flow_filelinking.yaml 0000644 0000000 0000000 00000012033 14624053414 013764 0 ustar root root - parameter: inputfeatures
target: inputfeatures/PA_metabo_quant.csv
- parameter: inputspectra
target: inputspectra/PA_metabo.mgf
- parameter: metadata_filename
target: metadata_filename/metadata_table-00000_attributed.tsv
- 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/GNPS-EMBL-MCF.mgf
- parameter: input_libraries
target: input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf
- parameter: input_libraries
target: input_libraries/GNPS-LIBRARY.mgf
- parameter: input_libraries
target: input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf
- parameter: input_libraries
target: input_libraries/MONA.mgf
- parameter: input_libraries
target: input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf
- parameter: input_libraries
target: input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf
- parameter: input_libraries
target: input_libraries/PNNL-LIPIDS-POSITIVE.mgf
- parameter: input_libraries
target: input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf
- parameter: input_libraries
target: input_libraries/UM-NPDC.mgf
- parameter: input_libraries
target: input_libraries/LDB_POSITIVE.mgf
- parameter: input_libraries
target: input_libraries/MASSBANKEU.mgf
- parameter: input_libraries
target: input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf
- parameter: input_libraries
target: input_libraries/GNPS-COLLECTIONS-MISC.mgf
- parameter: input_libraries
target: input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf
- parameter: input_libraries
target: input_libraries/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/CMMC-LIBRARY.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
input_libraries/ 0000755 0000000 0000000 00000000000 14624053414 012752 5 ustar root root input_libraries/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 035622 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-ESTERS-C4-C24-LIBRARY.mgf ustar root root input_libraries/XANTHONES-DB.mgf 0000777 0000000 0000000 00000000000 14624053414 031240 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/XANTHONES-DB.mgf ustar root root input_libraries/MONA.mgf 0000777 0000000 0000000 00000000000 14624053414 027040 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MONA.mgf ustar root root input_libraries/GNPS-PRESTWICKPHYTOCHEM.mgf 0000777 0000000 0000000 00000000000 14624053414 034556 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-PRESTWICKPHYTOCHEM.mgf ustar root root input_libraries/PNNL-LIPIDS-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 033436 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-NEGATIVE.mgf ustar root root input_libraries/MMV_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 031416 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_NEGATIVE.mgf ustar root root input_libraries/GNPS-MSMLS.mgf 0000777 0000000 0000000 00000000000 14624053414 030654 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-MSMLS.mgf ustar root root input_libraries/ELIXDB-LICHEN-DATABASE.mgf 0000777 0000000 0000000 00000000000 14624053414 033676 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ELIXDB-LICHEN-DATABASE.mgf ustar root root input_libraries/GNPS-D2-AMINO-LIPID-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 035204 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-D2-AMINO-LIPID-LIBRARY.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 14624053414 042136 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.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 14624053414 042725 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVustar root root input_libraries/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 035514 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/ECG-ACYL-AMIDES-C4-C24-LIBRARY.mgf ustar root root input_libraries/PNNL-LIPIDS-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 033536 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PNNL-LIPIDS-POSITIVE.mgf ustar root root input_libraries/MMV_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 031516 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MMV_POSITIVE.mgf ustar root root input_libraries/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 036542 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SAM-SIK-KANG-LEGACY-LIBRARY.mgf ustar root root input_libraries/LEAFBOT.mgf 0000777 0000000 0000000 00000000000 14624053414 027704 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LEAFBOT.mgf ustar root root input_libraries/BILELIB19.mgf 0000777 0000000 0000000 00000000000 14624053414 030204 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BILELIB19.mgf ustar root root input_libraries/IQAMDB.mgf 0000777 0000000 0000000 00000000000 14624053414 027446 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/IQAMDB.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART1.mgf 0000777 0000000 0000000 00000000000 14624053414 034756 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART1.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION2.mgf 0000777 0000000 0000000 00000000000 14624053414 035546 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION2.mgf ustar root root input_libraries/GNPS-COLLECTIONS-MISC.mgf 0000777 0000000 0000000 00000000000 14624053414 033704 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-MISC.mgf ustar root root input_libraries/RESPECT.mgf 0000777 0000000 0000000 00000000000 14624053414 027766 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/RESPECT.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 14624053414 043025 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVustar root root input_libraries/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 035754 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-NEGATIVE-LIBRARY.mgf ustar root root input_libraries/GNPS-IOBA-NHC.mgf 0000777 0000000 0000000 00000000000 14624053414 031326 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-IOBA-NHC.mgf ustar root root input_libraries/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf 0000777 0000000 0000000 00000000000 14624053414 040142 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/TUEBINGEN-NATURAL-PRODUCT-COLLECTION.mgf ustar root root input_libraries/PSU-MSMLS.mgf 0000777 0000000 0000000 00000000000 14624053414 030454 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PSU-MSMLS.mgf ustar root root input_libraries/GNPS-EMBL-MCF.mgf 0000777 0000000 0000000 00000000000 14624053414 031332 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-EMBL-MCF.mgf ustar root root input_libraries/GNPS-NIH-CLINICALCOLLECTION1.mgf 0000777 0000000 0000000 00000000000 14624053414 035544 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-CLINICALCOLLECTION1.mgf ustar root root input_libraries/DRUGS-OF-ABUSE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 034026 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DRUGS-OF-ABUSE-LIBRARY.mgf ustar root root input_libraries/MASSBANK.mgf 0000777 0000000 0000000 00000000000 14624053414 030152 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANK.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 040206 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-POSITIVE.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-POS.mgf 0000777 0000000 0000000 00000000000 14624053414 034260 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-POS.mgf ustar root root input_libraries/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 036754 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf ustar root root input_libraries/GNPS-NIST14-MATCHES.mgf 0000777 0000000 0000000 00000000000 14624053414 033076 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NIST14-MATCHES.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-NEG.mgf 0000777 0000000 0000000 00000000000 14624053414 034374 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-NEG.mgf ustar root root input_libraries/BERKELEY-LAB.mgf 0000777 0000000 0000000 00000000000 14624053414 031150 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BERKELEY-LAB.mgf ustar root root input_libraries/MSNLIB-POSITIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 032224 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-POSITIVE.mgf ustar root root input_libraries/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 037026 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DEREPLICATOR_IDENTIFIED_LIBRARY.mgf ustar root root input_libraries/PHENOLICSDB.mgf 0000777 0000000 0000000 00000000000 14624053414 031040 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/PHENOLICSDB.mgf ustar root root input_libraries/GNPS-FAULKNERLEGACY.mgf 0000777 0000000 0000000 00000000000 14624053414 033256 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-FAULKNERLEGACY.mgf ustar root root input_libraries/LDB_NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 031322 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_NEGATIVE.mgf ustar root root input_libraries/GNPS-SELLECKCHEM-FDA-PART2.mgf 0000777 0000000 0000000 00000000000 14624053414 034760 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SELLECKCHEM-FDA-PART2.mgf ustar root root input_libraries/CASMI.mgf 0000777 0000000 0000000 00000000000 14624053414 027244 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CASMI.mgf ustar root root input_libraries/CMMC-REFRAME-POSITIVE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 036054 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-REFRAME-POSITIVE-LIBRARY.mgf ustar root root input_libraries/CMMC-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 031216 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/CMMC-LIBRARY.mgf ustar root root input_libraries/MASSBANKEU.mgf 0000777 0000000 0000000 00000000000 14624053414 030636 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MASSBANKEU.mgf ustar root root input_libraries/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 040106 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf ustar root root input_libraries/MIADB.mgf 0000777 0000000 0000000 00000000000 14624053414 027204 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MIADB.mgf ustar root root input_libraries/GNPS-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 031276 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-LIBRARY.mgf ustar root root input_libraries/GNPS-SCIEX-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 033020 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-SCIEX-LIBRARY.mgf ustar root root input_libraries/GNPS-NUTRI-METAB-FEM-POS.mgf 0000777 0000000 0000000 00000000000 14624053414 034454 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/GNPS-NUTRI-METAB-FEM-POS.mgf ustar root root input_libraries/BIRMINGHAM-UHPLC-MS-NEG.mgf 0000777 0000000 0000000 00000000000 14624053414 034200 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BIRMINGHAM-UHPLC-MS-NEG.mgf ustar root root input_libraries/HMDB.mgf 0000777 0000000 0000000 00000000000 14624053414 027000 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HMDB.mgf ustar root root input_libraries/BMDMS-NP.mgf 0000777 0000000 0000000 00000000000 14624053414 030106 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/BMDMS-NP.mgf ustar root root input_libraries/DMIM-DRUG-METABOLITE-LIBRARY.mgf 0000777 0000000 0000000 00000000000 14624053414 035600 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/DMIM-DRUG-METABOLITE-LIBRARY.mgf ustar root root input_libraries/LDB_POSITIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 031422 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/LDB_POSITIVE.mgf ustar root root input_libraries/UM-NPDC.mgf 0000777 0000000 0000000 00000000000 14624053414 027662 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/UM-NPDC.mgf ustar root root input_libraries/HCE-CELL-LYSATE-LIPIDS.mgf 0000777 0000000 0000000 00000000000 14624053414 033746 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/HCE-CELL-LYSATE-LIPIDS.mgf ustar root root input_libraries/NEO-MSMS.mgf 0000777 0000000 0000000 00000000000 14624053414 030150 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/NEO-MSMS.mgf ustar root root input_libraries/MSNLIB-NEGATIVE.mgf 0000777 0000000 0000000 00000000000 14624053414 032124 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/MSNLIB-NEGATIVE.mgf ustar root root input_libraries/SUMNER.mgf 0000777 0000000 0000000 00000000000 14624053414 027576 2/data/nf_data/spectrallibraries/server/MGF/LC/LIBRARY/SUMNER.mgf ustar root root input_raw_spectra/ 0000755 0000000 0000000 00000000000 14624053414 013310 5 ustar root root input_supplemental_edges/ 0000755 0000000 0000000 00000000000 14624053414 014656 5 ustar root root inputfeatures/ 0000755 0000000 0000000 00000000000 14624053414 012455 5 ustar root root inputfeatures/PA_metabo_quant.csv 0000777 0000000 0000000 00000000000 14624053414 033206 2/data/nf_data/useruploads/pmallard/BEFRI/PA_metabo/PA_metabo_quant.csv ustar root root inputspectra/ 0000755 0000000 0000000 00000000000 14624053414 012300 5 ustar root root inputspectra/PA_metabo.mgf 0000777 0000000 0000000 00000000000 14624053414 030345 2/data/nf_data/useruploads/pmallard/BEFRI/PA_metabo/PA_metabo.mgf ustar root root job_dag.html 0000644 0000000 0000000 00000021514 14624054141 012033 0 ustar root root
Nextflow Cytoscape.js with Dagre
Nextflow Cytoscape.js with Dagre
job_parameters.yaml 0000644 0000000 0000000 00000002535 14624053414 013445 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: 8ae7cbc7f3194168b839b8fddb86de8c
OMETAUSER: pmallard
create_time: 2024-05-24 02:07:00 PDT-0700
description: FBMN_PA_metabo
featurefindingtool: MZMINE
fragment_tolerance: '0.1'
input_libraries: /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/input_libraries
input_raw_spectra: NO_FILE
input_supplemental_edges: NO_FILE
inputfeatures: /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/inputfeatures/PA_metabo_quant.csv
inputspectra: /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/inputspectra
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/8ae7cbc7f3194168b839b8fddb86de8c/metadata_filename/metadata_table-00000_attributed.tsv
min_peak_intensity: '0.0'
networking_max_shift: '1999'
networking_min_cosine: '0.7'
networking_min_matched_peaks: '6'
normalization: None
pm_tolerance: '0.1'
precursor_filter: 'yes'
publishdir: /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c
task: 8ae7cbc7f3194168b839b8fddb86de8c
window_filter: 'yes'
workflow_version: SERVER:0.1.2;WORKFLOW:2024.05.20
workflowname: feature_based_molecular_networking_workflow
job_report.html 0000644 0000000 0000000 00013707165 14624054141 012634 0 ustar root root
[wise_sinoussi] Nextflow Workflow Report
Nextflow Report
Nextflow workflow report
[wise_sinoussi]
Workflow execution completed successfully!
