10083.959333333332 237.80759 4035.8977775000003
1426 419.2373884180445 11.94742 11406.614356666665 0.0 11406.614356666665 0.0 144.56165000000001 2129.6097666666665 7929.571866666668 16246.024833333335 30583.30366666667 0.0 10693.700959374999
1156 419.2408091520011 10.799819 26192.4317 0.0 26192.4317 0.0 0.0 2015.0391666666667 16900.154 44654.62366666666 67392.34166666666 0.0 24555.40471875
1509 421.2520526092408 12.181609 2813.2613606666664 0.0 2813.2613606666664 0.0 0.0 452.97187 1448.6306666666667 5459.3074333333325 6705.396833333332 0.0 2637.432525625
1223 421.2521329887326 11.161984 5724.628876666667 0.0 5724.628876666667 0.0 0.0 450.25325000000004 1241.4171333333334 9702.082 17229.392000000003 0.0 5366.839571875
193 424.7116336427053 1.6882148 1676.0493199999999 2015.3059 1676.0493199999999 2015.3059 1735.9945 1441.1851 1596.6402999999998 1762.671833333333 1843.7548666666669 2015.3059 1697.2528562500001
3874 424.8197311303056 19.452562 8062.64132 9285.661 8062.64132 9285.661 8773.155833333332 7487.4378 7264.502100000001 8126.200199999999 8661.910666666667 9285.661 8139.08005
1018 425.18959355088646 9.272876 6985.259546666668 11794.563 6985.259546666668 11794.563 11069.701000000001 8122.382966666667 6160.0194 4982.188566666667 4592.0058 11794.563 7285.841012499999
1676 425.3104346132087 12.682829 5176.0051 4629.0015 5176.0051 4629.0015 6189.0913 6831.676666666666 4426.341866666667 3883.3187999999996 4549.596866666667 4629.0015 5141.8173750000005
424 428.7520720471787 2.0434198 26205.528666666665 27651.566 26205.528666666665 27651.566 30375.631666666668 29939.913 30021.10266666667 20380.456000000002 20310.539999999997 27651.566 26295.906000000003
5130 429.0901650487985 22.46972 30095.182573333335 23076.809 30095.182573333335 23076.809 95388.94066666666 36216.208666666666 4746.7675 6652.932566666667 7471.0634666666665 23076.809 29656.534225000003
4640 429.09024076507205 21.735868 20608.774639999996 190179.44 20608.774639999996 190179.44 85627.51366666667 6502.345866666667 3107.112966666666 2349.9043 5456.9964 190179.44 31206.941225
5503 429.2342117671968 23.267874 1608.0178646666668 1204.9988 1608.0178646666668 1204.9988 1697.3970333333334 1388.02798 739.9689766666667 2126.9120666666668 2087.783266666667 1204.9988 1582.8291731250001
1863 430.2867059034226 13.42502 782.085272 4133.788 782.085272 4133.788 3550.938666666667 142.14341 72.22007666666667 72.46343333333333 72.66077333333332 4133.788 991.5666925
1199 430.2965920178056 11.04472 16951.197600000003 12392.482 16951.197600000003 12392.482 18802.074 11011.322666666667 18853.657666666666 22361.802333333337 13727.131333333333 12392.482 16666.277875
3790 430.3844125139044 19.231071 5067.0413 9592.347 5067.0413 9592.347 5828.1156666666675 3790.993166666667 5549.856666666667 3836.9839666666667 6329.257033333332 9592.347 5349.87290625
524 430.7838413891635 2.298326 25361.044999999995 30475.152 25361.044999999995 30475.152 30130.91966666667 19069.466333333334 30153.476666666666 20667.146 26784.216333333334 30475.152 25680.676687500003
369 430.7843233154697 1.8804417 19215.971866666667 12522.999 19215.971866666667 12522.999 12636.792333333333 24698.083333333332 12850.811 25637.124666666667 20257.048 12522.999 18797.6610625
1702 431.20841763110826 12.811221 25377.42946666667 0.0 25377.42946666667 0.0 0.0 30275.813 35276.79433333333 29995.09933333333 31339.440666666665 0.0 23791.340125000002
2595 432.2406334750648 16.025902 65245.9194 73777.59 65245.9194 73777.59 80941.53333333333 57072.10066666667 68821.26333333335 61686.794 57707.905666666666 73777.59 65779.1488125
962 432.2805876482028 7.4801445 2482.423266666666 1665.0516 2482.423266666666 1665.0516 1862.6262 1920.1952 1814.2479333333333 4774.395533333333 2040.651466666667 1665.0516 2431.3375375
1823 432.3119238314244 13.226074 82451.11486666667 34000.285 82451.11486666667 34000.285 66269.049 91979.92666666668 86179.99033333334 85688.68333333333 82137.925 34000.285 79422.938
2199 432.3121549353766 14.717929 26864.06506666667 31075.076 26864.06506666667 31075.076 29161.002999999997 27612.868 25618.73066666667 27502.547000000002 24425.176666666666 31075.076 27127.25325
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3872 433.3295705519411 19.444208 8797.358520000002 10136.284 8797.358520000002 10136.284 8844.7446 7704.336466666668 8310.297400000001 8951.851133333332 10175.563 10136.284 8881.0413625
157 434.74930699279776 1.7174658 4916.079020000001 5016.004 4916.079020000001 5016.004 5153.890566666666 5096.5865 4686.538333333334 4931.053766666667 4712.3259333333335 5016.004 4922.32433125
1569 435.2156360340141 12.337621 1396.4022386666666 0.0 1396.4022386666666 0.0 0.0 549.0475266666666 772.3645 2323.2644999999998 3337.334666666667 0.0 1309.12709875
1157 435.2174065920108 10.78868 14473.16764 0.0 14473.16764 0.0 0.0 792.0599333333333 6949.5446 26596.900333333335 38027.333333333336 0.0 13568.5946625
1421 435.217426424796 11.942021 4202.774944666667 0.0 4202.774944666667 0.0 0.0 793.01949 2549.832733333333 5909.090833333333 11761.931666666665 0.0 3940.101510625
596 436.8200005792206 2.4822125 8695.173933333333 14841.522 8695.173933333333 14841.522 9009.628666666666 7406.1956666666665 8626.814 9203.972 9229.259333333333 14841.522 9079.3206875
2600 437.1964589738178 16.025902 60687.390199999994 48787.664 60687.390199999994 48787.664 59755.34766666667 44497.649 59533.378000000004 72766.01766666667 66884.55866666666 48787.664 59943.6573125
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5145 439.2718580899777 22.49895 6524.7315 3878.6384 6524.7315 3878.6384 6051.2848 5775.410033333334 4567.784666666666 7162.256666666667 9066.921333333334 3878.6384 6359.35068125
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3592 462.3112196530265 18.63349 4325.776933333333 5146.122 4325.776933333333 5146.122 5415.926933333333 3461.7804333333333 4243.194466666667 3512.9545 4995.028333333333 5146.122 4377.048500000001
4205 462.354023089214 20.238178 12077.258086666669 13228.456 12077.258086666669 13228.456 14664.128333333334 11378.376333333334 9065.7131 12137.579 13140.493666666667 13228.456 12149.20795625
4642 463.1354946504232 21.725605 2243.5319806666666 20723.703 2243.5319806666666 20723.703 10570.441766666667 558.4762833333334 0.0 0.0 88.74185333333332 20723.703 3398.5426693750005
5921 463.140392757092 23.788614 2824.826469333334 0.0 2824.826469333334 0.0 2864.7489 70.52224666666667 1111.1958 2903.0393999999997 7174.626 0.0 2648.2748149999998
5584 463.1413767978286 23.47295 3077.997888 6302.3486 3077.997888 6302.3486 6987.3045999999995 693.14151 5450.188 1033.4143966666668 1225.9409333333333 6302.3486 3279.5198075
1849 464.2175811939688 13.330545 17014.018333333333 19391.92 17014.018333333333 19391.92 14636.121333333334 15246.278666666665 16841.688666666665 19349.73 18996.273 19391.92 17162.6371875
1685 464.2839537565288 12.737148 34000.53946666667 57397.152 34000.53946666667 57397.152 25760.57933333334 36576.996 24536.247333333333 48133.29266666667 34995.581999999995 57397.152 35462.82775
4374 464.32049089980086 20.90681 4820.65218 3444.1155 4820.65218 3444.1155 5796.3934 5651.322966666667 4113.8916 4554.830066666666 3986.822866666667 3444.1155 4734.6186375
4967 464.3598596275046 22.31929 19132.47313333333 16558.393 19132.47313333333 16558.393 17515.478 21471.55 16823.221999999998 17888.175333333336 21963.940333333332 16558.393 18971.593125
406 464.7338236797484 2.0684907 809.064092 956.117 809.064092 956.117 920.8205366666667 666.31659 667.1437333333333 785.0436666666668 1005.9959333333333 956.117 818.2548987499999
159 465.0423706878199 1.7174658 19979.540533333333 23818.516 19979.540533333333 23818.516 19900.09 20201.259666666665 20155.297666666665 20044.493 19596.56233333333 23818.516 20219.4765
1865 465.3236872919144 13.418377 1187.1252639999998 6070.2227 1187.1252639999998 6070.2227 5039.796866666667 241.7485 150.82224 177.22883666666667 326.02987666666667 6070.2227 1492.31885375
609 465.7753326875428 2.5031085 6156.729413333334 5820.462 6156.729413333334 5820.462 8294.677333333333 4780.0818 4272.540099999999 7284.786766666667 6151.561066666666 5820.462 6135.7127
5807 467.1035223912669 23.679083 1973.9112 0.0 1973.9112 0.0 9869.556 0.0 0.0 0.0 0.0 0.0 1850.54175
5562 467.1042067996957 23.48021 3729.756733333333 14508.124 3729.756733333333 14508.124 18648.783666666666 0.0 0.0 0.0 0.0 14508.124 4403.4046875
1710 469.1654122667848 12.8167925 40633.87673333334 0.0 40633.87673333334 0.0 0.0 55444.775 54653.733 48694.73866666667 44376.136999999995 0.0 38094.259437500004
1042 469.1871608328786 9.546166 1236.0405493333335 0.0 1236.0405493333335 0.0 0.0 366.10921333333334 1269.8987666666665 1930.3631999999998 2613.8315666666663 0.0 1158.788015
4991 469.3230206803402 22.319279 4201.755813333333 2468.2432 4201.755813333333 2468.2432 4058.3714 3803.664166666667 3554.405033333333 4121.126933333333 5471.211533333334 2468.2432 4093.411275
3805 469.3233935922698 19.297937 3627.78458 2987.6167 3627.78458 2987.6167 4085.388333333333 2817.6721333333335 2480.2820666666667 4037.6829666666667 4717.897400000001 2987.6167 3587.7740875
170 470.71001937801793 1.7174658 20279.62266666667 21763.184 20279.62266666667 21763.184 20409.214 19923.756 19536.596 19933.697333333334 21594.85 21763.184 20372.34525
1826 472.3051232449026 13.263683 9287.698719999999 4701.4307 9287.698719999999 4701.4307 7978.260433333333 10262.844166666668 7055.825666666667 11327.262800000002 9814.300533333333 4701.4307 9001.05696875
2094 472.3054090720545 14.354361 10766.977906666665 23221.004 10766.977906666665 23221.004 9269.806666666665 10690.368666666667 15349.437333333333 9400.188333333334 9125.088533333334 23221.004 11545.3545375
2197 472.30600813202966 14.713751 5009.728659999999 5723.592 5009.728659999999 5723.592 5559.087466666667 5153.3787999999995 4745.557633333334 5134.5913666666665 4456.028033333333 5723.592 5054.3451187499995
160 472.7043112622697 1.7174658 9207.506933333334 10333.884 9207.506933333334 10333.884 9030.716999999999 8820.383666666667 9246.950333333334 9428.642999999998 9510.840666666665 10333.884 9277.905499999999
558 472.882601279403 2.3192205 15933.47474 21844.12 15933.47474 21844.12 32819.949 17702.858333333334 13429.608999999999 11039.364 4675.593366666667 21844.12 16302.890068749999
2618 473.2689544535642 16.03008 2451.7365599999994 3226.5469 2451.7365599999994 3226.5469 3685.250633333333 1942.5653 2215.7325 2350.0371 2065.097266666667 3226.5469 2500.16220625
6421 475.28614694187456 24.707577 4106.702546666666 4654.3037 4106.702546666666 4654.3037 5885.827066666666 2940.9484666666663 1416.2208666666666 8254.519666666667 2035.9966666666667 4654.3037 4140.92761875
6359 475.28749360526473 24.449999 1069.2072 1801.727 1069.2072 1801.727 0.0 0.0 0.0 0.0 5346.036 1801.727 1114.9896875
3343 476.2784843812029 18.031729 20075.84406666666 25076.299 20075.84406666666 25076.299 27937.910999999996 21810.269666666663 20001.903333333335 17387.84 13241.296333333332 25076.299 20388.372499999998
970 476.307491552028 7.7726626 2059.5389466666666 886.9678 2059.5389466666666 886.9678 1238.7224 1613.3474999999999 1496.2196333333334 4244.9702 1704.4350000000002 886.9678 1986.2532500000002
2912 478.29472683875446 16.870054 139279.672 133275.25 139279.672 133275.25 133155.45333333334 147236.29666666666 147249.36666666667 145940.80000000002 122816.44333333334 133275.25 138904.395625
3048 478.2949374393157 17.229397 146352.70433333336 92173.195 146352.70433333336 92173.195 109197.63500000001 138140.02 158284.33333333334 178293.30666666664 147848.22666666668 92173.195 142966.485
3705 478.33255613654256 18.980343 8635.392513333332 7183.5903 8635.392513333332 7183.5903 9644.596333333333 8866.995 9794.764333333333 8602.371799999999 6268.235100000001 7183.5903 8544.654875
3594 480.31047485239753 18.63349 103515.57993333331 81466.83 103515.57993333331 81466.83 94088.07333333335 92041.15999999999 101998.39000000001 121130.14133333333 108320.13500000001 81466.83 102137.5330625
3412 480.3106244913944 18.232344 76683.22546666667 58808.887 76683.22546666667 58808.887 62410.05866666667 72950.88533333334 75702.12333333334 88922.46999999999 83430.59 58808.887 75566.0793125
1686 482.2959580850317 12.741327 7639.3073466666665 11186.834 7639.3073466666665 11186.834 5036.195633333334 7386.128433333332 9583.243 9399.175666666668 6791.793999999999 11186.834 7861.0277625
4370 482.32788082551616 20.906813 168771.49733333336 147085.83 168771.49733333336 147085.83 203195.59 185995.30000000002 145361.22666666665 159517.85666666666 149787.51333333334 147085.83 167416.143125
4169 482.3280492547681 20.171303 22941.1344 18605.506 22941.1344 18605.506 22252.915333333334 22185.486333333334 20839.808 24966.834000000003 24460.62833333333 18605.506 22670.157625
1356 483.1531992645285 11.6913 2885.9319746666665 0.0 2885.9319746666665 0.0 0.0 878.5521066666666 4068.3368000000005 4633.279633333333 4849.491333333333 0.0 2705.56122625
1970 483.3515324731868 13.73589 3431.239313333333 2963.391 3431.239313333333 2963.391 3651.6824333333334 3420.993 3260.0020666666665 3379.5853666666667 3443.9337 2963.391 3401.99879375
2384 484.3492201356843 15.290432 11456.839773333333 10343.939 11456.839773333333 10343.939 14677.779333333334 10786.398466666667 10840.678566666667 11093.959333333332 9885.383166666667 10343.939 11387.283475
311 484.7183697261078 1.8511916 38335.553933333336 56459.656 38335.553933333336 56459.656 54600.36033333334 40345.272999999994 30397.102333333332 31440.788 34894.24599999999 56459.656 39468.310312500005
1847 485.15091797715655 13.305473 3647.1885866666667 3616.037 3647.1885866666667 3616.037 3465.328766666667 3149.1939666666663 3513.385 4747.922299999999 3360.1129 3616.037 3645.2416125
1040 485.16037196194674 9.540596 10251.026253333333 0.0 10251.026253333333 0.0 0.0 3049.8932666666665 10689.358666666667 14573.187333333333 22942.692 0.0 9610.3371125
1083 485.1614105053136 10.008627 3695.81536 0.0 3695.81536 0.0 0.0 1825.4422333333332 5044.691333333333 5706.408466666668 5902.534766666667 0.0 3464.8269
1825 488.2789829845317 13.246965 6147.309373333334 10239.404 6147.309373333334 10239.404 5421.9978 6546.3659 7893.664333333334 6466.0746 4408.444233333334 10239.404 6403.0652875
2095 488.2802073787793 14.354361 6736.301859999999 5625.9766 6736.301859999999 5625.9766 6319.832333333335 6679.3013 5517.009999999999 6961.397666666667 8203.968 5625.9766 6666.90653125
2198 488.28102158976486 14.722107 2687.8877399999997 3113.7075 2687.8877399999997 3113.7075 3031.23 2713.0382999999997 2556.6615 2607.275833333333 2531.2330666666667 3113.7075 2714.501475
2403 489.30078169628126 15.332221 1007.0882006666666 639.83435 1007.0882006666666 639.83435 774.8109 875.2062466666666 1178.3831333333335 1078.66899 1128.3717333333334 639.83435 984.134835
4442 491.3764863116552 21.007105 10256.39902 6501.3433 10256.39902 6501.3433 10247.074333333332 10126.993333333334 7108.120333333333 9249.676433333334 14550.130666666666 6501.3433 10021.7080375
2834 494.3263578605445 16.627665 23530.577 32672.447 23530.577 32672.447 37171.06 22825.755 19128.239 19788.796 18739.035 32672.447 24101.943874999997
3480 496.34112039448144 18.403656 110669.13613333335 90113.21 110669.13613333335 90113.21 106784.38199999998 106593.09000000001 117594.58666666667 106269.89000000001 116103.732 90113.21 109384.39074999999
3697 496.3412164917178 18.9678 804320.9146666665 1257353.1 804320.9146666665 1257353.1 1332522.6 867569.75 723957.6033333334 659297.7799999999 438256.84 1257353.1 832635.42625
606 496.83920786339183 2.5114646 1785.9674433333332 4793.658 1785.9674433333332 4793.658 1733.0147333333334 1719.6765166666667 1433.8704333333335 1400.0415 2643.2340333333336 4793.658 1973.9481031250002
2909 500.2776603696482 16.865866 9277.032486666667 8241.785 9277.032486666667 8241.785 8529.175666666668 8906.245433333333 9630.751333333334 10324.631666666666 8994.358333333334 8241.785 9212.32951875
3052 500.27782037409423 17.229397 9487.691286666666 6376.344 9487.691286666666 6376.344 7290.074433333332 8661.870666666666 10111.627333333334 11589.343333333332 9785.540666666666 6376.344 9293.232081249998
1968 500.3806317946271 13.752606 49946.07720000001 57460.8 49946.07720000001 57460.8 49899.49733333333 50997.31566666666 49275.42566666667 50717.527 48840.62033333333 57460.8 50415.747375000006
550 501.0394006301939 2.3192205 15911.810666666666 17488.209 15911.810666666666 17488.209 15031.182333333332 15971.681000000002 15919.423666666667 16433.876666666667 16202.889666666668 17488.209 16010.3355625
2935 502.2943707619105 16.920177 373454.5526666667 327551.2 373454.5526666667 327551.2 360051.9766666666 370293.9566666667 384705.86333333334 404193.3833333333 348027.5833333333 327551.2 370585.593125
3041 502.2948706977866 17.22522 318822.9866666666 176883.92 318822.9866666666 176883.92 207405.14 284157.29 349680.69999999995 403129.12666666665 349742.6766666667 176883.92 309951.795
3413 502.296727972049 18.232344 11210.85434 9646.513 11210.85434 9646.513 9943.379666666666 9816.413866666668 11654.547833333332 12999.071666666665 11640.858666666667 9646.513 11113.083006249999
3596 502.296782056044 18.63349 11429.842600000002 10590.233 11429.842600000002 10590.233 10977.921333333332 10133.220666666666 11139.349333333334 12931.051 11967.670666666667 10590.233 11377.367
1195 504.2745775121658 11.040541 1349.9349833333333 1358.9077 1349.9349833333333 1358.9077 1414.2268000000001 1183.3344666666665 1889.7811000000002 1219.6730333333333 1042.6595166666668 1358.9077 1350.495778125
4371 504.3096089126773 20.90681 13294.857933333335 7985.5806 13294.857933333335 7985.5806 15766.459333333332 14194.611666666666 9617.317666666668 13400.447999999999 13495.453000000001 7985.5806 12963.0281
3251 504.3109882043631 17.697426 27578.440000000002 22275.268 27578.440000000002 22275.268 22563.535333333333 25891.005 28138.107999999997 31935.512666666666 29364.039 22275.268 27246.99175
3349 504.3116079680068 18.031729 28218.32706666667 14770.708 28218.32706666667 14770.708 16857.98 22700.977 28529.175000000003 36829.140999999996 36174.36233333333 14770.708 27377.850874999996
4166 504.3156673253234 20.150408 2163.9922866666666 1148.232 2163.9922866666666 1148.232 2073.3867333333333 2349.0624333333335 1746.1124 2301.2166 2350.183266666667 1148.232 2100.50726875
3743 504.3405213351887 19.097355 1735.6039800000003 2389.0308 1735.6039800000003 2389.0308 2567.7406333333333 1644.9793000000002 1640.5174333333334 1448.528266666667 1376.2542666666668 2389.0308 1776.4431562500001
1965 505.331403324882 13.744249 3703.0585333333324 4231.292 3703.0585333333324 4231.292 4086.8566666666666 3489.2687666666666 3842.2846000000004 3371.488833333333 3725.3938 4231.292 3736.0731250000003
3352 506.3379421885993 18.00249 2720.4094466666666 1290.533 2720.4094466666666 1290.533 2069.5708 2673.259466666667 2476.547533333334 3232.874533333333 3149.7949000000003 1290.533 2631.04216875
2714 506.3528462833414 16.38946 8105.1746 1304.1757 8105.1746 1304.1757 7811.780200000001 9833.872333333335 11819.693333333335 5153.722 5906.805133333332 1304.1757 7680.11216875
3020 508.2901275612343 17.099867 3309.1284466666666 1384.0026 3309.1284466666666 1384.0026 2043.7429333333332 2573.5228 3431.1797 4134.087733333334 4363.109066666667 1384.0026 3188.80808125
105 508.69630783123023 1.7007501 4092.517893333333 4587.327 4092.517893333333 4587.327 4550.082033333333 4554.8152 3992.318866666667 2846.2536999999998 4519.1196666666665 4587.327 4123.443462499999
3575 509.2999235650311 18.595896 3336.489533333333 5203.858 3336.489533333333 5203.858 5353.432533333334 3536.263466666667 2749.9711 3098.2389333333335 1944.5416333333335 5203.858 3453.2000625
2814 516.313766726147 16.619308 3568.696153333333 6580.5244 3568.696153333333 6580.5244 4683.165233333333 2815.3745999999996 3767.5109333333335 4112.0428 2465.3871999999997 6580.5244 3756.9354187500003
551 517.0135439766528 2.3192205 136330.116 146193.33 136330.116 146193.33 132030.36666666667 139210.5 137235.11 137387.8966666667 135786.70666666667 146193.33 136946.566875
1693 517.3274864618348 12.745507 1410.511686666667 1509.409 1410.511686666667 1509.409 1410.2064 1531.0220666666667 1365.7564666666665 1525.7961666666667 1219.7773333333334 1509.409 1416.69276875
3473 518.3234956607101 18.382761 5071.434513333333 5250.703 5071.434513333333 5250.703 6524.352333333333 5166.084 4848.636933333333 4954.087333333333 3864.011966666667 5250.703 5082.63879375
3698 518.3244727631611 18.967802 53476.43506666667 72909.52 53476.43506666667 72909.52 86345.57666666666 57064.59966666667 47960.96266666666 44553.11566666667 31457.92066666666 72909.52 54691.002875000006
4373 520.2780306758182 20.902636 2040.3606466666665 1511.7715 2040.3606466666665 1511.7715 2713.5440999999996 2224.7862999999998 1503.103933333333 1871.6057 1888.7632 1511.7715 2007.3238249999997
3136 520.3413309402374 17.429981 361378.9866666667 564556.75 361378.9866666667 564556.75 609486.6333333333 360038.3466666667 306961.29333333333 307442.0933333333 222966.56666666665 564556.75 374077.596875
3288 520.3422834942163 17.831158 220971.14833333335 264152.3 220971.14833333335 264152.3 337012.6766666667 216121.44333333333 199479.57666666666 210135.21333333335 142106.83166666667 264152.3 223669.97031250002
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5408 521.1342934941537 23.017155 7606.529102666666 124265.27 7606.529102666666 124265.27 8595.091 9857.932999999999 5561.320879999999 6458.4631 7559.837533333334 124265.27 14897.700408749999
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3729 522.3571678546468 19.101532 186385.76599999997 266112.16 186385.76599999997 266112.16 288122.4266666667 192374.7866666667 164733.68666666668 164655.02666666667 122042.90333333334 266112.16 191368.665625
3981 522.3573931989619 19.67821 148452.18300000002 173893.48 148452.18300000002 173893.48 220845.03333333333 149771.99 130624.29 139632.77333333335 101386.82833333332 173893.48 150042.2640625
4227 522.358457710794 20.305052 24502.214800000005 31101.885 24502.214800000005 31101.885 40913.06333333333 27476.2 19607.384000000002 19319.590666666667 15194.836000000001 31101.885 24914.6941875
111 522.6753635477637 1.7132876 27259.03033333334 27193.787 27259.03033333334 27193.787 26322.633 25937.749 27189.047000000002 27769.925333333333 29075.797333333332 27193.787 27254.952625
3127 523.3404492792408 17.42998 4167.581373333333 6057.135 4167.581373333333 6057.135 7080.7957333333325 4426.361766666667 4047.828366666667 2868.373633333334 2414.547366666666 6057.135 4285.678475000001
2934 524.2771062638237 16.916 26319.57213333333 25633.08 26319.57213333333 25633.08 25798.825 25506.033333333336 25086.44 28743.88433333333 26462.678 25633.08 26276.666375
3040 524.2779823252777 17.221043 22025.601133333334 14408.541 22025.601133333334 14408.541 14675.496333333334 20787.813666666665 24754.75733333333 26808.653000000002 23101.285333333333 14408.541 21549.534875
2717 524.3712333936791 16.38946 628175.8893333334 4099.804 628175.8893333334 4099.804 877746.32 735949.1 590869.2533333334 542021.4666666667 394293.30666666664 4099.804 589171.134
178 524.6740945138724 1.7091075 12377.4318 12948.956 12377.4318 12948.956 12833.812333333335 12259.245333333334 12245.975 13043.222 11504.904333333334 12948.956 12413.152062500001
2913 526.2948689711194 16.870054 179417.71333333335 168203.12 179417.71333333335 168203.12 161910.03333333333 165366.01333333334 182022.92666666667 201712.58666666667 186077.00666666668 168203.12 178716.80125
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1821 922.0128972311738 13.244776 37056.82366666666 0.0 37056.82366666666 0.0 23913.52733333333 20065.57933333333 48770.918999999994 84053.78199999999 8480.310666666666 0.0 34740.7721875
1869 922.0129673655476 13.436377 33008.291600000004 39189.93 33008.291600000004 39189.93 23847.629666666664 36573.952333333335 74748.74266666667 17890.3 11980.833333333334 39189.93 33394.644
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328 924.8097890910918 1.8762625 12345.540213333334 5348.3955 12345.540213333334 5348.3955 10901.7724 13590.803333333335 9459.562333333333 17697.101666666666 10078.461333333333 5348.3955 11908.21866875
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4212 927.5977449473784 20.271427 2074.1042533333334 3637.3323 2074.1042533333334 3637.3323 2125.5613 2299.7915666666663 1291.7443 2386.3190666666665 2267.1050333333333 3637.3323 2171.80600625
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338 930.4744658972206 1.8261179 8681.054866666667 8019.192 8681.054866666667 8019.192 8266.433866666668 7927.564299999999 8356.712833333333 9503.079666666667 9351.483666666667 8019.192 8639.6884375
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2160 979.1262807688956 14.571664 3930.3299600000005 3497.511 3930.3299600000005 3497.511 4612.6150333333335 4332.185733333334 4042.851 3906.2466666666664 2757.7513666666673 3497.511 3903.278775
2155 980.1213218931024 14.567486 11313.600799999998 9343.297 11313.600799999998 9343.297 12612.665666666666 11995.763666666666 11414.655666666667 11889.875666666665 8655.043333333333 9343.297 11190.4568125
5969 985.2473294754544 23.840364 6609.443119999999 1506.2334 6609.443119999999 1506.2334 6095.380933333334 6770.1295 2161.6857333333332 12748.528533333332 5271.490900000001 1506.2334 6290.492512499999
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192 988.406123335696 1.7174646 1372.9857566666667 705.78955 1372.9857566666667 705.78955 1319.7081666666666 1218.1967833333333 1544.3826 1350.2517466666668 1432.3894866666667 705.78955 1331.28599375
364 990.492076143962 1.8637282 18490.70666666667 22561.607 18490.70666666667 22561.607 14355.324333333332 19857.426666666666 16030.311666666666 17413.416 24797.054666666667 22561.607 18745.1379375
496 990.4932020743182 2.2899697 15272.176133333332 11855.57 15272.176133333332 11855.57 18715.2 12019.61 13385.726999999999 18004.877333333334 14235.466333333332 11855.57 15058.63825
312 994.4994493625078 1.8553699 4131.161346666667 2125.2295 4131.161346666667 2125.2295 4685.699633333334 2985.353266666667 3113.8480999999997 6198.893666666667 3672.0120666666667 2125.2295 4005.79060625
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4805 998.2902966211238 22.039293 574967.2959200001 4172.2744 574967.2959200001 4172.2744 690636.2838666667 107850.80933333334 28051.996400000004 840524.3823333333 1207773.0076666668 4172.2744 539292.607075
6001 999.289737867944 23.899027 106850.95790000001 7536.607 106850.95790000001 7536.607 158539.74433333334 14748.379500000001 193652.44133333335 15004.724333333332 152309.5 7536.607 100643.81096875001
nf_output/networking/network_singletons.graphml 0000644 0000000 0000000 00003575103 14745575767 021351 0 ustar root root
1493157.3343333334
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1399835.0009375
806.5687
19.91
19.91
0
4
Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC
InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
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986733.800625
784.5851
19.4
19.4
0
4
PC(18:1/18:2); [M+H]+ C44H83N1O8P1
nan
nan
61897.736466666654
59027.727
61897.736466666654
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53735.671
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264.1757
11.83
11.83
0
2
MoNA:963483 Nortriptyline
CNCCC=C1c2ccccc2CCc2ccccc21
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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0.0
763069.3546875
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19.22
19.22
0
4
PC(18:2/18:2); [M+H]+ C44H81N1O8P1
nan
nan
148060.01566666664
205775.75
148060.01566666664
205775.75
225068.18333333332
149084.00333333333
136288.962
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15
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3293374.0
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380272.93333333335
821267.94
923364.815
784.585
19.92
19.92
0
4
PC(18:1/18:2); [M+H]+ C44H83N1O8P1
nan
nan
408231.1900666666
21952.678
408231.1900666666
21952.678
1832950.1
7406.786999999999
4283.363333333334
0.0
196515.7
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740.5248
22.01
22.01
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2
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0.0
0.0
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3
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1001340.2666666668
6430765.0
1220961.4075
786.6011
24.65
24.65
0
4
PC(18:1/18:1); [M+H]+ C44H85N1O8P1
nan
nan
27547.61315333333
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27547.61315333333
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0.0
1337.3285666666668
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0.0
135418.11
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0
1
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2544639.4
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55826.02
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21.38
21.38
0
2
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2573.2896
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8
355134.43354666664
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11
879517.2554
5275765.5
879517.2554
5275765.5
4374685.166666667
22901.11033333333
0.0
0.0
0.0
5275765.5
1154282.7706875
776.2341
22.3
22.3
0
11
255936.9574
120642.195
255936.9574
120642.195
39274.79166666666
189131.18
83035.78199999999
968243.0333333332
0.0
120642.195
247481.03475
732.5644
19.48
19.48
0
10
PC(14:0/18:1); [M+H]+ C40H79N1O8P1
nan
nan
339350.55466666666
11803486.0
339350.55466666666
11803486.0
1139183.7
348601.12000000005
126561.70333333332
15482.803333333335
66923.44666666667
11803486.0
1055859.02
806.5698
24.6
24.6
0
4
Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC
InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
56540.80673333335
38753.336
56540.80673333335
38753.336
61454.301666666666
37332.886
106287.27233333334
31200.086
46429.48766666666
38753.336
55429.0898125
922.0112
0.69
0.69
0
5
54653.9466
105771.26
54653.9466
105771.26
99625.81666666668
69181.74333333333
53536.147
36826.43866666666
14099.587333333337
105771.26
57848.7786875
298.9935
2.39
2.39
0
13
584916.3864000001
188972.42
584916.3864000001
188972.42
203685.14
2057479.153333333
156447.06866666666
161680.30333333334
345290.26666666666
188972.42
560169.8885
834.6005
24.62
24.62
0
20
PC(18:0/22:6); [M+H]+ C48H85N1O8P1
nan
nan
1438546.016133333
19898.836
1438546.016133333
19898.836
165958.68666666668
8283.301333333335
824975.3593333334
3214584.233333333
2978928.5
19898.836
1349880.567375
740.524
22.42
22.42
0
2
219766.51357466663
2232870.2
219766.51357466663
2232870.2
3984.9844
954987.2718333332
2561.945133333333
158.6218
137139.74470666665
2232870.2
345585.49397625006
610.1895
21.82
21.82
0
11
69078.90193333333
0.0
69078.90193333333
0.0
0.0
18209.752666666667
48835.72033333334
103354.69333333331
174994.34333333335
0.0
64761.4705625
333.2639
11.22
11.22
0
2
37056.82366666666
0.0
37056.82366666666
0.0
23913.52733333333
20065.57933333333
48770.919
84053.78199999999
8480.310666666666
0.0
34740.7721875
922.0129
13.24
13.24
0
5
298856.5593333334
111524.97
298856.5593333334
111524.97
136937.3866666667
236280.89666666664
305931.6866666667
400779.3366666666
414353.49
111524.97
287148.335
526.2949
17.1
17.1
0
2
48460.540733333335
42544.36
48460.540733333335
42544.36
118001.15133333334
55573.84666666666
20530.224
34662.028666666665
13535.453
42544.36
48090.7794375
922.0127
8.78
8.78
0
5
494380.3816933333
0.0
494380.3816933333
0.0
1251334.9193333334
1188051.1516666666
1986.776466666667
2328.9126666666666
28200.14833333333
0.0
463481.6078375001
703.5713
20.83
20.83
0
10
SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
nan
nan
104127.42933333332
58400.11
104127.42933333332