Run times
24-May-2024 09:07:03 - 24-May-2024 09:12:41
( duration: 5m 38s )
136 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/8ae7cbc7f3194168b839b8fddb86de8c/job_parameters.yaml -w /data/nf_data/server/nf_work/8ae7cbc7f3194168b839b8fddb86de8c -with-report /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/job_report.html -with-timeline /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/job_dag.html -with-weblog 'http://localhost:4000/nf_weblog/8ae7cbc7f3194168b839b8fddb86de8c' -c /app/launchserver/nextflow.config
CPU-Hours
0.3
Launch directory
/data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c
Work directory
/data/nf_data/server/nf_work/8ae7cbc7f3194168b839b8fddb86de8c
Project directory
/app/workflows_user/feature_based_molecular_networking_workflow
Script name
nf_workflow.nf
Script ID
7e0a32c1a85f47d9d7b672580d0f5461
Workflow session
b6d3c158-c51a-4ce9-8c8a-fcfd9dee0a70
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 00001073664 14624054141 013124 0 ustar root root
Processes execution timeline
Launch time:
Elapsed time:
Legend: job wall time / memory usage (RAM)
metadata_filename/ 0000755 0000000 0000000 00000000000 14624053414 013177 5 ustar root root metadata_filename/metadata_table-00000_attributed.tsv 0000777 0000000 0000000 00000000000 14624053414 041322 2/data/nf_data/useruploads/pmallard/BEFRI/PA_metabo/metadata_table-00000_attributed.tsv ustar root root nextflow_stdout.log 0000644 0000000 0000000 00000175203 14624054142 013541 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` [wise_sinoussi] - revision: 7e0a32c1a8
[- ] process > filesummary -
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executor > local (14)
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executor > local (65)
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executor > local (67)
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executor > local (67)
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executor > local (67)
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executor > local (67)
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executor > local (67)
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executor > local (67)
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executor > local (67)
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executor > local (79)
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executor > local (108)
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executor > local (130)
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executor > local (130)
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executor > local (131)
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executor > local (131)
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executor > local (131)
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executor > local (131)
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[d2/96cb4b] process > summaryLibrary (55) [ 98%] 61 of 62
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executor > local (131)
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executor > local (131)
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[d2/96cb4b] process > summaryLibrary (55) [ 98%] 61 of 62
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > createNetworkGraphML -
executor > local (131)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
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[03/621b4f] process > librarySearchData (34) [ 91%] 57 of 62
[- ] process > librarymergeResults -
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[e6/3d0bc0] process > librarySearchData (24) [ 93%] 58 of 62
[- ] process > librarymergeResults -
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ac/0fb6f7] process > librarySearchData (9) [ 95%] 59 of 62
[- ] process > librarymergeResults -
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[86/6357f2] process > librarySearchData (62) [ 96%] 60 of 62
[- ] process > librarymergeResults -
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (132)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[f2/fd1542] process > librarySearchData (49) [ 98%] 61 of 62
[- ] process > librarymergeResults -
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (133)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [ 0%] 0 of 1
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (133)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [ 0%] 0 of 1
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[- ] process > librarygetGNPSAnnotations -
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (134)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (134)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [ 0%] 0 of 1
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[- ] process > enrichClusterSummary -
[- ] process > createNetworkGraphML -
executor > local (135)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[28/34fbfe] process > enrichClusterSummary (1) [ 0%] 0 of 1
[- ] process > createNetworkGraphML -
executor > local (135)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[28/34fbfe] process > enrichClusterSummary (1) [ 0%] 0 of 1
[- ] process > createNetworkGraphML -
executor > local (136)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[28/34fbfe] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[92/3e841c] process > createNetworkGraphML (1) [ 0%] 0 of 1
executor > local (136)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[28/34fbfe] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[92/3e841c] process > createNetworkGraphML (1) [ 0%] 0 of 1
executor > local (136)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[28/34fbfe] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[92/3e841c] process > createNetworkGraphML (1) [100%] 1 of 1 ✔
executor > local (136)
[2f/49b05e] process > filesummary (1) [100%] 1 of 1 ✔
[0d/45beb8] process > quantification_table_reform... [100%] 1 of 1 ✔
[36/4b70d8] process > filter_spectra (1) [100%] 1 of 1 ✔
[ce/0a2ee7] process > librarySearchData (4) [100%] 62 of 62 ✔
[60/20d59f] process > librarymergeResults [100%] 1 of 1 ✔
[89/b5f522] process > summaryLibrary (3) [100%] 62 of 62 ✔
[c9/c3795a] process > librarygetGNPSAnnotations (1) [100%] 1 of 1 ✔
[b3/198dab] process > networkingGNPSPrepParams (1) [100%] 1 of 1 ✔
[8d/0cd58f] process > calculatePairs (1) [100%] 1 of 1 ✔
[ef/bec711] process > filterNetwork (1) [100%] 1 of 1 ✔
[e8/8cd398] process > createMetadataFile [100%] 1 of 1 ✔
[3f/bd3cc9] process > calculateGroupings (1) [100%] 1 of 1 ✔
[28/34fbfe] process > enrichClusterSummary (1) [100%] 1 of 1 ✔
[92/3e841c] process > createNetworkGraphML (1) [100%] 1 of 1 ✔
Completed at: 24-May-2024 09:12:41
Duration : 5m 38s
CPU hours : 0.3
Succeeded : 136
nf_cmd.sh 0000644 0000000 0000000 00000001201 14624053414 011333 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/8ae7cbc7f3194168b839b8fddb86de8c/job_parameters.yaml -w /data/nf_data/server/nf_work/8ae7cbc7f3194168b839b8fddb86de8c -with-report /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/job_report.html -with-timeline /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/job_timeline.html -with-dag /data/nf_data/server/nf_tasks/8ae7cbc7f3194168b839b8fddb86de8c/job_dag.html -with-weblog http://localhost:4000/nf_weblog/8ae7cbc7f3194168b839b8fddb86de8c -c /app/launchserver/nextflow.config nf_output/ 0000755 0000000 0000000 00000000000 14624054135 011603 5 ustar root root nf_output/networking/ 0000755 0000000 0000000 00000000000 14624054141 013767 5 ustar root root nf_output/networking/merged_pairs.tsv 0000644 0000000 0000000 00002427012 14624053453 017203 0 ustar root root CLUSTERID1 CLUSTERID2 DeltaMZ MinRatio Cosine AlignScore2 AlignScore3
1 2 0.000 0.000 0.9404 0.6143 1
1 25 -1.995 0.000 0.8358 0.6863 1
1 113 15.995 0.000 0.9318 0.6345 1
1 2373 -15.995 0.000 0.9226 0.6777 1
2 25 -1.995 0.000 0.8504 0.6642 1
2 113 15.995 0.000 0.9760 0.9053 1
2 2373 -15.995 0.000 0.9626 0.7002 1
3 20 0.984 0.000 0.9376 0.6901 1
3 508 0.927 0.000 0.7387 0.2316 1
3 766 4.969 0.000 0.7886 0.2877 1
3 2966 86.016 0.000 0.9184 0.4802 1
4 6 -28.031 0.000 0.9931 0.9209 1
4 9 -26.016 0.000 0.8815 0.4882 1
4 12 -259.157 0.000 0.9780 0.9339 1
4 21 2.016 0.000 0.8708 0.4778 1
4 27 -14.016 0.000 0.9925 0.8898 1
4 41 84.094 0.000 0.8604 0.5280 1
4 54 -54.047 0.000 0.8611 0.4584 1
4 61 28.031 0.000 0.9786 0.8623 1
4 86 44.063 0.000 0.8410 0.5009 1
4 89 38.142 0.000 0.8380 0.3634 1
4 92 -12.000 0.000 0.8823 0.4901 1
4 120 42.047 0.000 0.9800 0.8291 1
4 140 -12.036 0.000 0.9122 0.4497 1
4 142 -10.021 0.000 0.9027 0.7343 1
4 152 -66.882 0.000 0.7328 0.1907 1
4 178 14.016 0.000 0.9901 0.9278 1
4 180 16.031 0.000 0.8392 0.4384 1
4 189 70.078 0.000 0.8947 0.7028 1
4 203 -42.010 0.000 0.8091 0.4751 1
4 225 -56.063 0.000 0.9926 0.9349 1
4 234 -28.031 0.000 0.7091 0.7048 1
4 281 -30.010 0.000 0.8412 0.4480 1
4 282 -15.995 0.000 0.9372 0.7665 1
4 288 60.057 0.000 0.8433 0.3782 1
4 382 102.072 0.000 0.7394 0.4304 1
4 400 -15.994 0.000 0.7160 0.4701 1
4 446 -518.315 0.000 0.9587 0.8991 1
4 452 58.078 0.000 0.7719 0.3787 1
4 458 30.047 0.000 0.8164 0.3811 1
4 512 32.026 0.000 0.9025 0.4813 1
4 514 -13.979 0.000 0.8109 0.4485 1
4 600 -40.031 0.000 0.8370 0.4199 1
4 648 -38.052 0.000 0.9234 0.4803 1
4 679 -42.047 0.000 0.9823 0.8259 1
4 680 -122.146 0.000 0.9424 0.8130 1
4 690 -24.000 0.000 0.7128 0.3389 1
4 711 17.088 0.000 0.7210 0.4116 1
4 722 73.042 0.000 0.8176 0.2763 1
4 736 -3.937 0.000 0.7211 0.4513 1
4 758 -70.042 0.000 0.7082 0.3407 1
4 890 -13.979 0.000 0.8871 0.4740 1
4 956 -40.068 0.000 0.9125 0.4127 1
4 1018 -82.078 0.000 0.8815 0.4780 1
4 1047 -94.115 0.000 0.9322 0.7747 1
4 1075 -15.011 0.000 0.8143 0.4451 1
4 1123 1.979 0.000 0.9315 0.8286 1
4 1155 60.037 0.000 0.8197 0.3032 1
4 1229 -13.979 0.000 0.8120 0.4057 1
4 1239 -26.015 0.000 0.8048 0.3612 1
4 1333 -38.052 0.000 0.8580 0.3550 1
4 1514 -29.974 0.000 0.7198 0.2770 1
4 1705 -30.010 0.000 0.7166 0.3804 1
4 1724 2.016 0.000 0.8220 0.3050 1
4 1768 -68.098 0.000 0.9028 0.3791 1
4 1775 -80.063 0.000 0.7827 0.3357 1
4 1828 -66.083 0.000 0.9324 0.7979 1
4 1892 -27.995 0.000 0.7440 0.3910 1
4 1938 79.031 0.000 0.7515 0.2505 1
4 1962 -42.011 0.000 0.8641 0.2996 1
4 2126 2.016 0.000 0.8330 0.5464 1
4 2193 -26.016 0.000 0.8564 0.4381 1
4 2299 3.995 0.000 0.8812 0.5700 1
4 2339 -84.094 0.000 0.9422 0.5186 1
4 2419 56.063 0.000 0.9649 0.7903 1
4 2492 46.042 0.000 0.8291 0.2866 1
4 2504 -64.068 0.000 0.8273 0.4389 1
4 2512 -36.036 0.000 0.8782 0.4802 1
4 2557 -54.047 0.000 0.8235 0.5207 1
4 2558 -68.062 0.000 0.7715 0.2703 1
4 2559 -52.066 0.000 0.9060 0.4652 1
4 2569 2.016 0.000 0.9160 0.6328 1
4 2985 -26.052 0.000 0.8715 0.4418 1
4 2987 -24.036 0.000 0.9071 0.7089 1
4 3001 -42.010 0.000 0.8241 0.4178 1
4 3204 -24.036 0.000 0.8834 0.3876 1
4 3408 -54.083 0.000 0.7141 0.2527 1
4 3480 -138.141 0.000 0.8353 0.3187 1
4 3536 -15.995 0.000 0.8370 0.3438 1
5 10 -146.059 0.000 0.8919 0.7073 1
5 15 -28.032 0.000 0.8541 0.7669 1
5 23 -26.017 0.000 0.8370 0.7600 1
5 46 -172.073 0.000 0.7111 0.5358 1
5 64 163.085 0.000 0.8520 0.7724 1
5 70 -14.017 0.000 0.8512 0.7783 1
5 74 28.030 0.000 0.8482 0.8224 1
5 82 -504.327 0.000 0.9309 0.8519 1
5 98 163.084 0.000 0.8627 0.8001 1
5 104 -796.446 0.000 0.7374 0.5272 1
5 183 135.053 0.000 0.7064 0.7042 1
5 208 135.053 0.000 0.7172 0.7092 1
5 212 17.027 0.000 0.9318 0.8781 1
5 242 -129.032 0.000 0.9074 0.7818 1
5 255 14.015 0.000 0.8192 0.7400 1
5 319 146.058 0.000 0.9020 0.8514 1
5 350 146.057 0.000 0.9054 0.8588 1
5 353 369.236 0.000 0.7110 0.6009 1
5 421 181.096 0.000 0.8108 0.7209 1
5 453 -157.063 0.000 0.7261 0.5992 1
5 474 -56.064 0.000 0.7356 0.6986 1
5 487 351.226 0.000 0.7229 0.7053 1
5 570 118.026 0.000 0.7036 0.6500 1
5 591 137.069 0.000 0.7115 0.6580 1
5 647 369.236 0.000 0.7063 0.6120 1
5 721 351.225 0.000 0.7218 0.7169 1
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1034 2211 -87.032 0.000 0.8204 0.5721 1
1034 2919 -45.021 0.000 0.8433 0.5389 1
1034 3050 -74.995 0.000 0.7353 0.4980 1
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1035 1339 -131.092 0.000 0.8270 0.6213 1
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1035 2219 33.984 0.000 0.9010 0.5431 1
1035 2929 -131.092 0.000 0.7606 0.5038 1
1035 2935 147.068 0.000 0.7325 0.5617 1
1035 2942 131.037 0.000 0.7170 0.4867 1
1035 3028 -163.118 0.000 0.7206 0.4196 1
1035 3077 -197.105 0.000 0.7511 0.4874 1
1035 3211 -133.107 0.000 0.7755 0.5573 1
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1040 1270 -85.017 0.000 0.7358 0.4992 1
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1040 2773 15.958 0.000 0.7303 0.2972 1
1040 3596 102.068 0.000 0.7084 0.3626 1
1040 3862 102.068 0.000 0.7092 0.3640 1
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1041 1487 -4.018 0.000 0.7484 0.6250 1
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1042 1176 292.115 0.000 0.7696 0.4780 1
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1045 2773 -14.016 0.000 0.8162 0.6075 1
1045 2947 31.085 0.000 0.7371 0.4862 1
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1045 3662 -33.887 0.000 0.9069 0.5046 1
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1046 1349 -88.053 0.000 0.9529 0.9034 1
1046 1440 -220.132 0.000 0.7468 0.5874 1
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1046 3938 -220.131 0.000 0.8601 0.7476 1
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1046 4133 -260.199 0.000 0.8677 0.7620 1
1046 4153 -216.173 0.000 0.7963 0.5081 1
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1047 1229 80.137 0.000 0.8025 0.3946 1
1047 1239 68.100 0.000 0.8808 0.3819 1
1047 1333 56.063 0.000 0.9013 0.3690 1
1047 1514 64.142 0.000 0.7085 0.2891 1
1047 1724 96.131 0.000 0.8421 0.2798 1
1047 1775 14.053 0.000 0.8020 0.4007 1
1047 1828 28.032 0.000 0.9939 0.9129 1
1047 1892 66.121 0.000 0.7274 0.4314 1
1047 1938 173.147 0.000 0.7765 0.2485 1
1047 1962 52.105 0.000 0.8617 0.3184 1
1047 2126 96.131 0.000 0.8747 0.6590 1
1047 2193 68.100 0.000 0.8501 0.4710 1
1047 2299 98.111 0.000 0.9172 0.5911 1
1047 2492 140.157 0.000 0.8470 0.2674 1
1047 2504 30.048 0.000 0.8880 0.5865 1
1047 2512 58.079 0.000 0.8842 0.5382 1
1047 2557 40.068 0.000 0.8675 0.5345 1
1047 2558 26.053 0.000 0.7573 0.2567 1
1047 2559 42.049 0.000 0.9398 0.5212 1
1047 2569 96.131 0.000 0.9347 0.5406 1
1047 2612 83.964 0.000 0.8502 0.6207 1
1047 2985 68.063 0.000 0.8938 0.4315 1
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1047 3408 40.032 0.000 0.7512 0.2711 1
1047 3600 68.100 0.000 0.8677 0.6262 1
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1047 3960 14.016 0.000 0.9882 0.8301 1
1048 1068 -33.984 0.000 0.7715 0.5260 1
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1048 2192 46.031 0.000 0.7012 0.3198 1
1049 1690 -12.000 0.000 0.7294 0.8235 1
1049 1979 49.053 0.000 0.8625 0.7616 1
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1049 2203 30.047 0.000 0.7018 0.5696 1
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1055 1254 -44.026 0.000 0.9683 0.9118 1
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1055 3612 -37.928 0.000 0.7878 0.4831 1
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1057 2982 11.005 0.000 0.7365 0.2148 1
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1065 1139 14.016 0.000 0.7328 0.4290 1
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1072 1799 -104.048 0.000 0.7225 0.5447 1
1072 1817 -132.079 0.000 0.8938 0.6930 1
1072 2213 20.114 0.000 0.7727 0.4078 1
1072 2226 64.140 0.000 0.7833 0.4528 1
1072 2270 132.079 0.000 0.9131 0.8732 1
1072 3203 108.167 0.000 0.7867 0.4307 1
1072 3612 -111.965 0.000 0.7628 0.4678 1
1072 3665 152.193 0.000 0.7897 0.5286 1
1072 3938 -60.021 0.000 0.7713 0.6860 1
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1072 4153 -56.063 0.000 0.7528 0.4791 1
1075 3536 -0.984 0.000 0.8527 0.4778 1
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1080 2770 -9.065 0.000 0.7194 0.5227 1
1080 2928 -2.016 0.000 0.7449 0.5378 1
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1080 2936 -16.031 0.000 0.8274 0.5706 1
1080 2942 -0.036 0.000 0.7135 0.3362 1
1080 2945 -50.015 0.000 0.8409 0.5199 1
1080 3028 -294.190 0.000 0.7101 0.2737 1
1080 4193 49.983 0.000 0.7795 0.3023 1
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1085 1165 113.083 0.000 0.8093 0.4324 1
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1085 1466 -31.972 0.000 0.7576 0.6233 1
1085 2214 45.021 0.000 0.8940 0.6267 1
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1085 2982 53.048 0.000 0.7690 0.3238 1
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1086 2243 14.016 0.000 0.9319 0.4771 1
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1087 2770 41.004 0.000 0.7202 0.4059 1
1087 2935 66.064 0.000 0.7365 0.4110 1
1087 2942 50.033 0.000 0.7139 0.4001 1
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1087 4858 83.017 0.000 0.7227 0.4788 1
1090 1338 -69.047 0.000 0.7074 0.5566 1
1090 1774 0.000 0.000 0.9593 0.6614 1
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1090 3031 -196.121 0.000 0.7258 0.4194 1
1090 3054 -12.013 0.000 0.7275 0.5184 1
1090 3056 0.011 0.000 0.7090 0.6322 1
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1090 3139 -225.137 0.000 0.7346 0.6721 1
1090 3596 -54.036 0.000 0.7172 0.4548 1
1090 4193 -38.004 0.000 0.8011 0.5357 1
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1095 1155 -28.086 0.000 0.7019 0.4615 1
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1095 1398 32.919 0.000 0.7312 0.5043 1
1095 1437 -0.000 0.000 0.9277 0.7145 1
1095 1536 -25.029 0.000 0.7250 0.3998 1
1095 1874 9.003 0.000 0.7538 0.4036 1
1095 1938 -9.091 0.000 0.7517 0.4919 1
1095 2126 -86.107 0.000 0.7057 0.3328 1
1095 2299 -84.127 0.000 0.7030 0.2656 1
1095 2328 9.992 0.000 0.7424 0.2957 1
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1095 2569 -86.107 0.000 0.7092 0.3056 1
1095 4511 -41.060 0.000 0.7314 0.3769 1
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1096 1308 168.090 0.000 0.7323 0.4187 1
1096 1431 23.037 0.000 0.8641 0.4166 1
1096 1433 113.084 0.000 0.7837 0.5000 1
1096 1487 126.079 0.000 0.8506 0.5232 1
1096 1569 154.074 0.000 0.7696 0.3061 1
1096 1716 29.026 0.000 0.7499 0.4710 1
1096 1783 92.094 0.000 0.7548 0.3490 1
1096 2214 126.079 0.000 0.7644 0.4188 1
1096 2232 -61.983 0.000 0.7443 0.2928 1