58400.11
90070.96166666667
97766.86333333334
105953.61166666668
110539.77166666668
116305.93833333334
58400.11
101269.471875
296.067
2.14
2.14
0
13
34000.53946666667
57397.152
34000.53946666667
57397.152
25760.57933333334
36576.996
24536.247333333333
48133.29266666667
34995.581999999995
57397.152
35462.82775
464.284
12.74
12.74
0
2
804320.9146666665
1257353.1
804320.9146666665
1257353.1
1332522.6
867569.75
723957.6033333334
659297.7799999999
438256.84
1257353.1
832635.42625
496.3412
18.97
18.97
0
15
303594.3622393333
8154.366
303594.3622393333
8154.366
186200.03502
299.5681866666667
1003.0435333333334
424402.8544566667
906066.31
8154.366
285129.36247437506
610.1884
24.2
24.2
0
11
7894.519459999999
0.0
7894.519459999999
0.0
0.0
8325.130266666667
10803.3498
11258.620666666668
9085.496566666669
0.0
7401.111993749999
329.6132
12.39
12.39
0
3
194403.20600000003
227913.66
194403.20600000003
227913.66
219005.3566666667
193304.72666666663
188323.2333333333
198897.10333333336
172485.61
227913.66
196497.609375
300.2901
15.9
15.9
0
2
45419.2124
41223.453
45419.2124
41223.453
34715.33333333333
29892.23966666666
104811.422
38424.74766666667
19252.319333333333
41223.453
45156.9774375
922.013
13.71
13.71
0
5
574967.2959200001
4172.2744
574967.2959200001
4172.2744
690636.2838666667
107850.80933333334
28051.996400000004
840524.3823333333
1207773.0076666668
4172.2744
539292.607075
998.2903
22.04
22.04
0
11
136680.68826666666
49023.152
136680.68826666666
49023.152
156611.28466666667
132792.03833333333
37751.64833333334
65545.57666666666
290702.8933333333
49023.152
131202.09225
922.0113
1.02
1.02
0
5
69787.42093333333
0.0
69787.42093333333
0.0
0.0
50789.99433333333
73876.96333333333
102734.52033333332
121535.62666666666
0.0
65425.707125
305.6291
12.15
12.15
0
3
38268.189733333325
45244.566
38268.189733333325
45244.566
31607.166666666668
16651.631666666664
112903.62
14394.265666666666
15784.264666666668
45244.566
38704.21325
922.0128
10.98
10.98
0
5
44551.51119999999
66577.6
44551.51119999999
66577.6
26324.466
19175.335333333333
24377.430666666667
74771.818
78108.506
66577.6
45928.14175
922.0115
5.02
5.02
0
5
92181.21346666664
100083.45
92181.21346666664
100083.45
127636.70133333332
88524.55133333332
86991.59333333334
93548.80133333332
64204.420000000006
100083.45
92675.10325
544.3423
17.7
17.7
0
15
39903.58245999999
3191.2085
39903.58245999999
3191.2085
1532.92
3395.3935333333334
2184.778766666667
0.0
192404.82
3191.2085
37609.0590875
583.3248
14.68
14.68
0
1
36647.5622
366051.12
36647.5622
366051.12
22352.58333333333
107357.063
8441.935
13667.989666666666
31418.24
366051.12
57235.284562500005
922.0121
7.52
7.52
0
5
615884.814
1049950.2
615884.814
1049950.2
963575.6966666668
706099.71
575899.1233333334
474623.9866666666
359225.5533333334
1049950.2
643013.900625
646.0327
16.22
16.22
0
16
MoNA:641325 SKF-33134A
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
636884.7430666666
137609.45
636884.7430666666
137609.45
112523.82
216641.94866666672
1214845.066666667
134387.4
1506025.4800000002
137609.45
605680.03725
780.5544
22.38
22.38
0
7
PC(18:2/18:3); [M+H]+ C44H79N1O8P1
nan
nan
520423.71446666657
283908.28
520423.71446666657
283908.28
3352.034
2496635.8866666667
21821.809
75069.94366666666
5238.899
283908.28
505641.4998125
850.2531
22.49
22.49
0
11
273015.74780000007
0.0
273015.74780000007
0.0
0.0
21911.36666666667
1310218.9400000002
32948.43233333333
0.0
0.0
255952.2635625
806.5676
19.61
19.61
0
7
Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC
InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
1414149.4
3743.0588
1414149.4
3743.0588
1508844.7333333334
1517712.3666666665
1432521.7333333334
1389892.7
1221775.4666666666
3743.0588
1325999.0036749998
612.2658
12.55
12.55
0
8
8356.07774
0.0
8356.07774
0.0
7996.434233333333
8940.312
8128.779133333332
8401.382466666668
8313.480866666667
0.0
7833.82288125
315.642
11.14
11.14
0
3
28050.6902
73387.484
28050.6902
73387.484
26784.474
28603.18833333333
27238.433
30699.174
26928.181666666667
73387.484
30884.2398125
633.9967
12.53
12.53
0
16
787103.6526933335
294233.88
787103.6526933335
294233.88
5216.462333333334
944.249
3285.4542
1843674.6046
2082397.4933333332
294233.88
756299.2919000001
716.5227
21.14
21.14
0
2
358001.38615133334
0.0
358001.38615133334
0.0
153.23409
279499.81666666665
385221.1666666667
525751.2666666667
599381.4466666667
0.0
335626.299516875
314.6334
12.15
12.15
0
3
177228.59723066667
306454.16
177228.59723066667
306454.16
30615.915666666668
146803.67899999995
723.6311
614235.50292
93764.25746666668
306454.16
185305.19490375
610.1888
21.55
21.55
0
11
306293.4734
557947.75
306293.4734
557947.75
1209774.0333333332
225261.76233333332
73075.14
9400.49
13955.941333333334
557947.75
322021.8656875
807.5732
24.6
24.6
0
4
186385.766
266112.16
186385.766
266112.16
288122.4266666667
192374.7866666667
164733.68666666668
164655.02666666667
122042.90333333334
266112.16
191368.665625
522.3572
19.1
19.1
0
15
289291.70533333335
115299.65
289291.70533333335
115299.65
159438.24166666667
124641.61166666663
227633.48
457452.16
477293.0333333334
115299.65
278417.201875
832.5845
23.63
23.63
0
18
PC(20:3/20:4); [M+H]+ C48H83N1O8P1
nan
nan
85463.39624666664
1265899.0
85463.39624666664
1265899.0
2487.015933333333
0.0
414138.49316666665
6452.2001666666665
4239.271966666666
1265899.0
159240.62148125
536.1736
24.2
24.2
0
11
5717.6607933333335
8874.536
5717.6607933333335
8874.536
7984.003766666666
6123.0817
5780.283666666667
4935.9129
3765.021933333333
8874.536
5914.96549375
279.2199
8.89
8.89
0
2
685676.6202666668
0.0
685676.6202666668
0.0
1309570.7333333334
1152063.6566666665
592656.2923333333
5702.919000000001
368389.5
0.0
642821.8315
756.5542
19.84
19.84
0
4
PC(16:1/18:2); [M+H]+ C42H79N1O8P1
nan
nan
628175.8893333334
4099.804
628175.8893333334
4099.804
877746.32
735949.1
590869.2533333334
542021.4666666667
394293.3066666666
4099.804
589171.134
524.3712
16.39
16.39
0
15
345520.0134199999
161785.12
345520.0134199999
161785.12
68798.90133333333
63248.60933333333
950.6811666666669
368.63526666666667
1594233.24
161785.12
334036.58258124994
703.5747
17.23
17.23
0
10
SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
nan
nan
220971.14833333332
264152.3
220971.14833333332
264152.3
337012.6766666667
216121.44333333333
199479.57666666663
210135.21333333332
142106.8316666667
264152.3
223669.9703125
520.3423
17.83
17.83
0
15
373454.5526666667
327551.2
373454.5526666667
327551.2
360051.9766666666
370293.9566666667
384705.8633333333
404193.3833333333
348027.5833333333
327551.2
370585.593125
502.2944
16.92
16.92
0
2
3613.278006666667
0.0
3613.278006666667
0.0
1559.9362333333336
2896.455033333333
3636.5948
4710.1022
5263.301766666667
0.0
3387.44813125
314.6342
9.74
9.74
0
3
649239.6290066667
287709.5
649239.6290066667
287709.5
1820108.026666667
925765.5533333332
413984.8599999999
9683.125033333334
76656.58
287709.5
626643.99594375
756.5534
19.96
19.96
0
4
PC(16:1/18:2); [M+H]+ C42H79N1O8P1
nan
nan
71080.776
0.0
71080.776
0.0
35890.248
114032.27
124706.91533333332
37114.062666666665
43660.384
0.0
66638.2275
922.0123
8.08
8.08
0
5
46812.56539999999
48520.17
46812.56539999999
48520.17
39613.00333333333
138576.78233333334
16362.606333333337
14269.577
25240.858
48520.17
46919.2906875
922.0128
11.74
11.74
0
5
392518.548
117830.18
392518.548
117830.18
84394.38
138724.69
59675.34333333333
1665115.4533333334
14682.873333333337
117830.18
375350.525
732.563
19.94
19.94
0
10
PC(14:0/18:1); [M+H]+ C40H79N1O8P1
nan
nan
166116.98490666665
195941.45
166116.98490666665
195941.45
574077.589
80916.02500000001
3821.1272
31112.173333333336
140658.01
195941.45
167981.013975
742.5404
23.64
23.64
0
2
185863.48978
0.0
185863.48978
0.0
8633.181
909568.5843333332
5683.788566666666
5431.895
0.0
0.0
174247.02166874998
703.5691
20.09
20.09
0
10
SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
nan
nan
43150.76653333333
70926.33
43150.76653333333
70926.33
27677.498000000003
38300.482
7976.321666666667
54197.80433333333
87601.72666666667
70926.33
44886.73925
922.0116
4.74
4.74
0
5
129366.39891333334
3451.6528
129366.39891333334
3451.6528
46315.26666666666
308505.76666666666
290319.8733333333
0.0
1691.0879000000002
3451.6528
121496.72728125
583.3268
15.56
15.56
0
1
6233.038806666666
2921357.5
6233.038806666666
2921357.5
8802.2379
8476.330666666667
2996.9866
4956.3243
5933.314566666667
2921357.5
188428.31763125
628.1983
20.95
20.95
0
11
396700.89
452395.8
396700.89
452395.8
487705.8533333333
342043.43
404351.9133333333
378844.01666666666
370559.2366666666
452395.8
400181.821875
415.2127
16.03
16.03
0
2
424831.998
643246.75
424831.998
643246.75
718890.3300000001
552938.6733333333
267476.8933333333
267856.66333333333
316997.43
643246.75
438482.92
808.5843
24.01
24.01
0
7
PC(16:0/22:5); [M+H]+ C46H83N1O8P1
nan
nan
385084.20479333337
0.0
385084.20479333337
0.0
944608.088
975240.2153333334
4408.4458
1164.2748333333334
0.0
0.0
361016.4419937501
716.5203
20.05
20.05
0
2
41505.15372000001
2841.74
41505.15372000001
2841.74
3076.9672666666665
29327.244666666666
31744.137
59495.16633333333
83882.25333333334
2841.74
39088.6903625
353.2302
11.7
11.7
0
2
1375798.209466667
6780592.5
1375798.209466667
6780592.5
4470843.333333333
2335393.833333333
9902.208333333334
11778.523333333333
51073.149000000005
6780592.5
1713597.852625
768.5563
21.28
21.28
0
2
353958.8918666666
1590988.1
353958.8918666666
1590988.1
1557140.0333333332
120713.396
61830.31833333333
20015.43233333333
10095.279333333334
1590988.1
431273.217375
792.5567
24.02
24.02
0
2
788832.2566000001
620951.6
788832.2566000001
620951.6
28830.483333333334
1895405.0
1964384.6016666663
0.0
55541.198
620951.6
778339.7155625001
768.5584
20.28
20.28
0
2
85930.94156266665
0.0
85930.94156266665
0.0
1915.52148
52054.136666666665
82239.05333333334
125616.70966666668
167829.28666666665
0.0
80560.257715
339.2562
16.61
16.61
0
2
394379.1
621641.1
394379.1
621641.1
671773.3466666667
491088.9766666666
234709.39
241833.5266666667
332490.26
621641.1
408582.975
808.5845
23.63
23.63
0
7
PC(18:1/20:4); [M+H]+ C46H83N1O8P1
nan
nan
1942691.9326666668
1582636.6
1942691.9326666668
1582636.6
186466.96666666667
4916362.333333333
3463764.2466666666
1037069.8866666668
109796.23
1582636.6
1920188.474375
782.5699
19.7
19.7
0
4
Spectral Match to 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine from NIST14
CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC
InChI=1S/C44H80NO8P/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/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
8069.275939999999
0.0
8069.275939999999
0.0
0.0
5861.724166666667
9052.283533333331
11900.225
13532.147
0.0
7564.94619375
628.2613
11.48
11.48
0
8
64464.178133333335
21727.904
64464.178133333335
21727.904
23207.59766666667
60302.73666666666
67818.018
78951.965
92040.57333333332
21727.904
61793.16099999999
375.2167
11.96
11.96
0
2
8026.497760000001
10488.301
8026.497760000001
10488.301
9860.628
8177.2285
7289.692533333332
7703.879066666667
7101.060699999999
10488.301
8180.3604625
291.1644
7.07
7.07
0
2
562882.0224
0.0
562882.0224
0.0
2249447.333333333
290749.264
202513.75333333333
22163.891666666663
49535.869666666666
0.0
527701.896
807.5727
19.46
19.46
0
4
302143.78527666663
413538.9
302143.78527666663
413538.9
1804.751
1235777.4433333334
272918.14666666667
130.81701666666666
87.76836666666667
413538.9
309105.97994687496
536.1733
23.98
23.98
0
11
587735.6720666667
66023.055
587735.6720666667
66023.055
105643.65666666666
2298359.618333333
259836.86666666667
168621.50999999998
106216.70866666666
66023.055
555128.6335
744.5559
21.94
21.94
0
2
66708.16350133334
128259.8
66708.16350133334
128259.8
332790.0933333333
0.0
591.7944
87.75970000000001
71.17007333333333
128259.8
70555.1407825
776.2357
24.13
24.13
0
11
65245.9194
73777.59
65245.9194
73777.59
80941.53333333333
57072.10066666667
68821.26333333335
61686.794
57707.905666666666
73777.59
65779.1488125
432.2406
16.03
16.03
0
2
16544.621466666667
20507.48
16544.621466666667
20507.48
17738.939333333332
17559.910333333337
17425.385666666665
15699.185666666666
14299.686333333331
20507.48
16792.300125
201.0469
11.76
11.76
0
17
1110683.3881333335
0.0
1110683.3881333335
0.0
4779334.3533333335
297655.0833333333
325729.6733333333
37652.25533333333
113045.57533333334
0.0
1041265.676375
782.5695
19.37
19.37
0
4
PC(18:2/18:2); [M+H]+ C44H81N1O8P1
nan
nan
53065.16258
0.0
53065.16258
0.0
0.0
10558.802233333334
34682.17533333334
82053.86533333334
138030.97
0.0
49748.58991875
331.2465
10.64
10.64
0
2
1858981.6485466664
2772935.5
1858981.6485466664
2772935.5
1210067.9755
0.0
1162733.0005666667
3535738.6
3386368.6666666665
2772935.5
1916103.7642625
764.5272
20.44
20.44
0
2
9543.503446666668
0.0
9543.503446666668
0.0
8708.295566666666
10413.702666666666
9675.418333333331
9954.436333333331
8965.664333333334
0.0
8947.03448125
630.2761
11.14
11.14
0
8
310358.5743333333
260517.69
310358.5743333333
260517.69
0.0
0.0
1402771.29
26945.541666666668
122076.04
260517.69
307243.5190625
834.6012
19.56
19.56
0
20
PC(18:0/22:6); [M+H]+ C48H85N1O8P1
nan
nan
5297.446213333333
0.0
5297.446213333333
0.0
0.0
1961.3784
4439.952333333334
8886.120666666668
11199.779666666667
0.0
4966.355825000001
548.2241
10.62
10.62
0
8
329483.79813333333
0.0
329483.79813333333
0.0
247851.0366666667
337562.93333333335
802086.09
203767.38466666665
56151.546
0.0
308891.06075
768.5563
24.41
24.41
0
2
34345.8496
31344.348
34345.8496
31344.348
12242.685333333333
24486.270666666667
77156.712
35620.20333333333
22223.376666666667
31344.348
34158.25575
922.0119
7.24
7.24
0
5
2303126.7466666666
23068264.0
2303126.7466666666
23068264.0
3820849.466666667
2722597.1333333333
2021663.0
1406624.3666666665
1543899.7666666668
23068264.0
3600947.825
758.5724
19.55
19.55
0
4
PC(16:1/18:1); [M+H]+ C42H81N1O8P1
nan
nan
31537.543266666667
24216.463
31537.543266666667
24216.463
32137.444666666663
53061.58666666667
26995.779333333336
9956.218666666666
35536.687
24216.463
31079.97575
922.0128
9.89
9.89
0
5
300144.1953333334
149114.61
300144.1953333334
149114.61
131617.87666666668
255314.00666666665
507614.5
185975.00666666668
420199.5866666666
149114.61
290704.84625
780.5536
23.63
23.63
0
7
PC(18:2/18:3); [M+H]+ C44H79N1O8P1
nan
nan
57757.37866666667
53250.758
57757.37866666667
53250.758
53302.27366666667
51205.35999999999
56809.45933333334
67245.488
60224.312333333335
53250.758
57475.714875000005
589.9707
14.81
14.81
0
16
614678.9742466667
0.0
614678.9742466667
0.0
59590.30000000001
36313.691666666666
1320.8329
0.0
2976170.046666667
0.0
576261.53835625
703.5741
18.08
18.08
0
10
SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
nan
nan
611433.7875333334
0.0
611433.7875333334
0.0
527425.6333333333
2446417.893333333
0.0
27451.742
55873.669
0.0
573219.1758125
806.5691
19.35
19.35
0
4
Spectral Match to 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine from NIST14
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC
InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
22225.711886666664
0.0
22225.711886666664
0.0
0.0
5056.4071
14826.489666666666
33821.439666666665
57424.223
0.0
20836.60489375
279.2315
11.18
11.18
0
2
1290191.1133333335
1467363.8
1290191.1133333335
1467363.8
1355296.0
1246454.066666667
1292984.2333333334
1342561.3666666667
1213659.9
1467363.8
1301264.40625
618.0025
15.45
15.45
0
16
255652.10174
86546.66
255652.10174
86546.66
13207.093333333332
7582.846666666667
1104.7784666666666
1256365.7902333334
0.0
86546.66
245083.01163125
703.5716
19.18
19.18
0
10
SM(d18:1/16:0); [M+H]+ C39H80N2O6P1
nan
nan
28505.68993333333
101252.74
28505.68993333333
101252.74
94015.97333333331
14313.205333333332
12893.926666666666
11339.097333333331
9966.247
101252.74
33052.3805625
373.2053
11.91
11.91
0
2
349648.0226666667
0.0
349648.0226666667
0.0
624496.2866666666
429097.1566666667
228739.05
245425.21333333332
220482.40666666665
0.0
327795.02125
808.5848
22.38
22.38
0
7
PC(18:1/20:4); [M+H]+ C46H83N1O8P1