1096 2264 -92.027 0.000 0.8920 0.6260 1
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1096 2600 55.006 0.000 0.7965 0.5140 1
1096 2967 67.043 0.000 0.8391 0.5153 1
1096 3047 -106.041 0.000 0.9047 0.6154 1
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1096 3130 78.963 0.000 0.7230 0.3291 1
1096 3140 49.052 0.000 0.7680 0.3197 1
1096 3214 120.089 0.000 0.7942 0.3797 1
1096 3308 7.005 0.000 0.7952 0.4326 1
1096 3364 133.046 0.000 0.7325 0.2704 1
1096 3928 40.990 0.000 0.7667 0.4854 1
1096 4183 210.137 0.000 0.7626 0.3572 1
1098 1992 41.027 0.000 0.7139 0.5590 1
1103 1210 27.999 0.000 0.8335 0.6731 1
1103 2188 129.058 0.000 0.8150 0.4774 1
1103 2298 42.015 0.000 0.8196 0.5321 1
1103 2327 27.999 0.000 0.8406 0.6524 1
1103 2500 -18.011 0.000 0.8460 0.5905 1
1103 2578 129.058 0.000 0.8100 0.5439 1
1103 2859 175.064 0.000 0.7259 0.5442 1
1103 3115 -117.079 0.000 0.8394 0.4998 1
1103 3246 175.064 0.000 0.7179 0.4603 1
1103 4101 34.000 0.000 0.8249 0.4777 1
1104 1155 30.026 0.000 0.8405 0.3132 1
1104 1229 -43.990 0.000 0.7790 0.3427 1
1104 1239 -56.026 0.000 0.8277 0.4002 1
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1104 1884 -30.011 0.000 0.7076 0.3783 1
1104 1892 -58.006 0.000 0.7028 0.2891 1
1104 1938 49.020 0.000 0.8168 0.3022 1
1104 1962 -72.021 0.000 0.8588 0.2915 1
1104 2193 -56.026 0.000 0.8075 0.3434 1
1104 2339 -114.104 0.000 0.9039 0.4364 1
1104 2492 16.031 0.000 0.8621 0.2863 1
1104 2504 -94.079 0.000 0.8541 0.4250 1
1104 2558 -98.073 0.000 0.7195 0.2203 1
1104 2559 -82.077 0.000 0.8996 0.4363 1
1104 2834 -10.907 0.000 0.7497 0.3704 1
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1104 3083 -44.026 0.000 0.8367 0.3779 1
1104 3130 -112.125 0.000 0.9484 0.3381 1
1104 3204 -54.047 0.000 0.8921 0.4100 1
1104 3300 -38.016 0.000 0.8636 0.5448 1
1104 3332 106.067 0.000 0.7618 0.3525 1
1105 1241 131.037 0.000 0.9196 0.7816 1
1105 1431 97.052 0.000 0.8983 0.4453 1
1105 1433 187.100 0.000 0.7805 0.5750 1
1105 1527 -57.021 0.000 0.8708 0.4786 1
1105 1783 166.110 0.000 0.7214 0.2767 1
1105 2232 12.033 0.000 0.7403 0.2813 1
1105 2264 -18.011 0.000 0.8847 0.5803 1
1105 2402 244.121 0.000 0.8202 0.6427 1
1105 3047 -32.026 0.000 0.9015 0.6391 1
1105 3140 123.067 0.000 0.8034 0.3478 1
1105 3308 81.020 0.000 0.8075 0.4144 1
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1110 2436 -56.060 0.000 0.7376 0.4756 1
1110 3361 -26.074 0.000 0.7311 0.3784 1
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1121 1431 -116.027 0.000 0.7925 0.3043 1
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1121 3308 -132.059 0.000 0.8311 0.3788 1
1121 3928 -98.074 0.000 0.7788 0.4187 1
1123 1155 58.058 0.000 0.8118 0.2963 1
1123 1189 100.032 0.000 0.7525 0.3541 1
1123 1229 -15.958 0.000 0.8057 0.4707 1
1123 1239 -27.994 0.000 0.8422 0.3765 1
1123 1333 -40.031 0.000 0.9002 0.3788 1
1123 1398 119.063 0.000 0.7842 0.2651 1
1123 1514 -31.953 0.000 0.7322 0.3530 1
1123 1705 -31.990 0.000 0.7073 0.3613 1
1123 1768 -70.077 0.000 0.9502 0.3750 1
1123 1775 -82.042 0.000 0.7851 0.4251 1
1123 1828 -68.062 0.000 0.9689 0.8658 1
1123 1892 -29.974 0.000 0.7308 0.3861 1
1123 1938 77.052 0.000 0.8127 0.2905 1
1123 1962 -43.990 0.000 0.8421 0.2664 1
1123 2126 0.036 0.000 0.8935 0.7331 1
1123 2193 -27.995 0.000 0.8209 0.4649 1
1123 2299 2.016 0.000 0.9155 0.6846 1
1123 2419 54.084 0.000 0.9078 0.6768 1
1123 2492 44.063 0.000 0.8494 0.2792 1
1123 2504 -66.047 0.000 0.8565 0.5275 1
1123 2512 -38.015 0.000 0.8829 0.5948 1
1123 2557 -56.026 0.000 0.8721 0.6290 1
1123 2558 -70.042 0.000 0.7508 0.2972 1
1123 2559 -54.045 0.000 0.9051 0.5149 1
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1123 2985 -28.031 0.000 0.9529 0.5654 1
1123 2987 -26.015 0.000 0.9476 0.7664 1
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1123 3600 -27.995 0.000 0.8839 0.7866 1
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1134 3602 -31.097 0.000 0.7470 0.6183 1
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1139 3115 -76.032 0.000 0.7761 0.4557 1
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1155 1775 -140.099 0.000 0.7495 0.4484 1
1155 1828 -126.120 0.000 0.7973 0.3160 1
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1246 3140 -81.048 0.000 0.8317 0.4018 1
1246 3214 -10.010 0.000 0.8230 0.4005 1
1246 3308 -123.095 0.000 0.8445 0.4495 1
1246 3343 -113.083 0.000 0.8024 0.5170 1
1246 3928 -89.110 0.000 0.8171 0.4605 1
1246 4093 1.943 0.000 0.7325 0.3897 1
1248 1360 8.062 0.000 0.8317 0.6648 1
1248 4603 14.016 0.000 0.8956 0.6960 1
1248 4973 63.995 0.000 0.8481 0.5313 1
1254 1285 146.094 0.000 0.7231 0.6944 1
1254 1304 102.068 0.000 0.7908 0.8027 1
1254 1335 264.158 0.000 0.8666 0.8634 1
1254 1362 74.037 0.000 0.7556 0.6970 1
1254 1440 58.042 0.000 0.8367 0.8012 1
1254 1582 30.011 0.000 0.8439 0.8265 1
1254 1749 -44.026 0.000 0.9511 0.8335 1
1254 1799 14.015 0.000 0.9696 0.8051 1
1254 1817 -14.015 0.000 0.9672 0.8051 1
1254 2213 138.178 0.000 0.8010 0.4343 1
1254 2226 182.204 0.000 0.8777 0.4384 1
1254 3203 226.230 0.000 0.7464 0.4137 1
1254 3612 6.099 0.000 0.7783 0.4585 1
1254 3665 270.257 0.000 0.7357 0.5083 1
1254 3938 58.042 0.000 0.7627 0.6616 1
1254 4132 -26.052 0.000 0.7059 0.4134 1
1254 4133 17.974 0.000 0.7208 0.6217 1
1254 4159 264.158 0.000 0.7832 0.5614 1
1256 1269 12.000 0.000 0.8801 0.4866 1
1256 1398 60.000 0.000 0.8300 0.5984 1
1256 1402 -26.922 0.000 0.7345 0.4785 1
1256 1437 27.081 0.000 0.7205 0.4807 1
1256 1487 -96.040 0.000 0.7685 0.3710 1
1256 1497 -49.998 0.000 0.7691 0.2933 1
1256 1536 2.052 0.000 0.8291 0.4426 1
1256 1569 -68.045 0.000 0.7166 0.2589 1
1256 1615 31.969 0.000 0.7615 0.5748 1
1256 1724 -59.026 0.000 0.7053 0.2715 1
1256 1768 -129.140 0.000 0.8465 0.3361 1
1256 1775 -141.104 0.000 0.7048 0.3986 1
1256 1783 -130.024 0.000 0.7053 0.3252 1
1256 1874 36.084 0.000 0.7688 0.4144 1
1256 1938 17.990 0.000 0.8097 0.4981 1
1256 1962 -103.052 0.000 0.7483 0.2475 1
1256 1965 -57.177 0.000 0.7123 0.1954 1
1256 1985 -74.021 0.000 0.8314 0.3351 1
1256 2083 41.042 0.000 0.7526 0.5631 1
1256 2126 -59.026 0.000 0.7887 0.4285 1
1256 2144 -68.045 0.000 0.7250 0.2929 1
1256 2193 -87.057 0.000 0.7332 0.4243 1
1256 2299 -57.046 0.000 0.8328 0.4066 1
1256 2369 59.055 0.000 0.7134 0.4115 1
1256 2419 -4.979 0.000 0.8055 0.5225 1
1256 2492 -15.000 0.000 0.7879 0.3594 1
1256 2504 -125.109 0.000 0.7686 0.4107 1
1256 2508 -115.089 0.000 0.7172 0.3610 1
1256 2512 -97.078 0.000 0.7718 0.4530 1
1256 2557 -115.089 0.000 0.7688 0.3770 1
1256 2559 -113.108 0.000 0.7426 0.2767 1
1256 2569 -59.026 0.000 0.8642 0.4439 1
1256 2764 -21.915 0.000 0.7583 0.4905 1
1256 2769 -134.007 0.000 0.7380 0.2341 1
1256 2803 -104.008 0.000 0.7356 0.3808 1
1256 2834 -41.938 0.000 0.7188 0.4839 1
1256 2859 79.042 0.000 0.7967 0.4755 1
1256 2966 60.073 0.000 0.7623 0.5528 1
1256 2982 -88.013 0.000 0.7310 0.2877 1
1256 2985 -87.094 0.000 0.7886 0.3459 1
1256 3001 -103.052 0.000 0.7244 0.3697 1
1256 3083 -75.057 0.000 0.7462 0.3255 1
1256 3105 -56.009 0.000 0.7138 0.3587 1
1256 3204 -85.078 0.000 0.7507 0.3165 1
1256 3246 79.042 0.000 0.8080 0.5032 1
1256 3300 -69.047 0.000 0.7705 0.4130 1
1256 3332 75.036 0.000 0.7581 0.4781 1
1256 3364 -89.073 0.000 0.8040 0.2884 1
1256 4511 -13.979 0.000 0.7927 0.4379 1
1256 4608 19.969 0.000 0.7326 0.3429 1
1260 1282 112.053 0.000 0.8125 0.4831 1
1260 2010 11.964 0.000 0.7262 0.4394 1
1260 3499 -22.021 0.000 0.7188 0.4834 1
1260 3660 -45.058 0.000 0.8879 0.8442 1
1265 1326 -46.042 0.000 0.8436 0.7861 1
1265 1346 0.000 0.000 0.8967 0.5609 1
1265 1645 -108.007 0.000 0.7071 0.7102 1
1265 1942 38.052 0.000 0.7689 0.5301 1
1265 2346 -46.042 0.000 0.7929 0.5800 1
1269 1398 48.000 0.000 0.8087 0.3655 1
1269 1402 -38.922 0.000 0.7610 0.4187 1
1269 1497 -61.998 0.000 0.8351 0.2607 1
1269 1536 -9.948 0.000 0.8718 0.2956 1
1269 1561 -97.208 0.000 0.8308 0.2410 1
1269 1615 19.969 0.000 0.7189 0.3827 1
1269 1724 -71.026 0.000 0.7849 0.3216 1
1269 1734 -393.188 0.000 0.7222 0.2773 1
1269 1783 -142.025 0.000 0.7473 0.2420 1
1269 1938 5.989 0.000 0.8096 0.3160 1
1269 1962 -115.052 0.000 0.7946 0.2222 1
1269 1965 -69.177 0.000 0.7757 0.1916 1
1269 1985 -86.021 0.000 0.9085 0.4727 1
1269 2083 29.042 0.000 0.8015 0.5828 1
1269 2126 -71.026 0.000 0.8468 0.3956 1
1269 2299 -69.047 0.000 0.8783 0.5300 1
1269 2369 47.055 0.000 0.7087 0.2834 1
1269 2419 -16.979 0.000 0.8759 0.5382 1
1269 2492 -27.000 0.000 0.8386 0.3757 1
1269 2539 -73.042 0.000 0.8973 0.3126 1
1269 2557 -127.089 0.000 0.8396 0.3720 1
1269 2610 -40.052 0.000 0.7213 0.3070 1
1269 2764 -33.915 0.000 0.7881 0.5295 1
1269 2769 -146.007 0.000 0.7968 0.2574 1
1269 2834 -53.938 0.000 0.7361 0.3053 1
1269 2859 67.042 0.000 0.8459 0.5388 1
1269 2982 -100.014 0.000 0.7814 0.2163 1
1269 2985 -99.094 0.000 0.8669 0.3771 1
1269 3001 -115.052 0.000 0.7544 0.3175 1
1269 3008 -115.954 0.000 0.7343 0.1998 1
1269 3083 -87.057 0.000 0.8137 0.3768 1
1269 3130 -155.156 0.000 0.9135 0.3132 1
1269 3140 -185.067 0.000 0.7025 0.2112 1
1269 3204 -97.078 0.000 0.8120 0.2964 1
1269 3246 67.042 0.000 0.8589 0.5393 1
1269 3308 -227.114 0.000 0.7281 0.2471 1
1269 3332 63.036 0.000 0.7942 0.5028 1
1269 3364 -101.073 0.000 0.8532 0.2416 1
1269 3408 -127.125 0.000 0.7147 0.2273 1
1269 3680 -88.061 0.000 0.9141 0.4518 1
1269 3922 -85.042 0.000 0.8174 0.3387 1
1269 3946 -15.000 0.000 0.9513 0.4958 1
1269 3947 -75.048 0.000 0.9255 0.4562 1
1269 4077 -37.943 0.000 0.7174 0.5026 1
1269 4093 -102.076 0.000 0.9197 0.4526 1
1269 4329 -492.256 0.000 0.7170 0.1840 1
1269 4511 -25.980 0.000 0.8303 0.3626 1
1269 4608 7.968 0.000 0.7632 0.3177 1
1269 5022 -393.188 0.000 0.7222 0.2773 1
1270 1825 -28.032 0.000 0.7368 0.3929 1
1270 2289 -62.016 0.000 0.7504 0.6135 1
1270 4929 -33.985 0.000 0.8959 0.8059 1
1271 1298 26.015 0.000 0.8630 0.3213 1
1271 1465 12.000 0.000 0.8180 0.2811 1
1271 1791 10.020 0.000 0.8597 0.3459 1
1273 1412 33.985 0.000 0.9096 0.4357 1
1273 1615 193.001 0.000 0.7067 0.3862 1
1273 1674 39.995 0.000 0.7079 0.4954 1
1273 2199 95.001 0.000 0.8138 0.4623 1
1273 2262 31.006 0.000 0.8048 0.3681 1
1273 2942 97.014 0.000 0.9322 0.5947 1
1277 1387 132.042 0.000 0.7543 0.4099 1
1277 1692 -70.077 0.000 0.8148 0.4310 1
1277 1848 -14.016 0.000 0.8227 0.3655 1
1285 1304 -44.026 0.000 0.9393 0.8471 1
1285 1349 44.026 0.000 0.9376 0.8214 1
1285 1362 -72.057 0.000 0.8102 0.8486 1
1285 1440 -88.053 0.000 0.8874 0.7619 1
1285 1582 -116.083 0.000 0.7640 0.7134 1
1285 1799 -132.079 0.000 0.8436 0.6280 1
1285 2213 -7.917 0.000 0.7695 0.3901 1
1285 2226 36.110 0.000 0.7784 0.4237 1
1285 3203 80.136 0.000 0.7886 0.4100 1
1285 3612 -139.996 0.000 0.7486 0.4411 1
1285 3665 124.163 0.000 0.7974 0.5131 1
1285 3938 -88.052 0.000 0.9200 0.7802 1
1285 4133 -128.120 0.000 0.7829 0.6705 1
1285 4153 -84.094 0.000 0.7840 0.4514 1
1288 1644 30.011 0.000 0.7489 0.2992 1
1298 1791 -15.995 0.000 0.8809 0.3307 1
1300 2923 -67.064 0.000 0.7055 0.5323 1
1300 3021 46.019 0.000 0.8360 0.5947 1
1300 3278 33.983 0.000 0.8064 0.6361 1
1300 4704 113.083 0.000 0.7446 0.5770 1
1304 1349 88.053 0.000 0.8879 0.7338 1
1304 1362 -28.031 0.000 0.9482 0.8750 1
1304 1440 -44.026 0.000 0.9583 0.8974 1
1304 1582 -72.057 0.000 0.8261 0.8225 1
1304 1749 -146.094 0.000 0.7576 0.6691 1
1304 1799 -88.053 0.000 0.9357 0.7913 1
1304 1817 -116.083 0.000 0.7591 0.6463 1
1304 2213 36.110 0.000 0.7857 0.3959 1
1304 2226 80.136 0.000 0.7905 0.4232 1
1304 3203 124.162 0.000 0.7955 0.4079 1
1304 3612 -95.969 0.000 0.7696 0.4492 1
1304 3665 168.189 0.000 0.8754 0.5106 1
1304 3938 -44.026 0.000 0.8628 0.6483 1
1304 4133 -84.094 0.000 0.7883 0.6211 1
1308 1716 -139.064 0.000 0.7942 0.4635 1
1308 1783 -75.995 0.000 0.7751 0.3304 1
1308 1938 72.019 0.000 0.7232 0.2758 1
1308 2083 95.071 0.000 0.7008 0.5034 1
1308 2144 -14.016 0.000 0.7631 0.3051 1
1308 2379 28.031 0.000 0.7800 0.4204 1
1308 2600 -113.084 0.000 0.8644 0.4422 1
1308 3058 -143.059 0.000 0.7216 0.3619 1
1308 3140 -119.038 0.000 0.7504 0.3150 1
1308 3727 16.031 0.000 0.7572 0.3340 1
1308 3928 -127.100 0.000 0.8025 0.4881 1
1311 2479 17.027 0.000 0.8739 0.6418 1
1320 1443 89.015 0.000 0.7447 0.5404 1
1320 1854 115.031 0.000 0.8553 0.4935 1
1320 2141 141.058 0.000 0.8933 0.4620 1
1320 2578 105.021 0.000 0.8647 0.4657 1
1320 2598 89.026 0.000 0.7110 0.3563 1
1320 3406 127.006 0.000 0.7041 0.2853 1
1326 1346 46.043 0.000 0.7957 0.5607 1
1326 2346 -0.000 0.000 0.9185 0.7151 1
1326 2360 -292.115 0.000 0.7626 0.6153 1
1327 2051 -0.000 0.000 0.9158 0.5580 1
1327 2511 -33.984 0.000 0.9004 0.5577 1
1327 2592 -48.000 0.000 0.9327 0.6862 1
1327 3569 -48.001 0.000 0.9122 0.5868 1
1327 4603 -63.995 0.000 0.8875 0.5871 1
1327 4816 -33.985 0.000 0.7437 0.5730 1
1327 4964 -33.984 0.000 0.8382 0.4720 1
1327 4973 -14.016 0.000 0.8826 0.5301 1
1329 1671 1.979 0.000 0.8596 0.7126 1
1330 1398 107.120 0.000 0.7124 0.3258 1
1330 1487 -48.920 0.000 0.7002 0.4378 1
1330 1536 49.172 0.000 0.7533 0.3122 1
1330 1561 -38.088 0.000 0.7056 0.2575 1
1330 1938 65.109 0.000 0.7219 0.2813 1
1330 1962 -55.932 0.000 0.7046 0.2353 1
1330 1985 -26.901 0.000 0.7753 0.4640 1
1330 2339 -98.015 0.000 0.7230 0.3573 1
1330 2402 -4.894 0.000 0.7040 0.4942 1
1330 2557 -67.969 0.000 0.7174 0.4015 1
1330 3364 -41.953 0.000 0.7478 0.2920 1
1330 4077 21.177 0.000 0.7163 0.5095 1
1333 1431 -99.989 0.000 0.7312 0.3213 1
1333 1487 3.053 0.000 0.8316 0.3337 1
1333 1497 49.096 0.000 0.7636 0.2624 1
1333 1536 101.146 0.000 0.8044 0.3142 1
1333 1561 13.885 0.000 0.7754 0.3187 1
1333 1569 31.049 0.000 0.7872 0.2564 1
1333 1716 -93.999 0.000 0.7057 0.3400 1
1333 1724 40.068 0.000 0.8013 0.3700 1
1333 1768 -30.046 0.000 0.8863 0.4700 1
1333 1775 -42.011 0.000 0.8174 0.5170 1
1333 1783 -30.931 0.000 0.7504 0.2888 1
1333 1791 -40.952 0.000 0.8355 0.3368 1
1333 1828 -28.031 0.000 0.9185 0.5044 1
1333 1938 117.083 0.000 0.7385 0.2604 1
1333 1962 -3.959 0.000 0.7892 0.3170 1
1333 1965 41.917 0.000 0.7203 0.2469 1
1333 2126 40.068 0.000 0.8041 0.3582 1
1333 2144 31.048 0.000 0.7997 0.3054 1
1333 2193 12.036 0.000 0.8013 0.4506 1
1333 2214 3.053 0.000 0.8053 0.3622 1
1333 2299 42.047 0.000 0.9607 0.5264 1
1333 2339 -46.042 0.000 0.8424 0.4529 1
1333 2379 73.095 0.000 0.7505 0.3685 1
1333 2419 94.115 0.000 0.8325 0.3535 1
1333 2492 84.094 0.000 0.9054 0.4954 1
1333 2504 -26.016 0.000 0.8846 0.5157 1
1333 2508 -15.995 0.000 0.8192 0.4978 1
1333 2512 2.016 0.000 0.8706 0.4940 1
1333 2539 38.052 0.000 0.8252 0.2988 1
1333 2557 -15.995 0.000 0.8555 0.4497 1
1333 2558 -30.010 0.000 0.7027 0.2955 1
1333 2559 -14.014 0.000 0.8779 0.5533 1
1333 2569 40.068 0.000 0.9155 0.5009 1
1333 2600 -68.020 0.000 0.7710 0.3673 1
1333 2610 71.041 0.000 0.7629 0.3553 1
1333 2612 27.901 0.000 0.8310 0.4673 1
1333 2769 -34.913 0.000 0.7175 0.2383 1
1333 2803 -4.915 0.000 0.7116 0.3014 1
1333 2917 38.052 0.000 0.8740 0.4045 1
1333 2931 10.021 0.000 0.9247 0.4196 1
1333 2982 11.080 0.000 0.7274 0.3473 1
1333 2985 12.000 0.000 0.8463 0.4762 1
1333 2987 14.016 0.000 0.9658 0.5129 1
1333 3001 -3.958 0.000 0.8353 0.4576 1
1333 3030 -297.209 0.000 0.9017 0.5019 1
1333 3047 -229.067 0.000 0.7524 0.3771 1
1333 3058 -97.994 0.000 0.7509 0.3507 1
1333 3083 24.036 0.000 0.8021 0.5077 1
1333 3130 -44.063 0.000 0.8707 0.3974 1
1333 3184 -28.031 0.000 0.9635 0.4983 1
1333 3204 14.016 0.000 0.8620 0.5515 1
1333 3214 -2.936 0.000 0.8247 0.3945 1
1333 3300 30.047 0.000 0.8315 0.4721 1
1333 3308 -116.021 0.000 0.7958 0.3967 1
1333 3364 10.020 0.000 0.8360 0.3307 1
1333 3465 -70.079 0.000 0.7964 0.3224 1
1333 3480 -100.089 0.000 0.7560 0.2913 1
1333 3534 -297.209 0.000 0.8873 0.4469 1
1333 3680 23.033 0.000 0.8451 0.2968 1
1333 3922 26.052 0.000 0.7913 0.3527 1
1333 3928 -82.036 0.000 0.7493 0.3451 1
1333 3946 96.094 0.000 0.8942 0.3455 1
1333 3947 36.045 0.000 0.8502 0.3100 1
1333 4093 9.017 0.000 0.9208 0.4570 1
1333 4511 85.114 0.000 0.8295 0.3868 1
1335 1749 -308.184 0.000 0.8038 0.7570 1
1335 2270 -14.015 0.000 0.9791 0.9595 1
1335 4159 0.000 0.000 0.8511 0.6192 1
1337 1425 -33.984 0.000 0.9092 0.7547 1
1337 2219 -2.993 0.000 0.7340 0.4426 1
1338 1774 69.047 0.000 0.7315 0.4751 1
1338 2932 -50.016 0.000 0.7137 0.4477 1
1338 3014 -163.063 0.000 0.7113 0.5484 1
1339 1981 33.985 0.000 0.9233 0.4128 1
1339 2844 33.985 0.000 0.9336 0.4752 1
1339 2929 0.001 0.000 0.9197 0.8206 1
1339 2942 262.129 0.000 0.8208 0.5563 1
1339 3028 -32.025 0.000 0.8991 0.5199 1
1339 3077 -66.013 0.000 0.8481 0.4161 1
1339 3211 -2.015 0.000 0.7204 0.4009 1
1339 4001 17.953 0.000 0.8047 0.4515 1
1346 1942 38.051 0.000 0.7106 0.4285 1
1346 2346 -46.043 0.000 0.7604 0.5800 1
1348 4018 -0.127 0.000 0.7064 0.5173 1
1349 1362 -116.084 0.000 0.7205 0.7857 1
1349 1440 -132.079 0.000 0.8260 0.6520 1
1349 1799 -176.105 0.000 0.7615 0.5246 1
1349 2213 -51.943 0.000 0.7340 0.3973 1
1349 2226 -7.917 0.000 0.7421 0.4257 1
1349 2270 60.022 0.000 0.7191 0.7093 1
1349 3203 36.110 0.000 0.7587 0.4260 1
1349 3612 -184.022 0.000 0.7200 0.4395 1
1349 3665 80.136 0.000 0.7686 0.5219 1
1349 3938 -132.078 0.000 0.8959 0.8129 1
1349 4132 -216.172 0.000 0.7164 0.4544 1
1349 4133 -172.146 0.000 0.8220 0.7213 1
1349 4153 -128.120 0.000 0.7497 0.4731 1
1351 1398 39.000 0.000 0.7647 0.7396 1
1351 1615 10.968 0.000 0.7417 0.6672 1
1351 1939 -16.031 0.000 0.8158 0.4838 1
1351 2376 -15.995 0.000 0.8246 0.4247 1
1351 2916 -76.038 0.000 0.8163 0.5619 1
1351 3246 58.042 0.000 0.7175 0.7085 1
1351 3332 54.036 0.000 0.7040 0.6233 1
1351 4167 -57.058 0.000 0.7134 0.4115 1
1360 2630 15.995 0.000 0.8755 0.5623 1
1360 4252 49.980 0.000 0.8993 0.5751 1
1360 4603 5.953 0.000 0.7860 0.5784 1
1361 4037 -58.043 0.000 0.7933 0.4518 1
1361 4063 -75.069 0.000 0.7640 0.3437 1
1362 1440 -15.995 0.000 0.7307 0.6394 1
1362 1582 -44.026 0.000 0.9563 0.8467 1
1362 1749 -118.063 0.000 0.7191 0.5759 1
1362 1817 -88.052 0.000 0.8858 0.6992 1
1362 1886 220.131 0.000 0.7222 0.6699 1
1362 2213 64.141 0.000 0.7617 0.3919 1
1362 2226 108.167 0.000 0.7799 0.4378 1
1362 2270 176.105 0.000 0.8881 0.8748 1
1362 3203 152.193 0.000 0.7790 0.4210 1
1362 3612 -67.938 0.000 0.7550 0.4411 1
1362 3665 196.220 0.000 0.8926 0.5028 1
1362 3938 -15.995 0.000 0.7832 0.7122 1
1362 4133 -56.063 0.000 0.7842 0.6966 1
1376 4209 31.969 0.000 0.7409 0.5812 1
1376 4427 -16.031 0.000 0.7309 0.5139 1
1378 4929 -14.016 0.000 0.8945 0.5562 1
1379 1539 -58.010 0.000 0.7286 0.5531 1
1379 1875 -56.014 0.000 0.7109 0.5309 1
1379 2411 75.044 0.000 0.7154 0.6077 1
1379 2469 99.080 0.000 0.7013 0.3890 1