nan
nan
1659518.0436666666
1456331.8
1659518.0436666666
1456331.8
6020281.266666667
1207199.066666667
481159.97
425711.1666666667
163238.74833333332
1456331.8
1646818.9034375
782.5695
24.63
24.63
0
4
PC(18:2/18:2); [M+H]+ C44H81N1O8P1
nan
nan
11884.097733333334
13717.544
11884.097733333334
13717.544
13819.946333333331
12453.277666666669
11614.381666666668
11315.447
10217.436000000002
13717.544
11998.688125
287.1326
11.76
11.76
0
17
Massbank:EQ338307 1-[(4-Chlorophenyl)phenylmethyl]piperazine|Norchlorcyclizine|1-(4-Chlorobenzhydryl) piperazine
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
123201.28006666667
53393.656
123201.28006666667
53393.656
54974.013666666666
94570.52666666666
126355.43333333336
149513.36333333334
190593.06333333327
53393.656
118838.3035625
270.3159
18.85
18.85
0
2
61317.001266666666
52372.914
61317.001266666666
52372.914
59047.252
59432.76233333334
65942.166
64826.57200000001
57336.25399999999
52372.914
60757.9958125
432.3123
14.35
14.35
0
2
431924.41060000006
0.0
431924.41060000006
0.0
2027310.5
63974.17533333334
39388.54333333333
18102.49
10846.344333333334
0.0
404929.1349375
776.2349
22.46
22.46
0
11
97455.9872
81352.25
97455.9872
81352.25
100564.015
105178.75866666668
99004.67533333332
104135.985
78396.502
81352.25
96449.503625
327.3374
19.56
19.56
0
2
18512.415466666665
0.0
18512.415466666665
0.0
0.0
12700.245666666664
19254.857
29038.39833333333
31568.57633333333
0.0
17355.389499999997
610.2511
11.15
11.15
0
8
467270.6314
0.0
467270.6314
0.0
163205.98666666666
248592.768
1614957.0633333337
188583.93766666664
121013.40133333334
0.0
438066.21693750005
744.5559
21.25
21.25
0
2
99971.83133333336
0.0
99971.83133333336
0.0
0.0
33424.53566666667
80783.679
155746.83866666668
229904.10333333336
0.0
93723.591875
355.2469
11.33
11.33
0
2
90153.06366666664
161549.12
90153.06366666664
161549.12
104716.18
75963.61333333333
83007.36
88631.96333333333
98446.20166666666
161549.12
94615.3171875
296.0672
1.72
1.72
0
13
284329.4537
0.0
284329.4537
0.0
1155.958566666667
371.2232666666666
1196465.2333333334
223654.85333333336
0.0
0.0
266558.86284375
764.5292
20.76
20.76
0
2
238492.55373333336
43662.582
238492.55373333336
43662.582
69915.348
96618.53
166023.95599999998
352604.5833333333
507300.35133333335
43662.582
226315.6805
338.3422
23.79
23.79
0
2
86994.442
3367.0872
86994.442
3367.0872
221567.88666666663
0.0
0.0
213404.32333333333
0.0
3367.0872
81767.73232499999
583.3266
15.33
15.33
0
1
521493.1628666667
61103.52
521493.1628666667
61103.52
874414.3756666668
75983.56
704208.2086666668
246853.37
706006.2999999999
61103.52
492718.8101875
998.2902
23.79
23.79
0
11
12337.105906666668
0.0
12337.105906666668
0.0
0.0
1717.7303
7069.5062333333335
19750.001
33148.292
0.0
11566.0367875
331.2449
11.75
11.75
0
17
39094.706913333335
0.0
39094.706913333335
0.0
0.0
8855.2339
27403.49266666667
60391.98466666666
98822.82333333332
0.0
36651.28773125
297.2425
11.22
11.22
0
2
864172.3813333333
233336.62
864172.3813333333
233336.62
455084.7766666667
658796.39
1693284.4666666668
1074005.0133333334
439691.26
233336.62
824745.14625
832.5846
24.03
24.03
0
18
PC(18:1/22:6); [M+H]+ C48H83N1O8P1
nan
nan
2378031.066666667
3465.9263
2378031.066666667
3465.9263
2518126.966666667
2564261.333333333
2463444.4
2272392.7666666666
2071929.8666666665
3465.9263
2229620.74539375
306.639
12.55
12.55
0
3
156702.04944333335
0.0
156702.04944333335
0.0
92.34255
134192.47333333336
178394.3313333333
227654.8633333333
243176.23666666663
0.0
146908.171353125
628.2613
12.15
12.15
0
8
280337.00450199994
0.0
280337.00450199994
0.0
2861.0124233333336
0.0
78.8094
103.59502
1398641.6056666663
0.0
262815.941720625
610.1906
23.09
23.09
0
11
1268558.37
0.0
1268558.37
0.0
193028.14666666664
600681.5
38951.87
5510130.333333333
0.0
0.0
1189273.471875
782.5705
19.97
19.97
0
4
PC(18:2/18:2); [M+H]+ C44H81N1O8P1
nan
nan
393234.07904
6775.252
393234.07904
6775.252
1360369.1706666667
64085.8302
105272.17766666668
114219.81666666668
322223.4
6775.252
369080.40235
924.2713
22.03
22.03
0
11
17131.2714
23063.896
17131.2714
23063.896
23008.32933333333
18427.087
18109.417666666664
14354.784
11756.739
23063.896
17502.0604375
311.1579
10.68
10.68
0
9
231534.60656666665
924.25287
231534.60656666665
924.25287
1686.7111666666667
121317.39833333332
211589.67
329711.39666666667
493367.8566666667
924.25287
217121.45946062505
297.2412
16.06
16.06
0
2
33008.291600000004
39189.93
33008.291600000004
39189.93
23847.629666666664
36573.952333333335
74748.74266666667
17890.3
11980.833333333334
39189.93
33394.644
922.013
13.44
13.44
0
5
240214.4937733333
4109.7734
240214.4937733333
4109.7734
1379.8722
123033.19333333334
215040.68333333332
355433.6666666667
506185.0533333333
4109.7734
225457.94875
279.2297
16.07
16.07
0
2
233144.69588666668
0.0
233144.69588666668
0.0
1164212.358466667
401.9227333333333
1109.1982333333333
0.0
0.0
0.0
218573.15239375
764.5385
20.1
20.1
0
2
937581.5463333334
132793.64
937581.5463333334
132793.64
241953.09666666665
467846.79
1116030.0799999998
696925.515
2165152.25
132793.64
887282.3021874999
780.5536
24.02
24.02
0
7
PC(18:2/18:3); [M+H]+ C44H79N1O8P1
nan
nan
32872.03886666667
42329.81
32872.03886666667
42329.81
39114.46966666667
32853.33866666667
30997.131666666668
32087.89466666667
29307.359666666667
42329.81
33463.149562499995
325.171
10.82
10.82
0
9
45927.85866666666
0.0
45927.85866666666
0.0
117973.38666666666
0.0
0.0
111665.90666666666
0.0
0.0
43057.36749999999
583.3271
15.09
15.09
0
1
318822.9866666666
176883.92
318822.9866666666
176883.92
207405.14
284157.29
349680.69999999995
403129.12666666665
349742.6766666667
176883.92
309951.795
502.2949
17.23
17.23
0
2
73381.68446666667
111031.67
73381.68446666667
111031.67
105147.01333333337
84419.65499999998
66839.65533333334
62933.37899999999
47568.71966666666
111031.67
75734.8085625
310.1429
12.28
12.28
0
3
30095.45586666667
35168.848
30095.45586666667
35168.848
35197.471
30335.644
29505.283666666663
30295.660666666667
25143.22
35168.848
30412.542875
276.1596
7.12
7.12
0
2
19626.743666666665
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-1
6565.782406666667
212.53297
6565.782406666667
212.53297
0.0
4249.044
6526.165033333334
9335.897333333332
12717.805666666667
212.53297
6168.704316875001
199.167
17.58
17.58
0
-1
28384.526066666665
37697.152
28384.526066666665
37697.152
36979.08666666667
29493.625
26228.88133333333
26356.461
22864.57633333333
37697.152
28966.5651875
288.2904
14.43
14.43
0
-1
-21.984
-21
0.9982
0
4047
3824
4
Cosine
0.9982
0.0
0
0.9988
0
4047
3785
4
Cosine
0.9988
-1.004
-1
0.9978
0
4047
6391
4
Cosine
0.9978
-0.001
0
0.9998
0
4047
6407
4
Cosine
0.9998
21.984
21
0.998
0
4047
4078
4
Cosine
0.998
1.004
1
0.9987
0
4047
3855
4
Cosine
0.9987
-23.999
-23
0.9977
0
4047
3761
4
Cosine
0.9977
23.998
23
0.9979
0
4047
4106
4
Cosine
0.9979
23.999
23
0.9981
0
4047
6387
4
Cosine
0.9981
-23.999
-23
0.998
0
4047
4011
4
Cosine
0.998
2.014
2
0.9791
0
3981
2717
15
Cosine
0.9791
21.984
21
0.9163
0
3981
3118
15
Cosine
0.9163
-2.016
-2
0.9277
0
3981
3136
15
Cosine
0.9277
21.985
21
0.9595
0
3981
3253
15
Cosine
0.9595
-2.015
-2
0.9695
0
3981
3288
15
Cosine
0.9695
-26.016
-26
0.9777
0
3981
3697
15
Cosine
0.9777
-0.0
0
0.9219
0
3981
3729
15
Cosine
0.9219
0.0
0
0.0
0
3981
3984
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9841
3.0
0.0
0
0.0
0
3981
3983
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9685
3.0
-4.029
-4
0.7898
0
4455
4266
2
Cosine
0.7898
28.031
28
0.7685
0
4455
4771
2
Cosine
0.7685
28.032
28
0.8736
0
4455
5111
2
Cosine
0.8736
-24.0
-24
0.839
0
4455
6118
2
Cosine
0.839
-4.027
-4
0.8536
0
4455
4338
2
Cosine
0.8536
0.002
0
0.8692
0
4455
4244
2
Cosine
0.8692
-4.018
-4
0.8288
0
4455
4143
2
Cosine
0.8288
-0.0
0
0.8268
0
4455
4515
2
Cosine
0.8268
-0.0
0
0.8888
0
4455
6346
2
Cosine
0.8888
-26.018
-26
0.7738
0
4263
5768
2
Cosine
0.7738
-24.003
-24
0.7142
0
4263
4771
2
Cosine
0.7142
-28.034
-28
0.8898
0
4263
4564
2
Cosine
0.8898
-28.034
-28
0.9625
0
4263
4772
2
Cosine
0.9625
-0.002
0
0.8841
0
4263
4159
2
Cosine
0.8841
-0.001
0
0.8722
0
4263
4485
2
Cosine
0.8722
-28.034
-28
0.8725
0
4263
4509
2
Cosine
0.8725
106.914
106
0.5845
0
1603
3667
2
Cosine
0.5845
-21.983
-21
0.5909
0
1603
1268
2
Cosine
0.5909
76.94
76
0.6604
0
1603
2567
2
Cosine
0.6604
-173.065
-173
0.6824
0
2913
1360
2
Cosine
0.6824
-238.234
-238
0.7903
0
2913
4338
2
Cosine
0.7903
-187.039
-187
0.69
0
2913
2838
2
Cosine
0.69
24.0
24
0.847
0
2913
3041
2
Cosine
0.847
-111.993
-111
0.8354
0
2913
2092
2
Cosine
0.8354
-185.193
-185
0.6396
0
2913
1449
2
Cosine
0.6396
24.001
24
0.9414
0
2913
2935
2
Cosine
0.9414
0.0
0
0.8731
0
2913
3008
2
Cosine
0.8731
0.0
0
0.0
0
2913
2911
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9854
2.0
-80.042
-80
0.5263
0
1204
1646
3
Cosine
0.5263
-66.023
-66
0.5925
0
1204
1408
3
Cosine
0.5925
27.012
27
0.9937
0
4020
4104
10
Cosine
0.9937
15.995
15
0.5501
0
1060
1647
8
Cosine
0.5501
-74.018
-74
0.9758
0
5941
5309
11
Cosine
0.9758
0.0
0
0.9973
0
5941
4775
11
Cosine
0.9973
-74.018
-74
0.9645
0
5941
5095
11
Cosine
0.9645
-148.037
-148
0.9113
0
5941
4936
11
Cosine
0.9113
-148.036
-148
0.9133
0
5941
5108
11
Cosine
0.9133
74.019
74
0.9934
0
5941
4805
11
Cosine
0.9934
-74.018
-74
0.9765
0
5941
5619
11
Cosine
0.9765
74.019
74
0.9931
0
5941
5896
11
Cosine
0.9931
-0.0
0
0.9988
0
5941
6193
11
Cosine
0.9988
148.035
148
0.8996
0
5941
6261
11
Cosine
0.8996
0.0
0
0.0
0
5941
5909
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0373
3.0
0.0
0
0.0
0
5941
5926
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9300
3.0
-2.016
-2
0.9993
0
3824
3761
4
Cosine
0.9993
-22.988
-22
0.997
0
3824
3855
4
Cosine
0.997
2.016
2
0.9987
0
3824
3866
4
Cosine
0.9987
26.013
26
0.9978
0
3824
3884
4
Cosine
0.9978
2.015
2
0.9988
0
3824
4011
4
Cosine
0.9988
28.031
28
0.997
0
3824
4041
4
Cosine
0.997
0.0
0
0.9997
0
3824
4078
4
Cosine
0.9997
2.015
2
0.9987
0
3824
4106
4
Cosine
0.9987
2.016
2
0.9995
0
3824
6387
4
Cosine
0.9995
-21.985
-21
0.9978
0
3824
6407
4
Cosine
0.9978
-350.225
-350
0.8084
0
2092
4266
2
Cosine
0.8084
-350.227
-350
0.7791
0
2092
4338
2
Cosine
0.7791
-18.01
-18
0.7443
0
2092
2093
2
Cosine
0.7443
-87.993
-87
0.8354
0
2092
3041
2
Cosine
0.8354
-17.939
-17
0.7343
0
2092
2595
2
Cosine
0.7343
-87.992
-87
0.8604
0
2092
2935
2
Cosine
0.8604
-111.993
-111
0.731
0
2092
3008
2
Cosine
0.731
-350.237
-350
0.7784
0
2092
4143
2
Cosine
0.7784
0.0
0
0.0
0
2092
2095
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9783
4.0
0.0
0
0.0
0
2092
2094
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0035
4.0
-80.037
-80
0.5608
0
1205
1647
8
Cosine
0.5608
15.996
15
0.5398
0
1205
1140
8
Cosine
0.5398
-66.027
-66
0.6357
0
1205
1413
8
Cosine
0.6357
287.136
287
0.6497
0
1394
955
2
Cosine
0.6497
293.257
293
0.5589
0
1394
995
2
Cosine
0.5589
-36.114
-36
0.5113
0
1394
2567
2
Cosine
0.5113
-0.001
0
0.9711
0
16
993
5
Cosine
0.9711
-0.0
0
0.9662
0
16
909
5
Cosine
0.9662
-0.0
0
0.9584
0
16
883
5
Cosine
0.9584
-0.001
0
0.9633
0
16
964
5
Cosine
0.9633
-0.001
0
0.9592
0
16
975
5
Cosine
0.9592
-0.002
0
0.9638
0
16
1184
5
Cosine
0.9638
-0.002
0
0.9658
0
16
1821
5
Cosine
0.9658
-0.002
0
0.9595
0
16
1869
5
Cosine
0.9595
-0.0
0
0.9972
0
5619
5309
11
Cosine
0.9972
74.018
74
0.9904
0
5619
4775
11
Cosine
0.9904
0.0
0
0.9669
0
5619
5095
11
Cosine
0.9669
-148.035
-148
0.8635
0
5619
4653
11
Cosine
0.8635
-74.018
-74
0.8572
0
5619
5108
11
Cosine
0.8572
-74.018
-74
0.9764
0
5619
6193
11
Cosine
0.9764
148.037
148
0.9723
0
5619
4805
11
Cosine
0.9723
-148.037
-148
0.971
0
5619
5896
11
Cosine
0.971
0.0
0
0.0
0
5619
5586
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0355
3.0
0.0
0
0.0
0
5619
5589
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9302
3.0
12.128
12
0.8203
0
1449
1360
2
Cosine
0.8203
61.872
61
0.6611
0
1449
2628
2
Cosine
0.6611
13.764
13
0.6
0
1449
3923
2
Cosine
0.6
1.846
1
0.7645
0
1449
2838
2
Cosine
0.7645
14.145
14
0.6943
0
1449
1268
2
Cosine
0.6943
32.103
32
0.5772
0
1449
1411
2
Cosine
0.5772
34.115
34
0.5885
0
1449
1424
2
Cosine
0.5885
-185.193
-185
0.7542
0
1449
3008
2
Cosine
0.7542
0.0
0
0.0
0
1449
1454
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9560
4.0
0.0
0
0.0
0
1449
1450
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9305
4.0
0.0
0
0.0
0
1449
1453
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9735
4.0
-0.001
0
0.9351
0
3136
3288
15
Cosine
0.9351
4.03
4
0.9328
0
3136
2717
15
Cosine
0.9328
24.0
24
0.9879
0
3136
3118
15
Cosine
0.9879
-24.001
-24
0.9127
0
3136
3253
15
Cosine
0.9127
24.0
24
0.9312
0
3136
3697
15
Cosine
0.9312
-2.016
-2
0.9912
0
3136
3729
15
Cosine
0.9912
0.0
0
0.0
0
3136
3116
-1
MS1 annotation
[M-H2O+H]+ [M-H+2Na]+ dm/z=61.9628
2.0
0.0
0
0.0
0
3136
3140
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9573
3.0
0.0
0
0.0
0
3136
3139
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9857
3.0
-148.034
-148
0.8818
0
5309
4653
11
Cosine
0.8818
74.019
74
0.9771
0
5309
4775
11
Cosine
0.9771
148.038
148
0.9709
0
5309
4805
11
Cosine
0.9709
0.0
0
0.9678
0
5309
5095
11
Cosine
0.9678
-148.038
-148
0.9696
0
5309
5896
11
Cosine
0.9696
-74.018
-74
0.9756
0
5309
6193
11
Cosine
0.9756
74.017
74
0.8573
0
5309
6261
11
Cosine
0.8573
0.0
0
0.0
0
5309
5259
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9314
4.0
0.0
0
0.0
0
5309
5294
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0395
4.0
-74.016
-74
0.7383
0
6202
6270
11
Cosine
0.7383
74.018
74
0.7324
0
6202
5430
11
Cosine
0.7324
92.026
92
0.7842
0
6202
4413
11
Cosine
0.7842
-0.001
0
0.9845
0
6202
6267
11
Cosine
0.9845
74.016
74
0.7427
0
6202
4591
11
Cosine
0.7427
74.017
74
0.7387
0
6202
4712
11
Cosine
0.7387
0.001
0
0.9828
0
6202
6010
11
Cosine
0.9828
0.0
0
0.9972
0
6193
4775
11
Cosine
0.9972
-74.018
-74
0.9623
0
6193
5095
11
Cosine
0.9623
-148.037
-148
0.9093
0
6193
4936
11
Cosine
0.9093
-148.036
-148
0.911
0
6193
5108
11
Cosine
0.911
74.019
74
0.993
0
6193
4805
11
Cosine
0.993
74.019
74
0.9932
0
6193
5896
11
Cosine
0.9932
148.035
148
0.8974
0
6193
6261
11
Cosine
0.8974
0.0
0
0.0
0
6193
6218
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+NH4]+ dm/z=35.0343
2.0
0.0
0
0.9986
0
3761
3866
4
Cosine
0.9986
-24.0
-24
0.9976
0
3761
6407
4
Cosine
0.9976
-2.016
-2
0.9993
0
3761
4078
4
Cosine
0.9993
23.997
23
0.9977
0
3761
3884
4
Cosine
0.9977
-0.0
0
0.9985
0
3761
4011
4
Cosine
0.9985
26.015
26
0.9983
0
3761
4041
4
Cosine
0.9983
-0.001
0
0.9984
0
3761
4106
4
Cosine
0.9984
0.0
0
0.9993
0
3761
6387
4
Cosine
0.9993
23.999
23
0.9356
0
3118
3288
15
Cosine
0.9356
-19.97
-19
0.9244
0
3118
2717
15
Cosine
0.9244
-0.001
0
0.9211
0
3118
3253
15
Cosine
0.9211
48.0
48
0.923
0
3118
3697
15
Cosine
0.923
21.984
21
0.9866
0
3118
3729
15
Cosine
0.9866
0.0
0
0.0
0
3118
3116
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9625
3.0
0.0
0
0.0
0
3118
3120
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9843
3.0
-2.016
-2
0.9989
0
4078
3866
4
Cosine
0.9989
-21.985
-21
0.9977
0
4078
6407
4
Cosine
0.9977
-26.013
-26
0.998
0
4078
3884
4
Cosine
0.998
-2.015
-2
0.9989
0
4078
4011
4
Cosine
0.9989
-28.031
-28
0.9976
0
4078
4041
4
Cosine
0.9976
2.015
2
0.9989
0
4078
4106
4
Cosine
0.9989
2.016
2
0.9996
0
4078
6387
4
Cosine
0.9996
24.002
24
0.7325
0
4771
4266
2
Cosine
0.7325
24.014
24
0.7519
0
4771
4143
2
Cosine
0.7519
28.034
28
0.7462
0
4771
4244
2
Cosine
0.7462
24.004
24
0.7302
0
4771
4338
2
Cosine
0.7302
-24.002
-24
0.776
0
4771
4485
2
Cosine
0.776
28.031
28
0.7887
0
4771
4515
2
Cosine
0.7887
0.001
0
0.852
0
4771
5111
2
Cosine
0.852
-28.031
-28
0.8581
0
4771
6346
2
Cosine
0.8581
-14.019
-14
0.8189
0
1408
1646
3
Cosine
0.8189
-59.968
-59
0.6138
0
1408
1579
3
Cosine
0.6138
30.01
30
0.5869
0
1408
1063
3
Cosine
0.5869
-12.0
-12
0.543
0
1408
1500
3
Cosine
0.543
19.968
19
0.9954
0
6406
3785
4
Cosine
0.9954
20.972
20
0.9955
0
6406
6391
4
Cosine
0.9955
-0.002
0
0.7552
0
2250
2398
1
Cosine
0.7552
-0.002
0
0.7752
0
2250
2428
1
Cosine
0.7752
-0.002
0
0.7553
0
2250
2305
1
Cosine
0.7553
2.016
2
0.9265
0
4564