1379 2507 -33.974 0.000 0.7105 0.4780 1
1379 2609 0.012 0.000 0.8825 0.5168 1
1379 2673 -33.983 0.000 0.7172 0.5822 1
1379 2935 39.077 0.000 0.7415 0.5219 1
1379 2942 23.046 0.000 0.7357 0.4747 1
1379 2951 -71.061 0.000 0.7354 0.4475 1
1379 3596 57.033 0.000 0.7546 0.5365 1
1379 3862 57.033 0.000 0.7386 0.4468 1
1379 4193 73.065 0.000 0.7560 0.5634 1
1379 4445 -203.122 0.000 0.7156 0.3620 1
1380 2335 257.142 0.000 0.7824 0.3315 1
1380 2456 46.042 0.000 0.7648 0.4423 1
1385 1446 0.000 0.000 0.7748 0.7185 1
1385 1875 33.985 0.000 0.7748 0.6120 1
1385 2926 9.974 0.000 0.8226 0.6208 1
1385 2937 139.064 0.000 0.7358 0.3895 1
1385 2993 -16.068 0.000 0.7118 0.5327 1
1385 3529 -14.015 0.000 0.7071 0.5614 1
1385 3642 110.049 0.000 0.7525 0.4618 1
1385 4937 35.038 0.000 0.7539 0.4918 1
1387 1536 316.233 0.000 0.7253 0.2654 1
1387 1768 185.041 0.000 0.7209 0.2189 1
1387 1848 -146.058 0.000 0.7031 0.3316 1
1387 1851 -12.000 0.000 0.7120 0.3668 1
1387 1877 -56.062 0.000 0.7120 0.3482 1
1387 3130 171.025 0.000 0.7244 0.2516 1
1387 3459 109.011 0.000 0.7187 0.2324 1
1387 3947 251.133 0.000 0.7103 0.1828 1
1388 1775 42.934 0.000 0.7069 0.2876 1
1388 2492 169.038 0.000 0.7595 0.2162 1
1388 2803 80.030 0.000 0.7243 0.2672 1
1388 3001 80.986 0.000 0.7448 0.3023 1
1397 4635 -33.984 0.000 0.9060 0.6862 1
1398 1402 -86.922 0.000 0.7296 0.3932 1
1398 1437 -32.919 0.000 0.7328 0.5492 1
1398 1497 -109.998 0.000 0.7001 0.2607 1
1398 1509 -19.031 0.000 0.7351 0.6642 1
1398 1525 -5.015 0.000 0.8194 0.8065 1
1398 1536 -57.948 0.000 0.8088 0.4876 1
1398 1615 -28.031 0.000 0.8643 0.8621 1
1398 1768 -189.140 0.000 0.7561 0.2284 1
1398 1874 -23.916 0.000 0.7676 0.3549 1
1398 1938 -42.010 0.000 0.8043 0.6343 1
1398 1939 -55.031 0.000 0.7206 0.5314 1
1398 1985 -134.021 0.000 0.8262 0.3413 1
1398 2083 -18.958 0.000 0.7661 0.5963 1
1398 2126 -119.026 0.000 0.7584 0.3925 1
1398 2299 -117.046 0.000 0.7387 0.3100 1
1398 2328 -22.927 0.000 0.7770 0.2811 1
1398 2369 -0.945 0.000 0.7141 0.4612 1
1398 2419 -64.979 0.000 0.7498 0.3383 1
1398 2492 -75.000 0.000 0.7562 0.5031 1
1398 2539 -121.042 0.000 0.7479 0.2465 1
1398 2569 -119.026 0.000 0.7513 0.2649 1
1398 2647 -38.986 0.000 0.7885 0.8184 1
1398 2677 -159.224 0.000 0.7563 0.2401 1
1398 2764 -81.915 0.000 0.7065 0.3449 1
1398 2822 -26.986 0.000 0.7049 0.8365 1
1398 2859 19.042 0.000 0.8203 0.5551 1
1398 2985 -147.094 0.000 0.7598 0.2988 1
1398 3130 -203.156 0.000 0.7662 0.2971 1
1398 3246 19.042 0.000 0.8121 0.5169 1
1398 3300 -129.047 0.000 0.7108 0.2973 1
1398 3332 15.036 0.000 0.9234 0.6509 1
1398 3364 -149.073 0.000 0.7143 0.2976 1
1398 3368 -130.013 0.000 0.7003 0.4358 1
1398 3503 1.020 0.000 0.8653 0.8625 1
1398 3884 -12.995 0.000 0.7256 0.7641 1
1398 3901 -36.983 0.000 0.7372 0.7452 1
1398 3922 -133.042 0.000 0.7366 0.2929 1
1398 3946 -62.999 0.000 0.7861 0.2428 1
1398 3947 -123.048 0.000 0.7649 0.2334 1
1398 3950 -23.975 0.000 0.7451 0.7493 1
1398 3957 -11.975 0.000 0.8434 0.7973 1
1398 3985 -38.986 0.000 0.7349 0.7180 1
1398 4060 1.020 0.000 0.8435 0.8118 1
1398 4114 -34.967 0.000 0.8018 0.5399 1
1398 4183 -71.982 0.000 0.7476 0.5084 1
1398 4511 -73.979 0.000 0.7505 0.4042 1
1398 4608 -40.031 0.000 0.7335 0.5017 1
1398 4834 1.020 0.000 0.8670 0.8954 1
1400 2101 18.037 0.000 0.7426 0.3856 1
1402 1434 79.102 0.000 0.7085 0.4736 1
1402 1487 -69.119 0.000 0.7111 0.4072 1
1402 1536 28.974 0.000 0.7928 0.3416 1
1402 1938 44.911 0.000 0.7404 0.3255 1
1402 2083 67.963 0.000 0.7721 0.5773 1
1402 2379 0.923 0.000 0.7230 0.3341 1
1402 2539 -34.120 0.000 0.7234 0.3244 1
1402 2764 5.007 0.000 0.7946 0.5328 1
1402 2834 -15.016 0.000 0.8019 0.5115 1
1402 2859 105.964 0.000 0.7691 0.5312 1
1402 2966 86.994 0.000 0.7760 0.5922 1
1402 3084 83.997 0.000 0.7058 0.4712 1
1402 3246 105.964 0.000 0.7697 0.5451 1
1402 4077 0.979 0.000 0.7514 0.4146 1
1402 4608 46.890 0.000 0.7446 0.3450 1
1412 1805 -19.010 0.000 0.7744 0.4611 1
1412 2251 24.922 0.000 0.7817 0.4063 1
1412 2773 10.906 0.000 0.8440 0.3309 1
1412 3596 97.016 0.000 0.8424 0.4153 1
1412 3862 97.016 0.000 0.8402 0.4252 1
1412 3981 81.042 0.000 0.8099 0.3502 1
1412 4706 30.984 0.000 0.7702 0.3970 1
1412 4858 96.012 0.000 0.7253 0.4640 1
1414 1861 56.026 0.000 0.7161 0.5488 1
1414 2218 -14.016 0.000 0.7167 0.5486 1
1414 2476 -1.979 0.000 0.7526 0.6054 1
1415 1933 91.042 0.000 0.7409 0.4437 1
1415 3395 -26.015 0.000 0.7512 0.5245 1
1416 1650 49.990 0.000 0.7725 0.5049 1
1416 2964 203.122 0.000 0.9844 0.8929 1
1418 2962 -63.994 0.000 0.7344 0.3681 1
1418 3618 15.995 0.000 0.7519 0.5931 1
1423 1550 1.979 0.000 0.9289 0.5409 1
1423 1914 26.015 0.000 0.8466 0.3794 1
1423 2193 273.173 0.000 0.7185 0.4529 1
1425 1657 14.016 0.000 0.8017 0.4155 1
1425 1674 71.026 0.000 0.7158 0.4652 1
1429 3991 -43.990 0.000 0.7139 0.6454 1
1431 1487 103.042 0.000 0.7987 0.3240 1
1431 1527 -154.073 0.000 0.7776 0.3246 1
1431 1569 131.038 0.000 0.7437 0.3073 1
1431 1716 5.989 0.000 0.7165 0.3144 1
1431 1783 69.058 0.000 0.7532 0.3854 1
1431 2144 131.037 0.000 0.7509 0.3387 1
1431 2232 -85.020 0.000 0.7339 0.3718 1
1431 2264 -115.063 0.000 0.8376 0.4139 1
1431 2361 113.085 0.000 0.7411 0.2529 1
1431 2379 173.084 0.000 0.7141 0.3146 1
1431 2402 147.069 0.000 0.8191 0.3687 1
1431 2600 31.969 0.000 0.7942 0.4263 1
1431 2610 171.030 0.000 0.7042 0.3713 1
1431 2967 44.006 0.000 0.7930 0.3485 1
1431 2982 111.069 0.000 0.7034 0.3570 1
1431 3047 -129.078 0.000 0.8547 0.4248 1
1431 3058 1.994 0.000 0.7943 0.4134 1
1431 3105 143.074 0.000 0.7990 0.2974 1
1431 3140 26.015 0.000 0.8626 0.4866 1
1431 3214 97.052 0.000 0.7810 0.3866 1
1431 3308 -16.032 0.000 0.8480 0.4460 1
1431 3343 -6.021 0.000 0.7804 0.3771 1
1431 3364 110.009 0.000 0.7378 0.3352 1
1431 3928 17.953 0.000 0.7699 0.3776 1
1433 1536 111.087 0.000 0.8070 0.2904 1
1433 1783 -20.990 0.000 0.7242 0.2847 1
1433 1938 127.024 0.000 0.7508 0.2797 1
1433 1962 5.982 0.000 0.7380 0.2152 1
1433 2264 -205.111 0.000 0.7486 0.4847 1
1433 2379 83.036 0.000 0.7262 0.3556 1
1433 2402 57.021 0.000 0.8198 0.5303 1
1433 2600 -58.079 0.000 0.7398 0.4008 1
1433 2610 80.982 0.000 0.7184 0.3368 1
1433 2803 5.026 0.000 0.7311 0.3478 1
1433 2834 67.097 0.000 0.7570 0.4326 1
1433 2982 21.021 0.000 0.7112 0.2296 1
1433 3008 5.081 0.000 0.7047 0.2300 1
1433 3047 -219.126 0.000 0.7566 0.4878 1
1433 3058 -88.053 0.000 0.7044 0.4060 1
1433 3214 7.005 0.000 0.7713 0.3221 1
1433 3308 -106.080 0.000 0.7328 0.3443 1
1433 3368 39.021 0.000 0.7068 0.4768 1
1433 3928 -72.095 0.000 0.7377 0.4232 1
1433 4511 95.055 0.000 0.7288 0.2569 1
1437 1874 9.003 0.000 0.7128 0.3327 1
1437 1938 -9.091 0.000 0.7272 0.4933 1
1437 2328 9.992 0.000 0.7050 0.2490 1
1437 4511 -41.060 0.000 0.7047 0.3553 1
1440 1582 -28.031 0.000 0.9587 0.8749 1
1440 1749 -102.068 0.000 0.7910 0.6825 1
1440 1799 -44.026 0.000 0.9480 0.7784 1
1440 1817 -72.057 0.000 0.7920 0.6551 1
1440 2213 80.136 0.000 0.8024 0.3923 1
1440 2226 124.162 0.000 0.7894 0.4141 1
1440 3203 168.189 0.000 0.8477 0.3855 1
1440 3612 -51.943 0.000 0.7773 0.4342 1
1440 3665 212.215 0.000 0.7942 0.5172 1
1440 3938 0.001 0.000 0.8280 0.5962 1
1440 4133 -40.067 0.000 0.7091 0.5243 1
1443 1854 26.016 0.000 0.7902 0.5807 1
1443 2141 52.042 0.000 0.7621 0.4402 1
1443 2188 16.006 0.000 0.8318 0.6557 1
1443 2262 -147.057 0.000 0.8207 0.4764 1
1443 2578 16.006 0.000 0.8279 0.6878 1
1443 2598 0.011 0.000 0.9584 0.6196 1
1443 2617 -57.009 0.000 0.8628 0.5937 1
1443 2944 -87.019 0.000 0.7379 0.4064 1
1443 3406 37.990 0.000 0.7375 0.3735 1
1443 3705 -211.110 0.000 0.7094 0.5277 1
1443 4080 -163.053 0.000 0.8623 0.5215 1
1443 4480 -0.985 0.000 0.7069 0.7027 1
1443 4706 -113.094 0.000 0.8024 0.5140 1
1446 1481 117.079 0.000 0.7114 0.5464 1
1446 2993 -16.068 0.000 0.7223 0.5433 1
1463 1715 42.046 0.000 0.8308 0.5377 1
1463 1786 28.030 0.000 0.7848 0.6222 1
1465 1791 -1.980 0.000 0.8391 0.2906 1
1466 2965 -32.023 0.000 0.9159 0.5667 1
1466 2967 17.957 0.000 0.7747 0.5370 1
1481 2298 5.978 0.000 0.7189 0.5070 1
1481 2327 -8.037 0.000 0.7344 0.5666 1
1481 2500 -54.047 0.000 0.7201 0.4231 1
1481 2698 33.985 0.000 0.7827 0.5703 1
1481 3642 -7.031 0.000 0.7345 0.5767 1
1482 1515 27.921 0.000 0.8091 0.4127 1
1482 2935 29.936 0.000 0.8143 0.4579 1
1487 1536 98.092 0.000 0.7639 0.3109 1
1487 1569 27.996 0.000 0.8325 0.3027 1
1487 1724 37.015 0.000 0.7297 0.2482 1
1487 1783 -33.984 0.000 0.8394 0.3277 1
1487 1938 114.030 0.000 0.7186 0.2671 1
1487 2144 27.995 0.000 0.8230 0.3010 1
1487 2192 26.003 0.000 0.7561 0.6677 1
1487 2214 0.000 0.000 0.8785 0.6420 1
1487 2264 -218.105 0.000 0.8033 0.4844 1
1487 2379 70.042 0.000 0.8224 0.3878 1
1487 2402 44.027 0.000 0.8918 0.7216 1
1487 2411 84.019 0.000 0.7142 0.5195 1
1487 2492 81.041 0.000 0.7363 0.2866 1
1487 2600 -71.073 0.000 0.8621 0.4563 1
1487 2610 67.988 0.000 0.7889 0.3895 1
1487 2769 -37.966 0.000 0.7277 0.2363 1
1487 2789 -33.973 0.000 0.7484 0.5453 1
1487 2834 54.103 0.000 0.7329 0.4466 1
1487 2859 175.083 0.000 0.7268 0.4517 1
1487 2940 -207.170 0.000 0.7081 0.2739 1
1487 2967 -59.036 0.000 0.8735 0.6055 1
1487 3047 -232.120 0.000 0.8281 0.5078 1
1487 3058 -101.047 0.000 0.8275 0.3863 1
1487 3140 -77.027 0.000 0.8348 0.3530 1
1487 3214 -5.989 0.000 0.8709 0.3641 1
1487 3246 175.083 0.000 0.7367 0.4649 1