5768
2
Cosine
0.9265
-48.001
-48
0.7736
0
4564
6118
2
Cosine
0.7736
-28.036
-28
0.8936
0
4564
4159
2
Cosine
0.8936
24.002
24
0.7614
0
4564
4244
2
Cosine
0.7614
-28.033
-28
0.7805
0
4564
4485
2
Cosine
0.7805
-0.0
0
0.9109
0
4564
4509
2
Cosine
0.9109
24.0
24
0.8266
0
4564
4515
2
Cosine
0.8266
0.0
0
0.9128
0
4564
4772
2
Cosine
0.9128
-14.01
-14
0.8704
0
1413
1647
8
Cosine
0.8704
30.006
30
0.6058
0
1413
1291
8
Cosine
0.6058
11.996
11
0.5299
0
1413
1230
8
Cosine
0.5299
-74.02
-74
0.8865
0
4653
4413
11
Cosine
0.8865
-148.035
-148
0.9134
0
4653
5095
11
Cosine
0.9134
-74.016
-74
0.9639
0
4653
4936
11
Cosine
0.9639
-74.017
-74
0.9509
0
4653
5108
11
Cosine
0.9509
-74.017
-74
0.9464
0
4653
6261
11
Cosine
0.9464
0.0
0
0.0
0
4653
4648
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9263
3.0
148.037
148
0.9089
0
4936
4775
11
Cosine
0.9089
-148.036
-148
0.8634
0
4936
4413
11
Cosine
0.8634
-74.019
-74
0.8731
0
4936
5095
11
Cosine
0.8731
222.056
222
0.8826
0
4936
4805
11
Cosine
0.8826
-0.001
0
0.9967
0
4936
5108
11
Cosine
0.9967
-222.056
-222
0.881
0
4936
5896
11
Cosine
0.881
-0.002
0
0.9905
0
4936
6261
11
Cosine
0.9905
0.0
0
0.0
0
4936
4920
-1
MS1 annotation
[2M-H2O+NH4]+ [M+H]+ dm/z=387.1201
2.0
0.0
0
0.0
0
4936
4937
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9293
3.0
0.0
0
0.0
0
4936
4938
-1
MS1 annotation
[M-H2O+H]+ [M+NH4]+ dm/z=35.0359
3.0
0.001
0
0.9932
0
3905
4104
10
Cosine
0.9932
-0.001
0
0.9991
0
6407
3785
4
Cosine
0.9991
1.003
1
0.9973
0
6407
6391
4
Cosine
0.9973
1.003
1
0.9983
0
6407
3855
4
Cosine
0.9983
-24.0
-24
0.9977
0
6407
4011
4
Cosine
0.9977
-23.999
-23
0.9975
0
6407
4106
4
Cosine
0.9975
-24.0
-24
0.9977
0
6407
6387
4
Cosine
0.9977
-0.0
0
0.966
0
39
50
5
Cosine
0.966
-0.002
0
0.9573
0
39
1869
5
Cosine
0.9573
-0.0
0
0.957
0
39
883
5
Cosine
0.957
-0.001
0
0.9632
0
39
964
5
Cosine
0.9632
-0.002
0
0.9575
0
39
1821
5
Cosine
0.9575
-0.001
0
0.9622
0
39
975
5
Cosine
0.9622
-2.927
-2
0.8527
0
575
462
13
Cosine
0.8527
0.0
0
0.0
0
575
577
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9728
2.0
0.001
0
0.9938
0
6409
3871
20
Cosine
0.9938
24.003
24
0.8769
0
5111
4266
2
Cosine
0.8769
-308.283
-308
0.6983
0
5111
2595
2
Cosine
0.6983
24.015
24
0.8776
0
5111
4143
2
Cosine
0.8776
28.034
28
0.8069
0
5111
4244
2
Cosine
0.8069
24.005
24
0.8738
0
5111
4338
2
Cosine
0.8738
-24.001
-24
0.6968
0
5111
4485
2
Cosine
0.6968
28.032
28
0.8775
0
5111
4515
2
Cosine
0.8775
-28.032
-28
0.8793
0
5111
6346
2
Cosine
0.8793
0.001
0
0.9947
0
4712
6270
11
Cosine
0.9947
-0.001
0
0.9903
0
4712
5430
11
Cosine
0.9903
74.016
74
0.7421
0
4712
6267
11
Cosine
0.7421
-0.001
0
0.9929
0
4712
4591
11
Cosine
0.9929
74.016
74
0.7627
0
4712
6010
11
Cosine
0.7627
36.021
36
0.5422
0
1254
1256
2
Cosine
0.5422
0.0
0
0.0
0
1254
1268
2
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9830
5.0
0.0
0
0.0
0
1254
1258
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9550
5.0
-0.001
0
0.959
0
1821
909
5
Cosine
0.959
-0.0
0
0.958
0
1821
1869
5
Cosine
0.958
-0.0
0
0.9645
0
1821
1383
5
Cosine
0.9645
-0.0
0
0.9544
0
1821
1079
5
Cosine
0.9544
-0.0
0
0.9706
0
1821
1184
5
Cosine
0.9706
-173.065
-173
0.8133
0
3008
1360
2
Cosine
0.8133
-187.039
-187
0.8086
0
3008
2838
2
Cosine
0.8086
24.0
24
0.7703
0
3008
3041
2
Cosine
0.7703
-24.001
-24
0.8519
0
3008
2935
2
Cosine
0.8519
-171.048
-171
0.6517
0
3008
1268
2
Cosine
0.6517
0.0
0
0.0
0
3008
3018
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9622
4.0
0.0
0
0.0
0
3008
3009
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9850
4.0
-0.001
0
0.9855
0
993
50
5
Cosine
0.9855
-0.001
0
0.9782
0
993
909
5
Cosine
0.9782
-0.001
0
0.969
0
993
958
5
Cosine
0.969
-0.001
0
0.9764
0
993
964
5
Cosine
0.9764
-0.0
0
0.9711
0
993
975
5
Cosine
0.9711
-0.0
0
0.9679
0
993
1079
5
Cosine
0.9679
-0.0
0
0.9712
0
993
1184
5
Cosine
0.9712
-0.0
0
0.9755
0
993
1383
5
Cosine
0.9755
-0.0
0
0.9751
0
993
1869
5
Cosine
0.9751
0.0
0
0.9906
0
4404
3775
10
Cosine
0.9906
0.003
0
0.991
0
4404
3378
10
Cosine
0.991
-0.002
0
0.9915
0
4404
4178
10
Cosine
0.9915
0.003
0
0.9911
0
4404
3044
10
Cosine
0.9911
0.0
0
0.852
0
462
148
13
Cosine
0.852
31.972
31
0.6759
0
1685
2093
2
Cosine
0.6759
0.0
0
0.0
0
1685
1675
-1
MS1 annotation
[M-2H2O+H]+ [M+K]+ dm/z=73.9872
5.0
0.0
0
0.0
0
1685
1684
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0069
5.0
0.0
0
0.0
0
1685
1693
-1
MS1 annotation
[M+NH4]+ [M-2H2O+H]+ dm/z=53.0435
5.0
24.001
24
0.989
0
3697
3288
15
Cosine
0.989
28.03
28
0.9967
0
3697
2717
15
Cosine
0.9967
48.001
48
0.972
0
3697
3253
15
Cosine
0.972
-26.016
-26
0.928
0
3697
3729
15
Cosine
0.928
0.0
0
0.0
0
3697
3700
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9596
4.0
0.0
0
0.0
0
3697
3698
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9833
4.0
0.0
0
0.9948
0
6270
4591
11
Cosine
0.9948
0.002
0
0.9933
0
6270
5430
11
Cosine
0.9933
-74.015
-74
0.7649
0
6270
6010
11
Cosine
0.7649
-74.015
-74
0.745
0
6270
6267
11
Cosine
0.745
45.948
45
0.6183
0
1579
1646
3
Cosine
0.6183
-348.076
-348
0.5304
0
1579
1543
3
Cosine
0.5304
52.94
52
0.6133
0
2567
1360
2
Cosine
0.6133
54.957
54
0.7251
0
2567
1268
2
Cosine
0.7251
0.0
0
0.0
0
2567
2560
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0081
2.0
-0.001
0
0.9485
0
1953
958
5
Cosine
0.9485
-74.019
-74
0.9923
0
4805
4775
11
Cosine
0.9923
148.037
148
0.9449
0
4805
5095
11
Cosine
0.9449
222.055
222
0.8854
0
4805
5108
11
Cosine
0.8854
0.0
0
0.9975
0
4805
5896
11
Cosine
0.9975
222.055
222
0.872
0
4805
6261
11
Cosine
0.872
-0.0
0
0.9651
0
50
883
5
Cosine
0.9651
-0.0
0
0.9688
0
50
909
5
Cosine
0.9688
-0.001
0
0.9744
0
50
964
5
Cosine
0.9744
-0.001
0
0.9677
0
50
975
5
Cosine
0.9677
-0.002
0
0.9722
0
50
1079
5
Cosine
0.9722
-0.002
0
0.9762
0
50
1184
5
Cosine
0.9762
-0.002
0
0.9734
0
50
1383
5
Cosine
0.9734
-0.002
0
0.9702
0
50
1869
5
Cosine
0.9702
-2.02
-2
0.5489
0
1500
1646
3
Cosine
0.5489
20.026
20
0.5003
0
1500
1224
3
Cosine
0.5003
295.618
295
0.8608
0
1500
1501
3
Cosine
0.8608
-0.001
0
0.9688
0
1184
909
5
Cosine
0.9688
-0.0
0
0.9635
0
1184
1869
5
Cosine
0.9635
0.0
0
0.9752
0
1184
1383
5
Cosine
0.9752
-0.001
0
0.9703
0
1184
964
5
Cosine
0.9703
-0.0
0
0.9617
0
1184
975
5
Cosine
0.9617
0.0
0
0.9664
0
1184
1079
5
Cosine
0.9664
0.0
0
0.9732
0
909
883
5
Cosine
0.9732
-0.001
0
0.9809
0
909
964
5
Cosine
0.9809
-0.001
0
0.9719
0
909
975
5
Cosine
0.9719
-0.001
0
0.9658
0
909
1383
5
Cosine
0.9658
-0.002
0
0.9673
0
909
1869
5
Cosine
0.9673
24.0
24
0.9842
0
3253
3288
15
Cosine
0.9842
-19.971
-19
0.9738
0
3253
2717
15
Cosine
0.9738
21.985
21
0.9152
0
3253
3729
15
Cosine
0.9152
0.0
0
0.0
0
3253
3242
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9673
3.0
0.0
0
0.0
0
3253
3263
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9844
3.0
-0.002
0
0.7014
0
2170
2428
1
Cosine
0.7014
-0.001
0
0.9649
0
964
1869
5
Cosine
0.9649
-0.001
0
0.9678
0
964
1383
5
Cosine
0.9678
-0.0
0
0.9698
0
964
883
5
Cosine
0.9698
-0.0
0
0.9715
0
964
975
5
Cosine
0.9715
-28.03
-28
0.6256
0
2672
2416
16
Cosine
0.6256
28.03
28
0.993
0
5014
4980
7
Cosine
0.993
-28.03
-28
0.9851
0
5014
5713
7
Cosine
0.9851
0.001
0
0.9916
0
5014
6165
7
Cosine
0.9916
-28.03
-28
0.9904
0
5014
6143
7
Cosine
0.9904
74.018
74
0.9608
0
5095
4775
11
Cosine
0.9608
-148.037
-148
0.945
0
5095
5896
11
Cosine
0.945
74.017
74
0.8715
0
5095
6261
11
Cosine
0.8715
0.0
0
0.0
0
5095
5156
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+NH4]+ dm/z=35.0370
2.0
-2.017
-2
0.9922
0
3963
4980
7
Cosine
0.9922
18.01
18
0.6127
0
1647
1228
8
Cosine
0.6127
15.995
15
0.6578
0
1647
1291
8
Cosine
0.6578
0.0
0
0.0
0
1647
1655
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9808
3.0
0.0
0
0.0
0
1647
1667
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9568
3.0
315.643
315
0.5164
0
1224
1501
3
Cosine
0.5164
44.026
44
0.5304
0
1609
2224
16
Cosine
0.5304
15.994
15
0.5712
0
1609
2416
16
Cosine
0.5712
-28.033
-28
0.8236
0
4485
4772
2
Cosine
0.8236
-0.002
0
0.8241
0
4485
4159
2
Cosine
0.8241
-28.033
-28
0.7441
0
4485
4509
2
Cosine
0.7441
-297.637
-297
0.6009
0
1501
1646
3
Cosine
0.6009
0.0
0
0.0
0
1501
1492
-1
MS1 annotation
[M-2H2O+NH4]+ [2M+H]+ dm/z=351.5846
2.0
0.0
0
0.0
0
1501
1505
-1
MS1 annotation
[2M+Na]+ [M+H]+ dm/z=335.6091
3.0
-0.002
0
0.992
0
4591
5430
11
Cosine
0.992
74.015
74
0.7487
0
4591
6267
11
Cosine
0.7487
74.016
74
0.7693
0
4591
6010
11
Cosine
0.7693
-1.004
-1
0.9966
0
6391
3785
4
Cosine
0.9966
-0.0
0
0.9989
0
6391
3855
4
Cosine
0.9989
-2.015
-2
0.9384
0
3729
3288
15
Cosine
0.9384
2.014
2
0.9297
0
3729
2717
15
Cosine
0.9297
0.0
0
0.0
0
3729
3730
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9838
4.0
0.0
0
0.0
0
3729
3731
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9589
4.0
-0.0
0
0.9476
0
5732
6125
18
Cosine
0.9476
74.017
74
0.7299
0
6267
5430
11
Cosine
0.7299
92.025
92
0.7976
0
6267
4413
11
Cosine
0.7976
-0.0
0
0.9749
0
6267
6010
11
Cosine
0.9749
0.0
0
0.0
0
6267
6289
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9233
2.0
278.201
278
0.5909
0
995
1236
2
Cosine
0.5909
26.015
26
0.9979
0
4041
3866
4
Cosine
0.9979
2.018
2
0.9983
0
4041
3884
4
Cosine
0.9983
-26.016
-26
0.9975
0
4041
4106
4
Cosine
0.9975
-26.015
-26
0.9979
0
4041
6387
4
Cosine
0.9979
26.016
26
0.9973
0
4041
4011
4
Cosine
0.9973
0.001
0
0.999
0
4041
4110
4
Cosine
0.999
4.029
4
0.9908
0
2717
3288
15
Cosine
0.9908
0.0
0
0.0
0
2717
2715
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9587
4.0
0.0
0
0.0
0
2717
2716
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9825
4.0
0.003
0
0.9961
0
3044
3775
10
Cosine
0.9961
0.001
0
0.9959
0
3044
3378
10
Cosine
0.9959
0.006
0
0.995
0
3044
4178
10
Cosine
0.995
0.0
0
0.0
0
3288
3286
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9575
3.0
0.0
0
0.0
0
3288
3290
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9864
3.0
-262.233
-262
0.7134
0
2935
4266
2
Cosine
0.7134
-69.982
-69
0.6474
0
2935
2093
2
Cosine
0.6474
-0.0
0
0.8216
0
2935
3041
2
Cosine
0.8216
-70.054
-70
0.7337
0
2935
2595
2
Cosine
0.7337
0.0
0
0.0
0
2935
2934
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9827
2.0
26.016
26
0.9971
0
4110
3866
4
Cosine
0.9971
2.019
2
0.9984
0
4110
3884
4
Cosine
0.9984
-0.001
0
0.9587
0
975
1869
5
Cosine
0.9587
-0.0
0
0.9647
0
975
1383
5
Cosine
0.9647
-0.001
0
0.9647
0
975
883
5
Cosine
0.9647
-0.0
0
0.9631
0
1383
1869
5
Cosine
0.9631
-0.001
0
0.9622
0
1383
958
5
Cosine
0.9622
0.0
0
0.9679
0
1383
1079
5
Cosine
0.9679
-28.989
-28
0.9928
0
4104
3378
10
Cosine
0.9928
-26.02
-26
0.8351
0
5768
4159
2
Cosine
0.8351
26.018
26
0.7608
0
5768
4244
2
Cosine
0.7608
2.016
2
0.9341
0
5768
4509
2
Cosine
0.9341
2.016
2
0.8967
0
5768
4772
2
Cosine
0.8967
0.003
0
0.9948
0
4178
3775
10
Cosine
0.9948
0.005
0
0.9957
0
4178
3378
10
Cosine
0.9957
-0.0
0
0.7651
0
2428
2398
1
Cosine
0.7651
0.0
0
0.7573
0
2428
2305
1
Cosine
0.7573
0.0
0
0.0
0
2428
2448
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9933
2.0
-148.037
-148
0.863
0
4413
5108
11
Cosine
0.863
92.025
92
0.782
0
4413
6010
11
Cosine
0.782
0.0
0
0.0
0
4413
4400
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9585
6.0
0.0
0
0.0
0
4413
4402
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9286
6.0
0.0
0
0.0
0
2602
2595
2
MS1 annotation
[M+H]+ [M+NH4]+ dm/z=17.0280
4.0
0.0
0
0.0
0
2602
2592
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9575
4.0
0.0
0
0.0
0
2602
2600
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9838
4.0
0.0
0
0.9929
0
6143
4980
7
Cosine
0.9929
0.0
0
0.9869
0
6143
5713
7
Cosine
0.9869
28.031
28
0.9867
0
6143
6165
7
Cosine
0.9867
-28.036
-28
0.8909
0
4159
4772
2
Cosine
0.8909
-28.036
-28
0.9423
0
4159
4509
2
Cosine
0.9423
-21.984
-21
0.6675
0
1360
1144
2
Cosine
0.6675
2.017
2
0.746
0
1360
1268
2
Cosine
0.746
-19.975
-19
0.5614
0
1360
1411
2
Cosine
0.5614
55.989
55
0.6102
0
1360
2625
2
Cosine
0.6102
74.0
74
0.7085
0
1360
2628
2
Cosine
0.7085
13.974
13
0.8757
0
1360
2838
2
Cosine
0.8757
0.0
0
0.0
0
1360
1362
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9751
5.0
0.0
0
0.0
0
1360
1370
17
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9853
5.0
0.0
0
0.0
0
1360
1365
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0065
5.0
0.0
0
0.0
0
1360
1368
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=39.9960
5.0
-4.029
-4
0.7501
0
4515
4266
2
Cosine
0.7501
-24.0
-24
0.9317
0
4515
6118
2
Cosine
0.9317
24.0
24
0.8313
0
4515
4772
2
Cosine
0.8313
0.002
0
0.9051
0
4515
4244
2
Cosine
0.9051
-4.018
-4
0.7952
0
4515
4143
2
Cosine
0.7952
0.0
0
0.8276
0
4515
6346
2
Cosine
0.8276
-28.029
-28
0.8074
0
6118
4266
2
Cosine
0.8074
-28.018
-28
0.8334
0
6118
4143
2
Cosine
0.8334
-23.998
-23
0.8667
0
6118
4244
2
Cosine
0.8667
-28.028
-28
0.846
0
6118
4338
2
Cosine
0.846
-48.001
-48
0.7335
0
6118
4772
2
Cosine
0.7335
24.0
24
0.7824
0
6118
6346
2
Cosine
0.7824
24.003
24
0.7574
0
4244
4772
2
Cosine
0.7574
0.002
0
0.8043
0
4244
6346
2
Cosine
0.8043
15.991
15
0.7335
0
2838
1268
2
Cosine
0.7335
0.0
0
0.0
0
2838
2832
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9551
5.0
28.031
28
0.9873
0
5713
5772
7
Cosine
0.9873
0.0
0
0.9908
0
5713
4980
7
Cosine
0.9908
28.031
28
0.993
0
5713
6165
7
Cosine
0.993
-0.0
0
0.9985
0
4011
3866
4
Cosine
0.9985
-23.997
-23
0.998
0
4011
3884
4
Cosine
0.998
-0.001
0
0.999
0
4011
4106
4
Cosine
0.999
0.0
0
0.9991
0
4011
6387
4
Cosine
0.9991
-2.011
-2
0.6225
0
1424
1411
2
Cosine
0.6225
2.012
2
0.7015
0
1424
1345
2
Cosine
0.7015
30.01
30
0.6119
0
952
955
2
Cosine
0.6119
-1.004
-1
0.9972
0
3855
3785
4
Cosine
0.9972
74.017
74
0.7577
0
6010
5430
11
Cosine
0.7577
0.0
0
0.9059
0
4772
4509
2
Cosine
0.9059
-24.0
-24
0.7156
0
4772
6346
2
Cosine
0.7156
148.036
148
0.8992
0
6261
4775
11
Cosine
0.8992
-0.001
0
0.9826
0
6261
5108
11
Cosine
0.9826
222.055
222
0.8705
0
6261
5896
11
Cosine
0.8705
93.898
93
0.6686
0
2595
5890
2
Cosine
0.6686
0.072
0
0.6639
0
2595
2093
2
Cosine
0.6639
-70.054
-70
0.6381
0
2595
3041
2
Cosine
0.6381
0.0
0
0.0
0
2595
2592
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9295
4.0
0.0
0
0.0
0
2595
2600
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9558
4.0
-372.211
-372
0.7165
0
1375
1377
17
Cosine
0.7165
0.0
0
0.0
0
1375
1378
-1
MS1 annotation
[2M-2H2O+H]+ [M+K]+ dm/z=88.0854
2.0
23.997
23
0.9988
0
3866
3884
4
Cosine
0.9988
-0.001
0
0.9985
0
3866
4106
4
Cosine
0.9985
0.0
0
0.9992
0
3866
6387
4
Cosine
0.9992
52.017
52
0.6228
0
1144
2628
2
Cosine
0.6228
34.005
34
0.636
0
1144
2625
2
Cosine
0.636
0.0
0
0.0
0
1144
1141
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9841
4.0
0.011
0
0.9676
0
4266
4143
2
Cosine
0.9676
-0.002
0
0.8834
0
4266
4338
2
Cosine
0.8834
-4.029
-4
0.7738
0
4266
6346
2
Cosine
0.7738
0.0
0
0.0
0
1228
1231
-1
MS1 annotation
[M+H]+ [2M-H2O+NH4]+ dm/z=314.1304
2.0
-80.037
-80
0.5053
0
1140
1502
8
Cosine
0.5053
-4.027
-4
0.748
0
6346
4338
2
Cosine
0.748
-4.018
-4
0.8052
0
6346
4143
2
Cosine
0.8052
-0.001
0
0.9582
0
958
1079
5
Cosine
0.9582
-23.998
-23
0.9981
0
3884
4106
4
Cosine
0.9981
-23.997
-23
0.9987
0
3884
6387
4
Cosine
0.9987
0.0
0
0.9874
0
5772
6165
7
Cosine
0.9874
-28.032
-28
0.8694
0
2224
2416
16
Cosine
0.8694
0.003
0
0.996
0
3378
3775
10
Cosine
0.996
28.031
28
0.9917
0
4980
6165
7
Cosine
0.9917
0.001
0
0.9991
0
6387
4106
4
Cosine
0.9991
-242.013
-242
0.8686
0
1377
1370
17
Cosine
0.8686
0.0
0
0.0
0
1377
1374
-1
MS1 annotation
[2M-2H2O+K]+ [M+Na]+ dm/z=122.0519
2.0
8.914
8
0.6058
0
3667
2628
2
Cosine
0.6058
-69.983
-69
0.6127
0
2093
3041
2
Cosine
0.6127
0.0
0
0.0
0
2093
2095
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9679
4.0
0.0
0
0.0
0
2093
2094
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9931
4.0
148.036
148
0.9107
0
5108
4775
11
Cosine
0.9107
-222.055
-222
0.8841
0
5108
5896
11
Cosine
0.8841
0.0
0
0.0
0
5108
5135
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+NH4]+ dm/z=35.0366
3.0
0.0
0
0.0
0
5108
5137
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9281
3.0
-18.01
-18
0.5856
0
1230
1502
8
Cosine
0.5856
0.0
0
0.0
0
1268
1256
2
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0043
5.0