1487 3308 -119.074 0.000 0.8518 0.3974 1
1487 3364 6.967 0.000 0.8046 0.2909 1
1487 3740 -38.029 0.000 0.7223 0.3757 1
1487 3928 -85.089 0.000 0.8701 0.5852 1
1487 4252 -10.022 0.000 0.7012 0.3933 1
1487 4511 82.061 0.000 0.7273 0.3106 1
1497 1536 52.050 0.000 0.7972 0.3091 1
1497 1768 -79.142 0.000 0.8228 0.2539 1
1497 1938 67.987 0.000 0.7521 0.3176 1
1497 1962 -53.054 0.000 0.7338 0.2437 1
1497 1965 -7.179 0.000 0.7490 0.3016 1
1497 2083 91.040 0.000 0.7038 0.3251 1
1497 2144 -18.047 0.000 0.7016 0.2427 1
1497 2328 87.071 0.000 0.8358 0.2945 1
1497 2339 -95.137 0.000 0.7617 0.2843 1
1497 2379 23.999 0.000 0.7058 0.3030 1
1497 2419 45.019 0.000 0.7880 0.3148 1
1497 2492 34.998 0.000 0.7574 0.3048 1
1497 2539 -11.044 0.000 0.8374 0.3596 1
1497 2557 -65.091 0.000 0.7472 0.2689 1
1497 2559 -63.110 0.000 0.7432 0.2761 1
1497 2764 28.083 0.000 0.7509 0.3209 1
1497 2769 -84.009 0.000 0.7177 0.2363 1
1497 2803 -54.011 0.000 0.7390 0.2990 1
1497 2834 8.060 0.000 0.7353 0.3591 1
1497 3083 -25.059 0.000 0.7290 0.2807 1
1497 3214 -52.032 0.000 0.7086 0.2418 1
1497 3364 -39.075 0.000 0.7665 0.2532 1
1497 3368 -20.015 0.000 0.7001 0.2846 1
1497 3480 -149.185 0.000 0.7057 0.2475 1
1497 3680 -26.063 0.000 0.8229 0.2720 1
1497 3865 -12.048 0.000 0.8368 0.2626 1
1497 3922 -23.044 0.000 0.7283 0.2690 1
1497 3947 -13.050 0.000 0.8371 0.2833 1
1497 4511 36.018 0.000 0.7357 0.2885 1
1499 2857 0.055 0.000 0.9346 0.7317 1
1509 1525 14.016 0.000 0.8667 0.8226 1
1509 1615 -9.000 0.000 0.7112 0.5782 1
1509 2083 0.073 0.000 0.7467 0.4679 1
1509 2379 -66.967 0.000 0.7136 0.3705 1
1509 2594 -36.959 0.000 0.7083 0.5323 1
1509 3139 -242.101 0.000 0.7050 0.5203 1
1509 3922 -114.011 0.000 0.7083 0.4307 1
1514 1775 -50.089 0.000 0.7409 0.4549 1
1514 1828 -36.110 0.000 0.7236 0.3530 1
1514 1892 1.979 0.000 0.7150 0.4111 1
1514 2193 3.958 0.000 0.7829 0.5425 1
1514 2299 33.969 0.000 0.7083 0.3457 1
1514 2339 -54.120 0.000 0.7028 0.3099 1
1514 2419 86.036 0.000 0.7469 0.3800 1
1514 2512 -6.063 0.000 0.7222 0.3611 1
1514 2558 -38.089 0.000 0.7114 0.4735 1
1514 2559 -22.093 0.000 0.7533 0.4126 1
1514 2569 31.990 0.000 0.7072 0.3157 1
1514 2987 5.938 0.000 0.7046 0.3104 1
1514 3001 -12.037 0.000 0.7532 0.4799 1
1514 3204 5.937 0.000 0.7523 0.4453 1
1515 1588 -0.008 0.000 0.9827 0.6898 1
1515 2199 -16.028 0.000 0.9351 0.5925 1
1515 2385 0.994 0.000 0.7157 0.5227 1
1515 2935 2.016 0.000 0.8768 0.6502 1
1515 3056 74.019 0.000 0.7157 0.3922 1
1515 3866 16.953 0.000 0.7078 0.4593 1
1524 1763 3.000 0.000 0.8408 0.3794 1
1524 4038 -2.999 0.000 0.8321 0.4901 1
1525 1854 -11.938 0.000 0.7620 0.5985 1
1525 2083 -13.943 0.000 0.7702 0.5794 1
1525 2141 14.089 0.000 0.7504 0.4546 1
1525 2594 -50.974 0.000 0.7903 0.5443 1
1525 2667 -52.990 0.000 0.7140 0.5316 1
1525 3084 2.091 0.000 0.7162 0.4840 1
1525 3406 0.036 0.000 0.8173 0.6231 1
1525 3595 -0.911 0.000 0.7100 0.7275 1
1527 1569 285.111 0.000 0.7300 0.2749 1
1527 1783 223.131 0.000 0.7082 0.2944 1
1527 2232 69.054 0.000 0.7086 0.3031 1
1527 2264 39.010 0.000 0.8004 0.4124 1
1527 3047 24.995 0.000 0.7936 0.4329 1
1527 3058 156.068 0.000 0.7319 0.3492 1
1527 3140 180.088 0.000 0.7345 0.3144 1
1527 3364 264.082 0.000 0.7092 0.3150 1
1536 1561 -87.260 0.000 0.7947 0.3080 1
1536 1569 -70.097 0.000 0.7070 0.2177 1
1536 1615 29.917 0.000 0.7010 0.3781 1
1536 1724 -61.078 0.000 0.7405 0.3270 1
1536 1768 -131.192 0.000 0.8594 0.3035 1
1536 1783 -132.077 0.000 0.7346 0.3227 1
1536 1874 34.032 0.000 0.8247 0.3648 1
1536 1938 15.937 0.000 0.8381 0.4894 1
1536 1962 -105.104 0.000 0.7675 0.2982 1
1536 1965 -59.229 0.000 0.7488 0.2890 1
1536 1985 -76.073 0.000 0.8583 0.2817 1
1536 1992 -48.058 0.000 0.7079 0.3620 1
1536 2083 38.990 0.000 0.7585 0.4230 1
1536 2126 -61.078 0.000 0.8515 0.3872 1
1536 2144 -70.097 0.000 0.7533 0.3153 1
1536 2193 -89.109 0.000 0.7215 0.2984 1
1536 2214 -98.092 0.000 0.7407 0.2799 1
1536 2328 35.021 0.000 0.8852 0.3229 1
1536 2339 -147.188 0.000 0.7923 0.3025 1
1536 2379 -28.051 0.000 0.7069 0.3332 1
1536 2411 -14.073 0.000 0.7077 0.4007 1
1536 2419 -7.031 0.000 0.8095 0.3698 1
1536 2460 -129.308 0.000 0.8296 0.2833 1
1536 2492 -17.052 0.000 0.7857 0.2948 1
1536 2508 -117.141 0.000 0.7426 0.2864 1
1536 2512 -99.130 0.000 0.7621 0.3100 1
1536 2539 -63.094 0.000 0.8514 0.3504 1
1536 2557 -117.141 0.000 0.7956 0.3110 1
1536 2569 -61.078 0.000 0.8716 0.3360 1
1536 2600 -169.166 0.000 0.7062 0.3434 1
1536 2610 -30.104 0.000 0.7385 0.3882 1
1536 2764 -23.967 0.000 0.7465 0.3171 1
1536 2769 -136.059 0.000 0.7563 0.3218 1
1536 2795 -68.915 0.000 0.7527 0.3084 1
1536 2803 -106.061 0.000 0.7535 0.3421 1
1536 2834 -43.990 0.000 0.7753 0.4319 1
1536 2859 76.990 0.000 0.7803 0.3955 1
1536 2917 -63.094 0.000 0.8731 0.2842 1
1536 2966 58.021 0.000 0.7295 0.4373 1
1536 2982 -90.066 0.000 0.7622 0.3520 1
1536 2985 -89.146 0.000 0.8565 0.3319 1
1536 3001 -105.104 0.000 0.7005 0.3009 1
1536 3008 -106.006 0.000 0.7377 0.3076 1
1536 3083 -77.109 0.000 0.8323 0.3147 1
1536 3204 -87.130 0.000 0.7536 0.2814 1
1536 3214 -104.082 0.000 0.7368 0.2572 1
1536 3246 76.990 0.000 0.7824 0.3461 1
1536 3300 -71.099 0.000 0.7891 0.3271 1
1536 3332 72.984 0.000 0.7147 0.3240 1
1536 3364 -91.125 0.000 0.8546 0.3834 1
1536 3368 -72.065 0.000 0.7745 0.3669 1
1536 3408 -117.177 0.000 0.7583 0.3786 1
1536 3465 -171.224 0.000 0.7474 0.2429 1
1536 3480 -201.235 0.000 0.7243 0.2737 1
1536 3680 -78.113 0.000 0.8484 0.2627 1
1536 3726 -40.050 0.000 0.7266 0.3254 1
1536 3865 -64.098 0.000 0.8618 0.2779 1
1536 3922 -75.094 0.000 0.8382 0.3832 1
1536 3928 -183.181 0.000 0.7050 0.3301 1
1536 3947 -65.100 0.000 0.8614 0.2834 1
1536 4077 -27.995 0.000 0.7613 0.3868 1
1536 4093 -92.129 0.000 0.8520 0.2498 1
1536 4183 -14.035 0.000 0.7568 0.4894 1
1536 4511 -16.032 0.000 0.8258 0.4035 1
1536 4608 17.916 0.000 0.7901 0.4221 1
1539 3997 113.037 0.000 0.7258 0.6766 1
1539 4142 14.971 0.000 0.7793 0.5560 1
1539 4858 114.039 0.000 0.7233 0.6365 1
1545 2023 42.010 0.000 0.7083 0.4568 1
1545 2927 29.974 0.000 0.8104 0.5545 1
1545 2955 56.026 0.000 0.7313 0.4271 1
1545 3032 29.974 0.000 0.8209 0.5613 1
1545 3225 15.958 0.000 0.9004 0.5934 1
1545 3357 58.005 0.000 0.8837 0.5587 1
1545 4000 -34.021 0.000 0.7954 0.5462 1
1550 1631 26.052 0.000 0.8911 0.4327 1
1550 2447 -15.958 0.000 0.8529 0.5701 1
1550 2952 15.995 0.000 0.9185 0.5920 1
1551 1730 -54.047 0.000 0.9804 0.9360 1
1551 2092 54.047 0.000 0.9486 0.8457 1
1551 2392 108.094 0.000 0.7686 0.5720 1
1551 4672 -162.140 0.000 0.8232 0.5254 1
1558 3130 -3.158 0.000 0.9000 0.2906 1
1561 1606 -84.094 0.000 0.8868 0.3095 1
1561 1768 -43.932 0.000 0.8397 0.3555 1
1561 1938 103.198 0.000 0.7232 0.2847 1
1561 1962 -17.844 0.000 0.7325 0.2696 1
1561 1965 28.031 0.000 0.8070 0.3327 1
1561 1985 11.187 0.000 0.8098 0.2339 1
1561 2328 122.281 0.000 0.7981 0.2441 1
1561 2339 -59.927 0.000 0.7545 0.2522 1
1561 2460 -42.047 0.000 0.8196 0.3096 1
1561 2492 70.209 0.000 0.7267 0.2241 1
1561 2508 -29.881 0.000 0.7088 0.3110 1
1561 2539 24.167 0.000 0.8149 0.3268 1
1561 2557 -29.880 0.000 0.7506 0.2732 1
1561 2559 -27.900 0.000 0.7332 0.2776 1
1561 2677 -14.016 0.000 0.9064 0.3196 1
1561 2769 -48.798 0.000 0.7271 0.2442 1
1561 2803 -18.800 0.000 0.7180 0.3355 1
1561 2982 -2.805 0.000 0.7171 0.2532 1
1561 2985 -1.885 0.000 0.7675 0.2437 1
1561 3083 10.151 0.000 0.7348 0.3060 1
1561 3130 -57.948 0.000 0.8172 0.2865 1
1561 3204 0.130 0.000 0.7273 0.2525 1
1561 3214 -16.821 0.000 0.7081 0.2651 1
1561 3246 164.251 0.000 0.7274 0.2676 1
1561 3364 -3.865 0.000 0.7801 0.3268 1
1561 3465 -83.964 0.000 0.7206 0.2309 1
1561 3865 23.163 0.000 0.8368 0.3016 1
1561 3922 12.167 0.000 0.7300 0.2612 1
1561 3947 22.160 0.000 0.8256 0.2416 1
1569 1716 -125.048 0.000 0.7350 0.3005 1
1569 1768 -61.095 0.000 0.7604 0.2453 1
1569 1783 -61.980 0.000 0.7719 0.3323 1
1569 2144 -0.001 0.000 0.7864 0.3144 1
1569 2214 -27.996 0.000 0.7823 0.2867 1
1569 2379 42.046 0.000 0.7565 0.3059 1
1569 2402 16.031 0.000 0.8242 0.2621 1
1569 2539 7.003 0.000 0.7570 0.3409 1
1569 2569 9.019 0.000 0.7318 0.2133 1
1569 2600 -99.069 0.000 0.7887 0.3227 1
1569 2610 39.992 0.000 0.7104 0.3079 1
1569 3058 -129.043 0.000 0.7667 0.2992 1
1569 3083 -7.013 0.000 0.7008 0.3227 1
1569 3130 -75.112 0.000 0.7512 0.2437 1
1569 3140 -105.022 0.000 0.7891 0.3434 1
1569 3214 -33.985 0.000 0.8214 0.3464 1
1569 3308 -147.070 0.000 0.7998 0.3355 1
1569 3343 -137.058 0.000 0.7045 0.2925 1
1569 3364 -21.029 0.000 0.7680 0.3069 1
1569 3922 -4.997 0.000 0.7214 0.2809 1
1569 3928 -113.085 0.000 0.7513 0.2816 1
1569 3947 4.996 0.000 0.7595 0.1953 1
1569 4190 -244.179 0.000 0.8130 0.3065 1
1569 4860 0.008 0.000 0.9052 0.3740 1
1575 2604 -20.976 0.000 0.7371 0.6036 1
1582 1749 -74.037 0.000 0.7983 0.6801 1
1582 1799 -15.995 0.000 0.8028 0.6511 1
1582 1817 -44.026 0.000 0.9603 0.7793 1
1582 1886 264.158 0.000 0.7036 0.5872 1
1582 2213 108.167 0.000 0.7882 0.4223 1
1582 2226 152.193 0.000 0.7744 0.4496 1
1582 2270 220.131 0.000 0.8555 0.8322 1
1582 3203 196.219 0.000 0.8854 0.4220 1
1582 3612 -23.912 0.000 0.7604 0.4510 1
1582 3665 240.246 0.000 0.7430 0.5424 1
1582 3938 28.031 0.000 0.8464 0.7138 1
1582 4133 -12.037 0.000 0.7438 0.7148 1
1588 2199 -16.020 0.000 0.9475 0.6411 1