76.017
76
0.7777
0
1268
2628
2
Cosine
0.7777
21.984
21
0.785
0
1268
1530
2
Cosine
0.785
58.006
58
0.6717
0
1268
2625
2
Cosine
0.6717
0.0
0
0.0
0
1268
1257
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9947
5.0
0.0
0
0.0
0
1268
1258
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9720
5.0
-262.234
-262
0.7833
0
4338
3041
2
Cosine
0.7833
0.009
0
0.8829
0
4338
4143
2
Cosine
0.8829
0.0
0
0.0
0
5890
5874
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9797
3.0
0.0
0
0.0
0
5890
5902
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0300
2.0
0.0
0
0.7695
0
2398
2305
1
Cosine
0.7695
-74.019
-74
0.9909
0
5896
4775
11
Cosine
0.9909
0.0
0
0.0
0
5896
5858
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0375
2.0
0.0
0
0.0
0
5896
6001
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9996
2.0
0.0
0
0.0
0
1370
1362
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9604
5.0
18.013
18
0.6391
0
1256
2628
2
Cosine
0.6391
0.0
0
0.0
0
1256
1258
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9764
5.0
0.0
0
0.0
0
1646
1667
-1
MS1 annotation
[2M+H]+ [M-2H2O+NH4]+ dm/z=343.5837
2.0
0.0
0
0.0
0
1502
1492
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9566
3.0
0.0
0
0.0
0
1502
1505
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9811
3.0
-14.013
-14
0.8077
0
1151
1163
9
Cosine
0.8077
18.012
18
0.6866
0
2625
2628
2
Cosine
0.6866
0.0
0
0.0
0
2305
2294
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9687
4.0
0.0
0
0.0
0
2305
2300
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9904
4.0
0.0
0
0.0
0
3041
3037
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9610
3.0
0.0
0
0.0
0
3041
3040
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9831
3.0
0.0
0
0.0
0
1530
1532
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9547
4.0
0.0
0
0.0
0
1530
1531
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9837
4.0
0.0
0
0.0
0
1345
1281
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9788
3.0
0.0
0
0.0
0
1345
1286
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0026
3.0
0.0
0
0.0
0
2232
2237
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9852
3.0
0.0
0
0.0
0
2832
2837
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9706
5.0
0.0
0
0.0
0
2832
2836
-1
MS1 annotation
[M-2H2O+H]+ [M+K]+ dm/z=73.9815
5.0
0.0
0
0.0
0
1356
1369
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9289
2.0
0.0
0
0.0
0
2812
2834
-1
MS1 annotation
[2M+NH4]+ [M-H2O+H]+ dm/z=273.1728
2.0
0.0
0
0.0
0
4437
4444
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9559
3.0
0.0
0
0.0
0
4437
4438
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9327
3.0
0.0
0
0.0
0
2978
2964
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9825
5.0
0.0
0
0.0
0
2978
2966
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9724
5.0
0.0
0
0.0
0
2978
2970
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9540
5.0
0.0
0
0.0
0
3902
3911
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9808
2.0
0.0
0
0.0
0
372
330
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9872
4.0
0.0
0
0.0
0
372
332
-1
MS1 annotation
[M+Na]+ [2M+K]+ dm/z=287.8533
4.0
0.0
0
0.0
0
3194
3176
-1
MS1 annotation
[M+Na]+ [2M-2H2O+K]+ dm/z=106.1034
3.0
0.0
0
0.0
0
3194
3178
-1
MS1 annotation
[M+Na]+ [M-2H2O+K]+ dm/z=20.0365
3.0
0.0
0
0.0
0
1863
1865
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0370
3.0
0.0
0
0.0
0
160
157
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9550
5.0
0.0
0
0.0
0
160
184
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9789
5.0
0.0
0
0.0
0
4554
4555
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9507
2.0
0.0
0
0.0
0
1684
1686
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9949
5.0
0.0
0
0.0
0
3012
3011
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9916
2.0
0.0
0
0.0
0
5627
5586
-1
MS1 annotation
[M-2H2O+NH4]+ [2M+H]+ dm/z=426.1027
2.0
0.0
0
0.0
0
5627
5587
-1
MS1 annotation
[M-H2O+H]+ [2M-H+2Na]+ dm/z=468.0966
2.0
0.0
0
0.0
0
5627
5636
-1
MS1 annotation
[2M+Na]+ [M+H]+ dm/z=410.0641
2.0
0.0
0
0.0
0
3082
3083
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0375
7.0
0.0
0
0.0
0
2403
2384
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9516
2.0
0.0
0
0.0
0
6307
6359
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0016
2.0
0.0
0
0.0
0
4377
4388
-1
MS1 annotation
[M-H2O-H+2Na]+ [M+2H]+2 dm/z=192.0062
3.0
0.0
0
0.0
0
4377
4387
-1
MS1 annotation
[M+Na]+ [M+2H]+2 dm/z=188.0127
3.0
0.0
0
0.0
0
4377
4389
-1
MS1 annotation
[2M+H]+ [M-2H2O+NH4]+ dm/z=204.0442
2.0
0.0
0
0.0
0
4377
4379
-1
MS1 annotation
[M+Na]+ [2M-2H2O+2H]+2 dm/z=39.9746
2.0
0.0
0
0.0
0
2010
2014
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9885
2.0
0.0
0
0.0
0
2360
2357
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9928
3.0
0.0
0
0.0
0
2360
2362
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0025
3.0
0.0
0
0.0
0
1823
1825
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9671
4.0
0.0
0
0.0
0
1823
1826
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9932
4.0
0.0
0
0.0
0
161
108
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9653
2.0
0.0
0
0.0
0
161
181
-1
MS1 annotation
[M+K]+ [M-2H2O+Na]+ dm/z=51.9803
3.0
0.0
0
0.0
0
5501
5488
-1
MS1 annotation
[2M+Na]+ [M-H2O+K]+ dm/z=130.1320
3.0
0.0
0
0.0
0
5501
5489
-1
MS1 annotation
[2M+Na]+ [M+K]+ dm/z=112.1199
3.0
0.0
0
0.0
0
2058
2048
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9944
3.0
0.0
0
0.0
0
2058
2052
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0034
3.0
0.0
0
0.0
0
4632
4635
-1
MS1 annotation
[2M+H]+ [M-H2O+NH4]+ dm/z=133.9867
3.0
0.0
0
0.0
0
4632
4691
-1
MS1 annotation
[2M+H]+ [M+Na]+ dm/z=88.0729
2.0
0.0
0
0.0
0
525
511
-1
MS1 annotation
[M-2H2O+H]+ [2M+Na]+ dm/z=387.8275
2.0
0.0
0
0.0
0
525
547
-1
MS1 annotation
[2M+H]+ [M+Na]+ dm/z=249.8961
2.0
0.0
0
0.0
0
6393
6414
-1
MS1 annotation
[M-H2O+K]+ [M+Na]+ dm/z=2.0327
2.0
0.0
0
0.0
0
4277
4275
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0264
2.0
0.0
0
0.0
0
2952
2955
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0258
3.0
0.0
0
0.0
0
184
157
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9761
5.0
0.0
0
0.0
0
4937
4938
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9652
3.0
0.0
0
0.0
0
3455
3447
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9997
4.0
0.0
0
0.0
0
1998
1996
-1
MS1 annotation
[M+Na]+ [M-H2O+NH4]+ dm/z=22.9728
2.0
0.0
0
0.0
0
2313
2314
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0011
4.0
0.0
0
0.0
0
2276
2229
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9822
6.0
0.0
0
0.0
0
2276
2230
-1
MS1 annotation
[2M+2H]+2 [M+K]+ dm/z=37.9660
6.0
0.0
0
0.0
0
2276
2335
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9777
6.0
0.0
0
0.0
0
1258
1257
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9667
5.0
0.0
0
0.0
0
3525
3523
-1
MS1 annotation
[2M-H2O+Na]+ [M+H]+ dm/z=114.0664
2.0
0.0
0
0.0
0
3525
3552
-1
MS1 annotation
[M+Na]+ [M-2H2O+K]+ dm/z=20.0432
2.0
0.0
0
0.0
0
3525
3575
-1
MS1 annotation
[2M+Na]+ [M-2H2O+NH4]+ dm/z=284.1172
2.0
0.0
0
0.0
0
151
152
-1
MS1 annotation
[M+Na]+ [M-H2O+K]+ dm/z=2.0314
7.0
0.0
0
0.0
0
151
167
-1
MS1 annotation
[2M+H]+ [M-H2O+K]+ dm/z=327.8363
7.0
0.0
0
0.0
0
193
102
-1
MS1 annotation
[2M+H]+ [M-H2O+Na]+ dm/z=207.8626
4.0
0.0
0
0.0
0
193
147
-1
MS1 annotation
[2M+H]+ [M+K]+ dm/z=173.9035
4.0
0.0
0
0.0
0
193
218
-1
MS1 annotation
[2M+Na]+ [M-2H2O+NH4]+ dm/z=483.7086
2.0
0.0
0
0.0
0
1847
1849
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9333
2.0
0.0
0
0.0
0
147
108
-1
MS1 annotation
[M-2H2O+H]+ [2M+K]+ dm/z=359.8237
2.0
0.0
0
0.0
0
147
109
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9569
4.0
0.0
0
0.0
0
2314
2321
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=39.9924
4.0
0.0
0
0.0
0
2314
2315
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9877
4.0
0.0
0
0.0
0
2155
2160
-1
MS1 annotation
[M-H2O+NH4]+ [M+H]+ dm/z=0.9950
2.0
0.0
0
0.0
0
1564
1565
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9775
3.0
0.0
0
0.0
0
1564
1569
-1
MS1 annotation
[M+K]+ [2M+2H]+2 dm/z=37.9672
3.0
0.0
0
0.0
0
549
539
-1
MS1 annotation
[2M-H2O+K]+ [M+Na]+ dm/z=178.0273
2.0
0.0
0
0.0
0
549
566
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9734
2.0
0.0
0
0.0
0
5952
5903
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9698
4.0
0.0
0
0.0
0
5952
5949
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9352
4.0
0.0
0
0.0
0
351
347
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9589
2.0
0.0
0
0.0
0
1677
1676
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0282
2.0
0.0
0
0.0
0
3849
3859
-1
MS1 annotation
[M-H2O+K]+ [M+Na]+ dm/z=2.0283
2.0
0.0
0
0.0
0
1575
1557
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9875
4.0
0.0
0
0.0
0
2206
2210
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9877
4.0
0.0
0
0.0
0
2206
2208
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0346
4.0
0.0
0
0.0
0
1838
1837
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0044
2.0
0.0
0
0.0
0
3925
3939
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0285
2.0
0.0
0
0.0
0
4379
4425
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=57.9888
2.0
0.0
0
0.0
0
4427
4388
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=57.9913
2.0
0.0
0
0.0
0
4427
4396
-1
MS1 annotation
[M+Na]+ [2M-2H2O+K]+ dm/z=258.0634
3.0
0.0
0
0.0
0
4427
4397
-1
MS1 annotation
[M+Na]+ [2M-H2O+K]+ dm/z=276.0591
3.0
0.0
0
0.0
0
4391
4393
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0259
3.0
0.0
0
0.0
0
257
274
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9778
2.0
0.0
0
0.0
0
3939
3948
-1
MS1 annotation
[2M-H+2Na]+ [M+NH4]+ dm/z=328.2079
2.0
0.0
0
0.0
0
3743
3730
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=40.0005
4.0
0.0
0
0.0
0
3743
3731
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+K]+ dm/z=55.9756
4.0
0.0
0
0.0
0
2778
2777
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9845
5.0
0.0
0
0.0
0
94
173
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9566
2.0
0.0
0
0.0
0
4808
4751
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9693
2.0
0.0
0
0.0
0
4439
4423
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9918
2.0
0.0
0
0.0
0
3731
3730
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9751
4.0
0.0
0
0.0
0
1400
1391
-1
MS1 annotation
[M+Na]+ [M-2H2O+K]+ dm/z=20.0349
3.0
0.0
0
0.0
0
1557
1570
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0051
4.0
0.0
0
0.0
0
2804
2839
-1
MS1 annotation
[M+NH4]+ [2M-H2O+2H]+2 dm/z=26.0232
2.0
0.0
0
0.0
0
3596
3592
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9856
3.0
0.0
0
0.0
0
3596
3594
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9863
3.0
0.0
0
0.0
0
1675
1686
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9752
5.0
0.0
0
0.0
0
1675
1693
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9437
5.0
0.0
0
0.0
0
2095
2094
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9748
4.0
0.0
0
0.0
0
3549
3558
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9815
2.0
0.0
0
0.0
0
1286
1281
-1
MS1 annotation
[M-2H2O+H]+ [M+K]+ dm/z=73.9814
3.0
0.0
0
0.0
0
5932
5730
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9836
2.0
0.0
0
0.0
0
2803
2815
-1
MS1 annotation
[M+NH4]+ [2M-H2O+2H]+2 dm/z=26.0191
2.0
0.0
0
0.0
0
4628
4634
-1
MS1 annotation
[M+H]+ [2M+NH4]+ dm/z=239.0832
2.0
0.0
0
0.0
0
4628
4641
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0269
3.0
0.0
0
0.0
0
4628
4642
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9874
2.0
0.0
0
0.0
0
5056
5038
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9827
2.0
0.0
0
0.0
0
703
665
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9176
2.0
0.0
0
0.0
0
4526
4523
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9933
4.0
0.0
0
0.0
0
4526
4524
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9644
4.0
0.0
0
0.0
0
4526
4544
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9652
4.0
0.0
0
0.0
0
2939
2926
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9879
2.0
0.0
0
0.0
0
3480
3473
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9824
2.0
0.0
0
0.0
0
338
325
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9746
3.0
0.0
0
0.0
0
338
349
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9594
3.0
0.0
0
0.0
0
824
819
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9561
2.0
0.0
0
0.0
0
265
234
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9849
2.0
0.0
0
0.0
0
2955
2963
-1
MS1 annotation
[M+H]+ [M+NH4]+ dm/z=17.0219
3.0
0.0
0
0.0
0
5250
5327
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=39.9844
2.0
0.0
0
0.0
0
1253
1249
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+NH4]+ dm/z=35.0389
2.0
0.0
0
0.0
0
4523
4524
-1
MS1 annotation
[M+K]+ [2M+2H]+2 dm/z=37.9577
4.0
0.0
0
0.0
0
4920
4946
-1
MS1 annotation
[2M-H2O+H]+ [M+NH4]+ dm/z=336.0514
2.0
0.0
0
0.0
0
4920
5130
-1
MS1 annotation
[M+Na]+ [2M-2H2O+2H]+2 dm/z=39.9762
2.0
0.0
0
0.0
0
5214
5263
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9851
2.0
0.0
0
0.0
0
82
76
-1
MS1 annotation
[M-H2O+K]+ [2M+Na]+ dm/z=137.9563
2.0
0.0
0
0.0
0
554
544
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9713
2.0
0.0
0
0.0
0
554
552
-1
MS1 annotation
[M-2H2O+H]+ [2M-H+2Na]+ dm/z=451.9281
2.0
0.0
0
0.0
0
422
416
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9703
2.0
0.0
0
0.0
0
5127
5159
-1
MS1 annotation
[M+H]+ [2M-2H2O-H+2Na]+ dm/z=173.9609
3.0
0.0
0
0.0
0
3140
3139
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9715
3.0
0.0
0
0.0
0
1201
1195
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9678
3.0
0.0
0
0.0
0
522
496
-1
MS1 annotation
[2M+2H]+2 [M+K]+ dm/z=37.9608
3.0
0.0
0
0.0
0
522
509
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9791
3.0
0.0
0
0.0
0
110
91
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9826
2.0
0.0
0
0.0
0
110
181
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9887
3.0
0.0
0
0.0
0
110
166
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9593
2.0
0.0
0
0.0
0
130
181
-1
MS1 annotation
[M-H+2Na]+ [M-2H2O+H]+ dm/z=79.9721
2.0
0.0
0
0.0
0
130
170
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9647
2.0
0.0
0
0.0
0
225
202
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9810
2.0
0.0
0
0.0
0
4626
4627
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0398
3.0
0.0
0
0.0
0
4626
4634
-1
MS1 annotation
[M+NH4]+ [2M+Na]+ dm/z=210.0070
2.0
0.0
0
0.0
0
2775
2813
-1
MS1 annotation
[2M-H2O+K]+ [M+Na]+ dm/z=92.0735
2.0
0.0
0
0.0
0
205
105
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9560
2.0
0.0
0
0.0
0
205
164
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9834
3.0
0.0
0
0.0
0
205
178
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9782
3.0
0.0
0
0.0
0
155
102
-1
MS1 annotation
[2M+H]+ [M+Na]+ dm/z=171.8908
2.0
0.0
0
0.0
0
155
153
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9774
2.0
0.0
0
0.0
0
5992
5918
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9810
2.0
0.0
0
0.0
0
182
106
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9709
3.0
0.0
0
0.0
0
182
134
-1
MS1 annotation
[M+H]+ [M-H2O+Na]+ dm/z=3.9665
3.0
0.0
0
0.0
0
182
165
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9846
3.0
0.0
0
0.0
0
182
169
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9594
3.0
0.0
0
0.0
0
371
364
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9794
2.0
0.0
0
0.0
0
1362
1365
-1
MS1 annotation
[M-2H2O+H]+ [M+K]+ dm/z=73.9816
5.0
0.0
0
0.0
0
1362
1368
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+K]+ dm/z=55.9711
5.0
0.0
0
0.0
0
2777
2781
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9605
5.0
0.0
0
0.0
0
1585
1590
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9895
3.0
0.0
0
0.0
0
1585
1589
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=40.0029
3.0
0.0
0
0.0
0
5117
5110
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9842
2.0
0.0
0
0.0
0
181
108
-1
MS1 annotation
[M+H]+ [M-H2O+Na]+ dm/z=3.9851
3.0
0.0
0
0.0
0
181
166
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9706
3.0
0.0
0
0.0
0
96
203
-1
MS1 annotation
[2M+K]+ [M+Na]+ dm/z=191.8650
2.0
0.0
0
0.0
0
4370
4371
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9817
4.0
0.0
0
0.0
0
4370
4373
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9501
4.0
0.0
0
0.0
0
375
330
-1
MS1 annotation
[2M+Na]+ [M+K]+ dm/z=255.8874
4.0
0.0
0
0.0
0
4618
4627
-1
MS1 annotation
[M+NH4]+ [M-H2O+2H]+2 dm/z=242.0780
3.0
0.0
0
0.0
0
4618
4639
-1
MS1 annotation
[2M+H]+ [M+Na]+ dm/z=163.0684
2.0
0.0
0
0.0
0
4618
4633
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0322
2.0
0.0
0
0.0
0
4618
4619
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0252
2.0
0.0
0
0.0
0
2643
2630
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9711
2.0
0.0
0
0.0
0
1547
1542
-1
MS1 annotation
[M+H]+ [2M+Na]+ dm/z=334.6166
2.0
0.0
0
0.0
0
1658
1656
-1
MS1 annotation
[M+Na]+ [M-2H2O+NH4]+ dm/z=40.9700
2.0
0.0
0
0.0
0
711
742
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9825
2.0
0.0
0
0.0
0
1710
1702
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9570
3.0
0.0
0
0.0
0
1710
1711
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9704
3.0
0.0
0
0.0
0
6131
6132
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9589
2.0
0.0
0
0.0
0
2197
2196
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0042
5.0
0.0
0
0.0
0
2197
2199
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9939
5.0
0.0
0
0.0
0
2197
2200
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9845
5.0
0.0
0
0.0
0
2197
2198
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9750
5.0
0.0
0
0.0
0
6394
6414
-1
MS1 annotation
[M-2H2O+K]+ [M+Na]+ dm/z=20.0489
2.0
0.0
0
0.0
0
4533
4492
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+K]+ dm/z=55.9660
3.0
0.0
0
0.0
0
2716
2714
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=40.0009
4.0
0.0
0
0.0
0
2716
2715
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9763
4.0
0.0
0
0.0
0
3447
3387
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=40.0008
4.0
0.0
0
0.0
0
5589
5586
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9656
3.0
0.0
0
0.0
0
203
170
-1
MS1 annotation
[M-2H2O+H]+ [M-H+2Na]+ dm/z=79.9687
2.0
0.0
0
0.0
0
203
175
-1
MS1 annotation
[M+Na]+ [2M+H]+ dm/z=345.7818
2.0
0.0
0
0.0
0
203
183
-1
MS1 annotation
[M-H2O-H+2Na]+ [2M+H]+ dm/z=337.8196
2.0
0.0
0
0.0
0
2905
2906
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9955
3.0
0.0
0
0.0
0
6091
6044
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9759
3.0
0.0
0
0.0
0
4638
4617
-1
MS1 annotation
[2M-2H2O-H+2Na]+ [M+H]+ dm/z=173.9629
2.0
0.0
0
0.0
0
4638
4629
-1
MS1 annotation
[2M+K]+ [M-H2O+NH4]+ dm/z=189.9826
2.0
0.0
0
0.0
0
2084
2129
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9591
3.0
0.0
0
0.0
0
106
105
-1
MS1 annotation
[M-H+2Na]+ [M-H2O+H]+ dm/z=61.9874
2.0
0.0
0
0.0
0
106
165
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9556
3.0
0.0
0
0.0
0
3351
3343
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9838
2.0
0.0
0
0.0
0
3094
3081
-1
MS1 annotation
[M-H2O+NH4]+ [M+Na]+ dm/z=22.9602
7.0
0.0
0
0.0
0
3094
3087
-1
MS1 annotation
[M-H2O+NH4]+ [M+K]+ dm/z=38.9423
7.0
0.0
0
0.0
0
2878
2855
-1
MS1 annotation
[2M+K]+ [M+H]+ dm/z=308.1379
2.0
0.0
0
0.0
0
2878
2891
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=39.9971
3.0
0.0
0
0.0
0
1442
1444
-1
MS1 annotation
[2M-H2O+K]+ [M+NH4]+ dm/z=119.0071
2.0
0.0
0
0.0
0
1889
1877
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0066
2.0
0.0
0
0.0
0
1946
1943
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0029
3.0
0.0
0
0.0
0
3179
3174
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0463
3.0
0.0
0
0.0
0
3179
3176
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0356
3.0
0.0
0
0.0
0
1454
1450
-1
MS1 annotation
[M+H]+ [M+NH4]+ dm/z=17.0256
4.0
0.0
0
0.0
0
1454
1453
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9825
4.0
0.0
0
0.0
0
2879
2891
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9860
3.0
0.0
0
0.0
0
1522
1482
-1
MS1 annotation
[2M+NH4]+ [M+K]+ dm/z=305.2138
2.0
0.0
0
0.0
0
3879
3858
-1
MS1 annotation
[2M+Na]+ [M+H]+ dm/z=437.2819
4.0
0.0
0
0.0
0
3879
3872
-1
MS1 annotation
[2M+Na]+ [M+NH4]+ dm/z=420.2565
4.0
0.0
0
0.0
0
3448
3387
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0119
4.0
0.0
0
0.0
0
3255
3251
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9939
2.0
0.0
0
0.0
0
3250
3237
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9877
2.0
0.0
0
0.0
0
1858
1859
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9848
2.0
0.0
0
0.0
0
276
289
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9772
2.0
0.0
0
0.0
0
4648
4614
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9683
3.0
0.0
0
0.0
0
2445
2439
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9718
2.0
0.0
0
0.0
0
1929
1959
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=57.9907
2.0
0.0
0
0.0
0
1702
1711
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9866
3.0
0.0
0
0.0
0
593
598
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0288
2.0
0.0
0
0.0
0
3060
3067
-1
MS1 annotation
[M+Na]+ [M-H2O+H]+ dm/z=40.0034
3.0
0.0
0
0.0
0
3698
3700
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9764
4.0
0.0
0
0.0
0
3698
3705
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9919
4.0
0.0
0
0.0
0
334
333
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9773
2.0
0.0
0
0.0
0
100
168
-1
MS1 annotation
[2M+K]+ [M-H2O+Na]+ dm/z=381.7538
7.0
0.0
0
0.0
0
4206
4212
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9263
3.0
0.0
0
0.0
0
2294
2292
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9785
4.0
0.0
0
0.0
0
2294
2300
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9783
4.0
0.0
0
0.0
0
1899
1903
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9550
2.0
0.0
0
0.0
0
2018
2016
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9817
5.0
0.0
0
0.0
0
368
312
-1
MS1 annotation
[M-2H2O+H]+ [2M+Na]+ dm/z=543.7427
2.0
0.0
0
0.0
0
368
339
-1
MS1 annotation
[M+Na]+ [2M+H]+ dm/z=405.8013
2.0
0.0
0
0.0
0
4811
4898
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9872
2.0
0.0
0
0.0
0
3528
3532
-1
MS1 annotation
[2M-H+2Na]+ [M-H2O+H]+ dm/z=204.1170
2.0
0.0
0
0.0
0
1156
1157
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9766
3.0
0.0
0
0.0
0
1156
1159
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9868
3.0
0.0
0
0.0
0
3346
3347
-1
MS1 annotation
[2M+K]+ [M+Na]+ dm/z=450.2701
2.0
0.0
0
0.0
0
99
154
-1
MS1 annotation
[M+K]+ [2M-H2O+H]+ dm/z=291.8393
7.0
0.0
0
0.0
0
99
152
-1
MS1 annotation
[M+Na]+ [2M-H2O+H]+ dm/z=307.8174
7.0
0.0
0
0.0
0
3950
3982
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+NH4]+ dm/z=35.0325
2.0
0.0
0
0.0
0
543
552
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9819
2.0
0.0
0
0.0
0
4388
4376
-1
MS1 annotation
[2M+Na]+ [M-2H2O+H]+ dm/z=226.0497
3.0
0.0
0
0.0
0
4388
4429
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0381
2.0
0.0
0
0.0
0
4970
4989
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0247
2.0
0.0
0
0.0
0
1195
1199
-1
MS1 annotation
[M-2H2O+H]+ [M+K]+ dm/z=73.9780
3.0
0.0
0
0.0
0
3101
3065
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9837
5.0
0.0
0
0.0
0
3101
3080
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9635
5.0
0.0
0
0.0
0
1786
1784
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9305
4.0
0.0
0
0.0
0
1786
1785
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9743
4.0
0.0
0
0.0
0
1786
1787
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9561
4.0
0.0
0
0.0
0
1952
1943
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9777
3.0
0.0
0
0.0
0
154
152
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9781
7.0
0.0
0
0.0
0
154
167
-1
MS1 annotation
[2M+H]+ [M+K]+ dm/z=309.8268
7.0
0.0
0
0.0
0
2735
2742
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9887
2.0
0.0
0
0.0
0
1143
1141
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9757
4.0
0.0
0
0.0
0
1143
1146
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9701
4.0
0.0
0
0.0
0
5909
5926
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9673
3.0
0.0
0
0.0
0
1904
1901
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9557
3.0
0.0
0
0.0
0
1904
1906
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0182
3.0
0.0
0
0.0
0
5562
5547
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9559
2.0
0.0
0
0.0
0
5942
5821
-1
MS1 annotation
[2M-2H2O-H+2Na]+ [M+NH4]+ dm/z=193.9529
2.0
0.0
0
0.0
0
3984
3983
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9844
3.0
0.0
0
0.0
0
104
105
-1
MS1 annotation
[2M-H+2Na]+ [M-H2O+H]+ dm/z=293.8460
2.0
0.0
0
0.0
0
5322
5360
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=57.9915
2.0
0.0
0
0.0
0
518
524
-1
MS1 annotation
[M-2H2O+H]+ [2M-H+2Na]+ dm/z=545.7467
2.0
0.0
0
0.0
0
5404
5408
-1
MS1 annotation
[2M-2H2O+H]+ [M+Na]+ dm/z=220.0713
2.0
0.0
0
0.0
0
4635
4629
-1
MS1 annotation
[2M+H]+ [M+NH4]+ dm/z=115.9648
3.0
0.0
0
0.0
0
4645
4637
-1
MS1 annotation
[2M-H2O-H+2Na]+ [M+H]+ dm/z=340.0401
5.0
0.0
0
0.0
0
2975
2966
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0363
5.0
0.0
0
0.0
0
5123
5067
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=57.9885
2.0
0.0
0
0.0
0
5123
5159
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=39.9744
2.0
0.0
0
0.0
0
844
815
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0154
2.0
0.0
0
0.0
0
4587
4569
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9712
2.0
0.0
0
0.0
0
2592
2600
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9737
4.0
0.0
0
0.0
0
4438
4444
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9768
3.0
0.0
0
0.0
0
4438
4442
-1
MS1 annotation
[M+NH4]+ [2M+K]+ dm/z=494.2694
3.0
0.0
0
0.0
0
4200
4168
-1
MS1 annotation
[M+NH4]+ [2M-H+2Na]+ dm/z=322.1759
2.0
0.0
0
0.0
0
1283
1285
-1
MS1 annotation
[M+H]+ [2M-2H2O+Na]+ dm/z=299.6152
2.0
0.0
0
0.0
0
101
163
-1
MS1 annotation
[M-2H2O+H]+ [M-H+2Na]+ dm/z=79.9817
2.0
0.0
0
0.0
0
5921
5969
-1
MS1 annotation
[2M+Na]+ [M-2H2O+NH4]+ dm/z=522.1069
2.0
0.0
0
0.0
0
5743
5781
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9744
2.0
0.0
0
0.0
0
1697
1695
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9561
2.0
0.0
0
0.0
0
1421
1426
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9800
3.0
0.0
0
0.0
0
1208
1190
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9751
2.0
0.0
0
0.0
0
107
175
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9558
2.0
0.0
0
0.0
0
133
157
-1
MS1 annotation
[M+H]+ [2M-H2O+Na]+ dm/z=437.7103
5.0
0.0
0
0.0
0
3067
3058
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9855
3.0
0.0
0
0.0
0
3048
3052
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9829
2.0
0.0
0
0.0
0
4640
4639
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=57.9882
2.0
0.0
0
0.0
0
144
197
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=39.9894
2.0
0.0
0
0.0
0
4395
4396
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9456
2.0
0.0
0
0.0
0
523
504
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9795
3.0
0.0
0
0.0
0
523
524
-1
MS1 annotation
[M+Na]+ [2M+H]+ dm/z=385.8171
3.0
0.0
0
0.0
0
2016
2015
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0025
5.0
0.0
0
0.0
0
2016
2017
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9958
5.0
0.0
0
0.0
0
1223
1250
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9722
2.0
0.0
0
0.0
0
3377
3376
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9912
2.0
0.0
0
0.0
0
4675
4674
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=57.9879
2.0
0.0
0
0.0
0
536
519
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9801
2.0
0.0
0
0.0
0
1531
1534
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0048
4.0
0.0
0
0.0
0
1531
1532
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9709
4.0
0.0
0
0.0
0
2837
2822
-1
MS1 annotation
[M-H2O+H]+ [M+NH4]+ dm/z=35.0333
5.0
0.0
0
0.0
0
156
150
-1
MS1 annotation
[M+K]+ [2M-H2O-H+2Na]+ dm/z=381.7551
4.0
0.0
0
0.0
0
156
186
-1
MS1 annotation
[M-2H2O+Na]+ [M+K]+ dm/z=51.9806
4.0
0.0
0
0.0
0
156
171
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9825
4.0
0.0
0
0.0
0
4991
4967
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9632
2.0
0.0
0
0.0
0
5141
5145
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9859
2.0
0.0
0
0.0
0
3535
3562
-1
MS1 annotation
[2M-2H2O+Na]+ [M+NH4]+ dm/z=136.0832
2.0
0.0
0
0.0
0
2856
2855
-1
MS1 annotation
[M+H]+ [M-H+2Na]+ dm/z=43.9670
2.0
0.0
0
0.0
0
3599
3581
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9786
2.0
0.0
0
0.0
0
647
668
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0244
4.0
0.0
0
0.0
0
5521
5576
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0326
2.0
0.0
0
0.0
0
290
336
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9813
2.0
0.0
0
0.0
0
84
86
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9780
2.0
0.0
0
0.0
0
406
418
-1
MS1 annotation
[M+Na]+ [2M+H]+ dm/z=209.8712
3.0
0.0
0
0.0
0
524
495
-1
MS1 annotation
[M+Na]+ [2M+K]+ dm/z=423.7761
3.0
0.0
0
0.0
0
3155
3171
-1
MS1 annotation
[M+Na]+ [M-2H2O+K]+ dm/z=20.0411
2.0
0.0
0
0.0
0
597
596
-1
MS1 annotation
[M+K]+ [2M+H]+ dm/z=179.9571
2.0
0.0
0
0.0
0
162
206
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9765
2.0
0.0
0
0.0
0
3385
3363
-1
MS1 annotation
[2M+Na]+ [M-H2O+H]+ dm/z=376.2126
2.0
0.0
0
0.0
0
6129
6163
-1
MS1 annotation
[M+Na]+ [M-2H2O+NH4]+ dm/z=40.9877
2.0
0.0
0
0.0
0
4644
4637
-1
MS1 annotation
[2M+Na]+ [M+H]+ dm/z=336.0549
5.0
0.0
0
0.0
0
5541
5593
-1
MS1 annotation
[M+H]+ [2M-2H2O+NH4]+ dm/z=429.1441
2.0
0.0
0
0.0
0
4677
4680
-1
MS1 annotation
[M-H+2Na]+ [2M-2H2O+2H]+2 dm/z=61.9784
5.0
0.0
0
0.0
0
1968
1965
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9508
3.0
0.0
0
0.0
0
1968
1970
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0291
3.0
0.0
0
0.0
0
167
152
-1
MS1 annotation
[2M+H]+ [M+Na]+ dm/z=325.8049
7.0
0.0
0
0.0
0
348
369
-1
MS1 annotation
[M+Na]+ [2M+K]+ dm/z=423.7747
3.0
0.0
0
0.0
0
6375
6372
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9852
3.0
0.0
0
0.0
0
6375
6376
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9603
3.0
0.0
0
0.0
0
544
540
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+Na]+ dm/z=271.8574
3.0
0.0
0
0.0
0
544
562
-1
MS1 annotation
[2M-2H2O+K]+ [M+NH4]+ dm/z=287.8364
3.0
0.0
0
0.0
0
544
551
-1
MS1 annotation
[2M-2H2O+H]+ [M-H+2Na]+ dm/z=196.0349
2.0
0.0
0
0.0
0
4009
4023
-1
MS1 annotation
[M-H2O+K]+ [2M-H+2Na]+ dm/z=152.1275
3.0
0.0
0
0.0
0
4009
4012
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9910
2.0
0.0
0
0.0
0
2906
2904
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9825
3.0
0.0
0
0.0
0
5433
5294
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9688
4.0
0.0
0
0.0
0
2237
2235
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0180
3.0
0.0
0
0.0
0
5160
5121
-1
MS1 annotation
[M+H]+ [2M-2H2O-H+2Na]+ dm/z=228.0269
2.0
0.0
0
0.0
0
5160
5130
-1
MS1 annotation
[M+NH4]+ [2M+Na]+ dm/z=208.0033
3.0
0.0
0
0.0
0
871
870
-1
MS1 annotation
[2M+2H]+2 [M+NH4]+ dm/z=17.0259
2.0
0.0
0
0.0
0
558
537
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9744
2.0
0.0
0
0.0
0
1032
1045
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9735
2.0
0.0
0
0.0
0
1812
1825
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9774
4.0
0.0
0
0.0
0
2822
2836
-1
MS1 annotation
[M-2H2O+H]+ [M+NH4]+ dm/z=53.0442
5.0
0.0
0
0.0
0
6163
6123
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9765
2.0
0.0
0
0.0
0
2618
2639
-1
MS1 annotation
[M-2H2O+H]+ [2M-H+2Na]+ dm/z=294.1322
2.0
0.0
0
0.0
0
169
165
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9747
3.0
0.0
0
0.0
0
169
174
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9820
3.0
0.0
0
0.0
0
169
172
-1
MS1 annotation
[M-2H2O+NH4]+ [2M+H]+ dm/z=333.7960
2.0
0.0
0
0.0
0
4883
4884
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9555
2.0
0.0
0
0.0
0
1482
1492
-1
MS1 annotation
[2M-2H2O+NH4]+ [M+Na]+ dm/z=301.1129
2.0
0.0
0
0.0
0
111
163
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9613
2.0
0.0
0
0.0
0
2303
2318
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0085
2.0
0.0
0
0.0
0
3349
3352
-1
MS1 annotation
[M+Na]+ [M-H2O+K]+ dm/z=2.0263
2.0
0.0
0
0.0
0
327
291
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9857
2.0
0.0
0
0.0
0
327
308
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9746
2.0
0.0
0
0.0
0
5492
5490
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9850
3.0
0.0
0
0.0
0
5492
5503
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9632
3.0
0.0
0
0.0
0
1026
1030
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9625
2.0
0.0
0
0.0
0
226
227
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9801
2.0
0.0
0
0.0
0
2138
2122
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9801
6.0
0.0
0
0.0
0
2138
2229
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9785
6.0
0.0
0
0.0
0
159
140
-1
MS1 annotation
[2M+H]+ [M-H2O+Na]+ dm/z=228.0491
2.0
0.0
0
0.0
0
173
140
-1
MS1 annotation
[2M+Na]+ [M+K]+ dm/z=182.0434
2.0
0.0
0
0.0
0
2270
2260
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9942
2.0
0.0
0
0.0
0
4376
4378
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=57.9872
3.0
0.0
0
0.0
0
4376
4383
-1
MS1 annotation
[2M+H]+ [M-H2O+NH4]+ dm/z=133.9860
2.0
0.0
0
0.0
0
1758
1761
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0064
2.0
0.0
0
0.0
0
4227
4243
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0075
2.0
0.0
0
0.0
0
5731
5871
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9752
2.0
0.0
0
0.0
0
386
328
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9819
2.0
0.0
0
0.0
0
6236
6110
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9711
2.0
0.0
0
0.0
0
192
158
-1
MS1 annotation
[2M-H+2Na]+ [M-H2O+H]+ dm/z=533.6770
2.0
0.0
0
0.0
0
504
495
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9794
3.0
0.0
0
0.0
0
2300
2292
-1
MS1 annotation
[M+Na]+ [M-2H2O+H]+ dm/z=58.0002
4.0
0.0
0
0.0
0
5147
5110
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9713
2.0
0.0
0
0.0
0
5963
5843
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9875
2.0
0.0
0
0.0
0
6313
6326
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9729
2.0
0.0
0
0.0
0
3872
3858
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0253
4.0
0.0
0
0.0
0
174
165
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9567
3.0
0.0
0
0.0
0
2123
2129
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9601
3.0
0.0
0
0.0
0
170
102
-1
MS1 annotation
[2M+H]+ [M-2H2O+NH4]+ dm/z=253.8610
2.0
0.0
0
0.0
0
658
668
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9822
4.0
0.0
0
0.0
0
5930
5861
-1
MS1 annotation
[M+H]+ [M-H2O+Na]+ dm/z=3.9895
2.0
0.0
0
0.0
0
1851
1848
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9706
2.0
0.0
0
0.0
0
5227
5236
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9599
2.0
0.0
0
0.0
0
2877
2875
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0340
3.0
0.0
0
0.0
0
2877
2880
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9531
3.0
0.0
0
0.0
0
4166
4169
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9876
2.0
0.0
0
0.0
0
102
119
-1
MS1 annotation
[2M-H+2Na]+ [M-2H2O+H]+ dm/z=331.8511
3.0
0.0
0
0.0
0
102
172
-1
MS1 annotation
[M-H+2Na]+ [M-2H2O+H]+ dm/z=79.9689
3.0
0.0
0
0.0
0
1906
1901
-1
MS1 annotation
[2M+2H]+2 [M+Na]+ dm/z=21.9739
3.0
0.0
0
0.0
0
4398
4385
-1
MS1 annotation
[2M+Na]+ [M+NH4]+ dm/z=284.0253
3.0
0.0
0
0.0
0
1532
1534
-1
MS1 annotation
[M-2H2O+H]+ [M+K]+ dm/z=73.9757
4.0
0.0
0
0.0
0
6179
6180
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9702
2.0
0.0
0
0.0
0
1006
1007
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9847
2.0
0.0
0
0.0
0
3037
3040
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9779
3.0
0.0
0
0.0
0
4396
4385
-1
MS1 annotation
[2M+H]+ [M+NH4]+ dm/z=262.0522
3.0
0.0
0
0.0
0
2196
2198
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9792
5.0
0.0
0
0.0
0
759
784
-1
MS1 annotation
[M+H]+ [M+NH4]+ dm/z=17.0140
2.0
0.0
0
0.0
0
5001
4989
-1
MS1 annotation
[M+H]+ [2M-H2O+Na]+ dm/z=392.1010
2.0
0.0
0
0.0
0
1038
1042
-1
MS1 annotation
[2M-2H2O+Na]+ [M+H]+ dm/z=227.0557
2.0
0.0
0
0.0
0
2184
2191
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9781
3.0
0.0
0
0.0
0
2184
2190
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9835
3.0
0.0
0
0.0
0
5249
5332
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+Na]+ dm/z=322.0407
2.0
0.0
0
0.0
0
1397
1391
-1
MS1 annotation
[M-H+2Na]+ [M-2H2O+K]+ dm/z=42.0380
3.0
0.0
0
0.0
0
5903
5949
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0346
4.0
0.0
0
0.0
0
5903
5910
-1
MS1 annotation
[M-H+2Na]+ [2M-2H2O+2H]+2 dm/z=61.9704
4.0
0.0
0
0.0
0
259
256
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9547
2.0
0.0
0
0.0
0
2715
2714
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9771
4.0
0.0
0
0.0
0
4371
4373
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9684
4.0
0.0
0
0.0
0
4371
4374
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9891
4.0
0.0
0
0.0
0
1308
1305
-1
MS1 annotation
[M+H]+ [M+NH4]+ dm/z=17.0305
2.0
0.0
0
0.0
0
3897
3874
-1
MS1 annotation
[2M+H]+ [M-H2O+NH4]+ dm/z=425.7874
2.0
0.0
0
0.0
0
2909
2912
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9829
2.0
0.0
0
0.0
0
4680
4637
-1
MS1 annotation
[M-H+2Na]+ [M+H]+ dm/z=43.9677
5.0
0.0
0
0.0
0
6022
5859
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9813
2.0
0.0
0
0.0
0
3263
3242
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9829
3.0
0.0
0
0.0
0
3161
3210
-1
MS1 annotation
[M-2H2O+K]+ [M+Na]+ dm/z=20.0431
3.0
0.0
0
0.0
0
1958
1962
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9819
3.0
0.0
0
0.0
0
195
196
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9971
2.0
0.0
0
0.0
0
548
553
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9785
2.0
0.0
0
0.0
0
548
557
-1
MS1 annotation
[M-H2O+K]+ [2M+H]+ dm/z=298.0185
2.0
0.0
0
0.0
0
1962
1957
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9841
3.0
0.0
0
0.0
0
2015
2022
-1
MS1 annotation
[M+NH4]+ [M-2H2O+H]+ dm/z=53.0395
5.0
0.0
0
0.0
0
1784
1785
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9562
4.0
0.0
0
0.0
0
1784
1787
-1
MS1 annotation
[M+H]+ [M+NH4]+ dm/z=17.0256
4.0
0.0
0
0.0
0
4205
4203
-1
MS1 annotation
[M+NH4]+ [2M+Na]+ dm/z=449.2570
2.0
0.0
0
0.0
0
1518
1509
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9770
2.0
0.0
0
0.0
0
1378
1376
-1
MS1 annotation
[2M-2H2O+K]+ [M+Na]+ dm/z=123.0496
2.0
0.0
0
0.0
0
6398
6402
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9625
2.0
0.0
0
0.0
0
3120
3116
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9782
3.0
0.0
0
0.0
0
2156
2167
-1
MS1 annotation
[2M+2H]+2 [M-H2O+NH4]+ dm/z=0.9888
2.0
0.0
0
0.0
0
6421
6420
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=58.0053
2.0
0.0
0
0.0
0
4969
4957
-1
MS1 annotation
[M-H2O+NH4]+ [2M+2H]+2 dm/z=0.9663
2.0
0.0
0
0.0
0
3700
3705
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9683
4.0
0.0
0
0.0
0
1582
1570
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9926
4.0
0.0
0
0.0
0
2191
2190
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9616
3.0
0.0
0
0.0
0
2191
2219
-1
MS1 annotation
[M-H+2Na]+ [M-H2O+NH4]+ dm/z=44.9498
2.0
0.0
0
0.0
0
1468
1469
-1
MS1 annotation
[2M+2H]+2 [M+K]+ dm/z=37.9574
3.0
0.0
0
0.0
0
1349
1348
-1
MS1 annotation
[M-H2O+2H]+2 [M+Na]+ dm/z=194.0827
2.0
0.0
0
0.0
0
3068
3064
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9894
2.0
0.0
0
0.0
0
3009
3018
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9772
4.0
0.0
0
0.0
0
3009
3020
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9898
4.0
0.0
0
0.0
0
3127
3139
-1
MS1 annotation
[M+H]+ [M-2H2O+NH4]+ dm/z=18.9866
2.0
0.0
0
0.0
0
152
168
-1
MS1 annotation
[2M+K]+ [M+Na]+ dm/z=363.7619
7.0
0.0
0
0.0
0
1785
1787
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9819
4.0
0.0
0
0.0
0
109
153
-1
MS1 annotation
[2M+H]+ [M-H2O-H+2Na]+ dm/z=159.9112
2.0
0.0
0
0.0
0
4492
4534
-1
MS1 annotation
[M+NH4]+ [M+K]+ dm/z=20.9292
3.0
0.0
0
0.0
0
609
606
-1
MS1 annotation
[M-2H2O+Na]+ [M+NH4]+ dm/z=31.0639
2.0
0.0
0
0.0
0
3095
3065
-1
MS1 annotation
[M-2H2O+H]+ [M+Na]+ dm/z=57.9946
5.0
0.0
0
0.0
0
3116
3139
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9771
2.0
0.0
0
0.0
0
4399
4400
-1
MS1 annotation
[M+Na]+ [2M-2H2O+2H]+2 dm/z=39.9961
6.0
0.0
0
0.0
0
4399
4402
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9663
6.0
0.0
0
0.0
0
3066
3065
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9956
5.0
0.0
0
0.0
0
424
412
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9753
3.0
0.0
0
0.0
0
424
418
-1
MS1 annotation
[2M-2H2O+H]+ [M+Na]+ dm/z=173.8894
3.0
0.0
0
0.0
0
424
428
-1
MS1 annotation
[2M+2H]+2 [M+K]+ dm/z=37.9669
3.0
0.0
0
0.0
0
2208
2209
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9193
4.0
0.0
0
0.0
0
2208
2210
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9532
4.0
0.0
0
0.0
0
153
103
-1
MS1 annotation
[M+K]+ [2M+Na]+ dm/z=317.8445
2.0
0.0
0
0.0
0
153
185
-1
MS1 annotation
[2M+H]+ [M-H2O-H+2Na]+ dm/z=319.8438
2.0
0.0
0
0.0
0
3081
3078
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9899
7.0
0.0
0
0.0
0
3081
3083
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9632
7.0
0.0
0
0.0
0
2781
2760
-1
MS1 annotation
[M+K]+ [M-2H2O+H]+ dm/z=73.9891
5.0
0.0
0
0.0
0
2781
2761
-1
MS1 annotation
[M+K]+ [M-H2O+H]+ dm/z=55.9777
5.0
0.0
0
0.0
0
3413
3412
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9861
2.0
0.0
0
0.0
0
1994
1995
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9770
3.0
0.0
0
0.0
0
1994
1996
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9590
3.0
0.0
0
0.0
0
5806
5807
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9537
2.0
0.0
0
0.0
0
2834
2814
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9874
2.0
0.0
0
0.0
0
138
157
-1
MS1 annotation
[M+H]+ [2M-2H2O+K]+ dm/z=435.7124
5.0
0.0
0
0.0
0
1475
1469
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9867
3.0
0.0
0
0.0
0
4988
4913
-1
MS1 annotation
[2M+H]+ [M-2H2O+Na]+ dm/z=236.0958
3.0
0.0
0
0.0
0
2022
2017
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0328
5.0
0.0
0
0.0
0
2200
2198
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9595
5.0
0.0
0
0.0
0
496
509
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9817
3.0
0.0
0
0.0
0
3065
3080
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9798
5.0
0.0
0
0.0
0
5409
5408
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9859
2.0
0.0
0
0.0
0
2198
2199
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9689
5.0
0.0
0
0.0
0
5129
5159
-1
MS1 annotation
[M-2H2O+NH4]+ [2M+H]+ dm/z=204.0439
2.0
0.0
0
0.0
0
5121
5159
-1
MS1 annotation
[M-2H2O+H]+ [2M-H+2Na]+ dm/z=282.0556
2.0
0.0
0
0.0
0
5130
4923
-1
MS1 annotation
[2M+Na]+ [M+NH4]+ dm/z=208.0033
3.0
0.0
0
0.0
0
2621
2597
-1
MS1 annotation
[M+H]+ [M-2H2O+Na]+ dm/z=14.0445
2.0
0.0
0
0.0
0
1040
1037
-1
MS1 annotation
[M+K]+ [2M+2H]+2 dm/z=37.9612
3.0
0.0
0
0.0
0
1040
1042
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9732
3.0
0.0
0
0.0
0
1146
1141
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9944
4.0
0.0
0
0.0
0
145
134
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9642
3.0
0.0
0
0.0
0
145
164
-1
MS1 annotation
[M-H2O+Na]+ [M+H]+ dm/z=3.9787
3.0
0.0
0
0.0
0
1840
1853
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9681
2.0
0.0
0
0.0
0
4012
4023
-1
MS1 annotation
[M-H2O+K]+ [2M+Na]+ dm/z=130.1365
3.0
0.0
0
0.0
0
4913
4942
-1
MS1 annotation
[2M+2H]+2 [M-2H2O+Na]+ dm/z=14.0393
3.0
0.0
0
0.0
0
6105
6044
-1
MS1 annotation
[M-H2O+H]+ [M+Na]+ dm/z=39.9915
3.0
0.0
0
0.0
0
178
105
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9778
2.0
0.0
0
0.0
0
178
164
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9616
3.0
0.0
0
0.0
0
3129
3154
-1
MS1 annotation
[M-H2O+H]+ [2M+NH4]+ dm/z=313.2617
2.0
0.0
0
0.0
0
701
668
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0236
4.0
0.0
0
0.0
0
418
421
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9571
2.0
0.0
0
0.0
0
4956
4957
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9525
3.0
0.0
0
0.0
0
5503
5490
-1
MS1 annotation
[M+K]+ [M+H]+ dm/z=37.9482
3.0
0.0
0
0.0
0
4957
5019
-1
MS1 annotation
[2M-2H2O+2H]+2 [M+Na]+ dm/z=39.9958
3.0
0.0
0
0.0
0
1426
1418
-1
MS1 annotation
[M+Na]+ [2M+2H]+2 dm/z=21.9854
3.0
0.0
0
0.0
0
4380
4393
-1
MS1 annotation
[2M+NH4]+ [M+H]+ dm/z=239.0819
2.0
0.0
0
0.0
0
5584
5821
-1
MS1 annotation
[M+H]+ [2M+Na]+ dm/z=242.0545
2.0
0.0
0
0.0
0
4212
4203
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9867
3.0
0.0
0
0.0
0
3790
3805
-1
MS1 annotation
[M+K]+ [M-H2O+NH4]+ dm/z=38.9390
2.0
0.0
0
0.0
0
5159
5126
-1
MS1 annotation
[M+NH4]+ [2M-H2O+H]+ dm/z=113.9935
2.0
0.0
0
0.0
0
329
240
-1
MS1 annotation
[M+Na]+ [M-H2O+K]+ dm/z=2.0311
3.0
0.0
0
0.0
0
329
310
-1
MS1 annotation
[M-H2O+K]+ [M+Na]+ dm/z=2.0340
2.0
0.0
0
0.0
0
329
325
-1
MS1 annotation
[M+H]+ [M+K]+ dm/z=37.9617
2.0
0.0
0
0.0
0
329
349
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9769
3.0
0.0
0
0.0
0
1065
1066
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9804
2.0
0.0
0
0.0
0
1864
1865
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0245
3.0
0.0
0
0.0
0
1089
1090
-1
MS1 annotation
[M+NH4]+ [2M+2H]+2 dm/z=17.0235
2.0
0.0
0
0.0
0
5137
5135
-1
MS1 annotation
[M+K]+ [2M-2H2O+2H]+2 dm/z=55.9647
3.0
0.0
0
0.0
0
3858
3877
-1
MS1 annotation
[2M+NH4]+ [M+H]+ dm/z=432.3150
4.0
0.0
0
0.0
0
550
551
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9741
2.0
0.0
0
0.0
0
4444
4442
-1
MS1 annotation
[2M+Na]+ [M+NH4]+ dm/z=478.2926
3.0
0.0
0
0.0
0
581
582
-1
MS1 annotation
[2M+H]+ [M-H2O+NH4]+ dm/z=315.9648
2.0
0.0
0
0.0
0
2875
2880
-1
MS1 annotation
[M+Na]+ [M+H]+ dm/z=21.9871
3.0
0.0
0
0.0
0
3078
3083
-1
MS1 annotation
[M+NH4]+ [M+H]+ dm/z=17.0268
7.0
0.0
0
0.0
0
4400
4402
-1
MS1 annotation
[M+K]+ [M+Na]+ dm/z=15.9702
6.0
0.0
0
0.0
0
3234
3176
-1
MS1 annotation
[M-H+2Na]+ [M-H2O+H]+ dm/z=61.9735
2.0
0.0
0
0.0
0
2517
2521
-1
MS1 annotation
[M+NH4]+ [M+Na]+ dm/z=4.9467
2.0
0.0
0
0.0
0
349
311
-1
MS1 annotation
[2M+H]+ [M+K]+ dm/z=407.7967
3.0
0.0
0
0.0
0
349
325
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9848
3.0
0.0
0
0.0
0
815
784
-1
MS1 annotation
[M-2H2O+H]+ [M-H+2Na]+ dm/z=79.9679
2.0
0.0
0
0.0
0
1693
1686
-1
MS1 annotation
[M+NH4]+ [M-H2O+H]+ dm/z=35.0315
5.0
0.0
0
0.0
0
3018
3020
-1
MS1 annotation
[M-H2O+H]+ [M+K]+ dm/z=55.9670
4.0
0.0
0
0.0
0
3176
3171
-1
MS1 annotation
[2M-2H2O+H]+ [M+NH4]+ dm/z=92.0881
2.0
0.0
0
0.0
0
1102
1103
-1
MS1 annotation
[M+K]+ [M+NH4]+ dm/z=20.9318
2.0
0.0
0
0.0
0
1996
1995
-1
MS1 annotation
[M+H]+ [M+Na]+ dm/z=21.9820
3.0
0.0
0
0.0
0
3290
3286
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9711
3.0
0.0
0
0.0
0
5631
5588
-1
MS1 annotation
[M-2H2O+NH4]+ [M+Na]+ dm/z=40.9856
2.0
0.0
0
0.0
0
158
215
-1
MS1 annotation
[2M-2H2O+K]+ [M+H]+ dm/z=455.6893
2.0
0.0
0
0.0
0
3265
3210
-1
MS1 annotation
[M+Na]+ [M-2H2O+K]+ dm/z=20.0375
3.0
0.0
0
0.0
0
3083
3070
-1
MS1 annotation
[M+NH4]+ [M-2H2O+H]+ dm/z=53.0466
7.0
0.0
0
0.0
0
325
311
-1
MS1 annotation
[2M+Na]+ [M+K]+ dm/z=429.7815
3.0
0.0
0
0.0
0
103
108
-1
MS1 annotation
[M-2H2O+H]+ [M-H+2Na]+ dm/z=79.9751
3.0
0.0
0
0.0
0
103
166
-1
MS1 annotation
[M-H2O+H]+ [M-H+2Na]+ dm/z=61.9896
3.0
0.0
0
0.0
0
331
369
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9786
3.0
0.0
0
0.0
0
5879
5874
-1
MS1 annotation
[2M+H]+ [M+Na]+ dm/z=315.3469
3.0
0.0
0
0.0
0
1399
1391
-1
MS1 annotation
[M+Na]+ [M-H2O+K]+ dm/z=2.0261
2.0
0.0
0
0.0
0
1492
1505
-1
MS1 annotation
[M+Na]+ [M+K]+ dm/z=15.9755
3.0
0.0
0
0.0
0
108
91
-1
MS1 annotation
[M+H]+ [M-2H2O+NH4]+ dm/z=18.9911
2.0
0.0
0
0.0
0
1453
1450
-1
MS1 annotation
[M+Na]+ [M+NH4]+ dm/z=4.9570
4.0
0.0
0
0.0
0
5817
5689
-1
MS1 annotation
[M+NH4]+ [2M-2H2O+2H]+2 dm/z=35.0402
2.0
0.0
0
0.0
0
4430
4402
-1
MS1 annotation
[M-2H2O+Na]+ [M+K]+ dm/z=51.9777
6.0
0.0
0
0.0
0
4430
4431
-1
MS1 annotation
[2M+2H]+2 [M-2H2O+Na]+ dm/z=14.0361
6.0
0.0
0
0.0
0
2770
2759
-1
MS1 annotation
[M+H]+ [2M-2H2O+Na]+ dm/z=110.0779
2.0