1588 2385 1.002 0.000 0.7195 0.4843 1
1588 2935 2.024 0.000 0.8833 0.6193 1
1588 3056 74.027 0.000 0.7134 0.4562 1
1588 3866 16.961 0.000 0.7153 0.4304 1
1589 2418 43.042 0.000 0.7272 0.3301 1
1589 2424 41.044 0.000 0.7687 0.4489 1
1595 3991 -1.995 0.000 0.9307 0.7750 1
1606 1965 112.125 0.000 0.8223 0.2202 1
1606 2321 -18.940 0.000 0.7080 0.4412 1
1606 3465 0.130 0.000 0.7881 0.2249 1
1611 1705 14.016 0.000 0.7465 0.4990 1
1611 3598 0.000 0.000 0.7307 0.3534 1
1615 1938 -13.979 0.000 0.7226 0.6096 1
1615 1939 -27.000 0.000 0.7094 0.5956 1
1615 1992 -77.974 0.000 0.7308 0.3420 1
1615 2083 9.073 0.000 0.7172 0.5306 1
1615 2419 -36.948 0.000 0.7514 0.3251 1
1615 2565 0.061 0.000 0.8979 0.8849 1
1615 2647 -10.954 0.000 0.8228 0.7923 1
1615 2822 1.046 0.000 0.7983 0.8286 1
1615 2827 0.061 0.000 0.8374 0.6662 1
1615 2859 47.074 0.000 0.7066 0.3884 1
1615 3246 47.074 0.000 0.7015 0.3584 1
1615 3332 43.067 0.000 0.7717 0.6068 1
1615 3503 29.052 0.000 0.8383 0.8330 1
1615 3541 0.025 0.000 0.8599 0.9138 1
1615 3567 -24.970 0.000 0.7485 0.6293 1
1615 3868 -24.970 0.000 0.7802 0.6846 1
1615 3881 1.045 0.000 0.7821 0.7027 1
1615 3884 15.036 0.000 0.7249 0.7702 1
1615 3901 -8.952 0.000 0.7349 0.6536 1
1615 3926 -58.968 0.000 0.7105 0.4802 1
1615 3957 16.057 0.000 0.7512 0.7174 1
1615 3969 0.061 0.000 0.8502 0.8541 1
1615 3985 -10.955 0.000 0.7631 0.6648 1
1615 4060 29.052 0.000 0.8441 0.8093 1
1615 4061 0.025 0.000 0.8611 0.8321 1
1615 4071 -8.952 0.000 0.7055 0.6673 1
1615 4608 -12.000 0.000 0.7058 0.4913 1
1615 4834 29.052 0.000 0.8466 0.8808 1
1616 1859 -1.980 0.000 0.7116 0.4572 1
1616 2138 32.026 0.000 0.8073 0.4475 1
1631 1914 -2.016 0.000 0.8873 0.3145 1
1631 2447 -42.010 0.000 0.7824 0.3390 1
1631 2920 -12.073 0.000 0.7363 0.1916 1
1631 2952 -10.057 0.000 0.8171 0.3073 1
1631 3921 27.995 0.000 0.8661 0.2723 1
1634 1826 46.005 0.000 0.7228 0.5111 1
1634 3133 -27.995 0.000 0.8668 0.5613 1
1644 1810 125.978 0.000 0.7026 0.2955 1
1644 2454 26.013 0.000 0.9171 0.5997 1
1645 1942 146.059 0.000 0.8369 0.6091 1
1650 2836 -28.006 0.000 0.8031 0.5655 1
1650 2951 0.000 0.000 0.7393 0.5479 1
1650 2961 -2.016 0.000 0.8246 0.5846 1
1650 3189 -50.015 0.000 0.8015 0.5836 1
1650 3220 -50.015 0.000 0.9045 0.6066 1
1657 1674 57.011 0.000 0.7305 0.3805 1
1660 1966 14.016 0.000 0.9328 0.7802 1
1671 2954 -163.063 0.000 0.7293 0.5193 1
1671 3081 42.036 0.000 0.7341 0.4617 1
1671 4142 84.049 0.000 0.7052 0.5040 1
1671 4600 -341.174 0.000 0.7143 0.4336 1
1674 2169 -65.084 0.000 0.7199 0.4077 1
1674 2449 48.000 0.000 0.9315 0.5166 1
1683 3991 13.032 0.000 0.7487 0.6445 1
1686 2363 -74.019 0.000 0.8022 0.5001 1
1689 2479 -6.995 0.000 0.7525 0.3807 1
1690 2022 14.016 0.000 0.8487 0.6198 1
1692 1848 56.061 0.000 0.7196 0.3200 1
1692 1877 146.058 0.000 0.7423 0.3813 1
1695 1875 17.015 0.000 0.7592 0.6355 1
1695 2010 0.948 0.000 0.7813 0.5733 1
1695 2211 -15.011 0.000 0.7000 0.4828 1
1695 2218 -0.995 0.000 0.7505 0.6221 1
1695 2438 13.960 0.000 0.7186 0.5794 1
1695 2682 14.016 0.000 0.8941 0.7708 1
1695 2922 27.000 0.000 0.7920 0.7068 1
1695 4102 14.963 0.000 0.7552 0.4996 1
1705 1775 -50.052 0.000 0.7653 0.6478 1
1705 1884 30.011 0.000 0.8135 0.4482 1
1705 1892 2.016 0.000 0.7140 0.4873 1
1705 1962 -12.000 0.000 0.7163 0.3541 1
1705 2193 3.995 0.000 0.8144 0.6862 1
1705 2335 1.979 0.000 0.8149 0.3911 1
1705 2339 -54.083 0.000 0.7375 0.4426 1
1705 2419 86.073 0.000 0.7270 0.4425 1
1705 2492 76.052 0.000 0.7000 0.4703 1
1705 2504 -34.057 0.000 0.7069 0.4439 1
1705 2508 -24.037 0.000 0.7664 0.4816 1
1705 2512 -6.026 0.000 0.7013 0.4418 1
1705 2557 -24.036 0.000 0.7203 0.6247 1
1705 2558 -38.052 0.000 0.7540 0.4750 1
1705 2569 32.026 0.000 0.7957 0.4652 1
1705 2610 63.000 0.000 0.7837 0.4668 1
1705 2764 69.137 0.000 0.7267 0.3751 1
1705 2834 49.114 0.000 0.7910 0.3476 1
1705 2966 151.125 0.000 0.8105 0.3488 1
1705 2985 3.958 0.000 0.7078 0.5024 1
1705 2987 5.974 0.000 0.7042 0.3351 1
1705 3001 -12.000 0.000 0.7486 0.5571 1
1705 3204 5.974 0.000 0.7099 0.4699 1
1705 3368 21.039 0.000 0.7613 0.3270 1
1705 3658 -294.059 0.000 0.7747 0.3465 1
1705 3922 18.010 0.000 0.8194 0.3559 1
1705 4006 -50.084 0.000 0.7012 0.4054 1
1706 2983 -49.980 0.000 0.8781 0.5086 1
1706 2993 15.958 0.000 0.8577 0.5062 1
1706 3189 0.948 0.000 0.8113 0.5140 1
1706 3220 0.948 0.000 0.7439 0.4650 1
1706 3499 15.958 0.000 0.7761 0.4308 1
1707 3715 15.994 0.000 0.8450 0.5543 1
1715 1786 -14.016 0.000 0.8167 0.5218 1
1716 1783 63.069 0.000 0.7163 0.3298 1
1716 2144 125.048 0.000 0.7199 0.3090 1
1716 2192 123.056 0.000 0.7225 0.4893 1
1716 2600 25.980 0.000 0.8034 0.4619 1
1716 2967 38.017 0.000 0.8872 0.5536 1
1716 3047 -135.067 0.000 0.7252 0.4804 1
1716 3055 -9.071 0.000 0.7441 0.3579 1
1716 3058 -3.995 0.000 0.8320 0.4540 1
1716 3140 20.026 0.000 0.7574 0.3624 1
1716 3214 91.063 0.000 0.7417 0.3522 1
1716 3308 -22.021 0.000 0.8622 0.4749 1
1716 3343 -12.010 0.000 0.7936 0.4985 1
1716 3928 11.964 0.000 0.8104 0.4873 1
1718 1733 -1.008 0.000 0.7447 0.8630 1
1718 1844 -18.011 0.000 0.8071 0.8211 1
1718 2069 -27.995 0.000 0.8220 0.7550 1
1718 2151 -46.005 0.000 0.7566 0.5453 1
1718 2604 -23.019 0.000 0.7134 0.6443 1
1719 1851 56.062 0.000 0.7710 0.3831 1
1719 1877 12.001 0.000 0.7564 0.3811 1
1724 1768 -70.114 0.000 0.7887 0.3769 1
1724 1775 -82.078 0.000 0.7497 0.3949 1
1724 1828 -68.099 0.000 0.8510 0.3137 1
1724 1938 77.015 0.000 0.7264 0.4548 1
1724 1962 -44.027 0.000 0.7471 0.4051 1
1724 1985 -14.995 0.000 0.7282 0.1974 1
1724 2193 -28.031 0.000 0.7812 0.4062 1
1724 2214 -37.014 0.000 0.7132 0.2378 1
1724 2299 1.979 0.000 0.7781 0.2915 1
1724 2328 96.099 0.000 0.7209 0.1882 1
1724 2339 -86.110 0.000 0.7492 0.2836 1
1724 2353 -0.000 0.000 0.7504 0.2553 1
1724 2419 54.047 0.000 0.7536 0.2953 1
1724 2492 44.026 0.000 0.7511 0.4571 1
1724 2504 -66.084 0.000 0.7973 0.3814 1
1724 2508 -56.063 0.000 0.8700 0.3446 1
1724 2512 -38.052 0.000 0.7966 0.3696 1
1724 2539 -2.016 0.000 0.7370 0.2838 1
1724 2557 -56.063 0.000 0.7146 0.3631 1
1724 2558 -70.078 0.000 0.7233 0.4028 1
1724 2559 -54.082 0.000 0.8280 0.3390 1
1724 2569 -0.000 0.000 0.8126 0.3095 1
1724 2612 -12.167 0.000 0.7120 0.2832 1
1724 2917 -2.016 0.000 0.7542 0.2384 1
1724 2985 -28.068 0.000 0.7489 0.3340 1
1724 2987 -26.052 0.000 0.8011 0.2675 1
1724 3001 -44.026 0.000 0.7847 0.4094 1
1724 3130 -84.131 0.000 0.7882 0.3659 1
1724 3184 -68.099 0.000 0.7936 0.2559 1
1724 3204 -26.052 0.000 0.7993 0.3365 1
1724 3300 -10.021 0.000 0.7339 0.3199 1
1724 3364 -30.047 0.000 0.7327 0.3758 1
1724 3465 -110.146 0.000 0.7464 0.3051 1
1724 3475 -8.002 0.000 0.7174 0.1956 1
1724 3480 -140.157 0.000 0.7308 0.3351 1
1724 3680 -17.035 0.000 0.7322 0.1860 1
1724 3865 -3.020 0.000 0.7974 0.3252 1
1724 3913 10.042 0.000 0.7741 0.2406 1
1724 3922 -14.016 0.000 0.7075 0.3050 1
1724 3946 56.026 0.000 0.7918 0.3019 1
1724 3947 -4.022 0.000 0.7860 0.2694 1
1724 4093 -31.051 0.000 0.7478 0.1956 1
1724 4148 -8.024 0.000 0.7489 0.1747 1
1730 2092 108.094 0.000 0.9281 0.8445 1
1730 2392 162.141 0.000 0.7422 0.5598 1
1730 4672 -108.093 0.000 0.8345 0.5239 1
1733 1844 -17.003 0.000 0.7787 0.8336 1
1733 2141 6.903 0.000 0.7117 0.4974 1
1733 3595 -8.096 0.000 0.7249 0.5529 1
1734 1783 251.163 0.000 0.7099 0.3408 1
1734 1985 307.167 0.000 0.7650 0.3926 1
1734 2361 295.190 0.000 0.7600 0.4186 1
1734 4329 -99.068 0.000 0.9308 0.5789 1
1734 5022 0.000 0.000 1.0000 1.0000 1
1749 1799 58.042 0.000 0.8399 0.7416 1
1749 1817 30.011 0.000 0.8374 0.7416 1
1749 2213 182.204 0.000 0.8547 0.3692 1
1749 2226 226.230 0.000 0.7022 0.3231 1
1749 3612 50.125 0.000 0.7447 0.3668 1
1749 3938 102.068 0.000 0.7070 0.4793 1
1749 4159 308.184 0.000 0.7764 0.5914 1
1760 1975 -28.031 0.000 0.9910 0.9649 1
1760 2317 -266.261 0.000 0.8382 0.8452 1
1760 2465 -236.251 0.000 0.8348 0.8168 1
1763 4038 -5.999 0.000 0.9025 0.4860 1
1766 1886 51.926 0.000 0.7208 0.6845 1
1766 2100 -88.052 0.000 0.8063 0.4215 1
1768 1775 -11.964 0.000 0.7733 0.4338 1
1768 1783 -0.884 0.000 0.7249 0.2336 1
1768 1828 2.015 0.000 0.9375 0.3894 1
1768 1938 147.130 0.000 0.7848 0.2542 1
1768 1962 26.088 0.000 0.8342 0.3520 1
1768 1965 71.963 0.000 0.7844 0.2950 1
1768 2144 61.095 0.000 0.7655 0.2387 1
1768 2193 42.083 0.000 0.7901 0.4332 1
1768 2299 72.094 0.000 0.8881 0.3750 1
1768 2339 -15.995 0.000 0.8792 0.4334 1
1768 2353 70.114 0.000 0.8232 0.3576 1
1768 2419 124.161 0.000 0.8918 0.3941 1
1768 2492 114.140 0.000 0.8375 0.3168 1
1768 2504 4.031 0.000 0.8304 0.4209 1
1768 2508 14.051 0.000 0.8238 0.4232 1
1768 2512 32.062 0.000 0.8428 0.3975 1
1768 2539 68.098 0.000 0.8979 0.3903 1
1768 2557 14.051 0.000 0.8354 0.4037 1
1768 2558 0.036 0.000 0.7077 0.3076 1
1768 2559 16.032 0.000 0.8729 0.4434 1
1768 2600 -37.973 0.000 0.7268 0.3080 1
1768 2610 101.088 0.000 0.7047 0.3119 1
1768 2769 -4.867 0.000 0.7764 0.2540 1
1768 2803 25.132 0.000 0.7568 0.2638 1
1768 2834 87.202 0.000 0.7241 0.3066 1
1768 2982 41.127 0.000 0.7774 0.2929 1
1768 2985 42.046 0.000 0.8807 0.4232 1
1768 2987 44.062 0.000 0.9114 0.3750 1
1768 3001 26.088 0.000 0.7756 0.3980 1
1768 3008 25.186 0.000 0.7282 0.2503 1
1768 3083 54.083 0.000 0.8159 0.4104 1
1768 3130 -14.016 0.000 0.9361 0.4723 1
1768 3204 44.062 0.000 0.8691 0.4803 1
1768 3214 27.110 0.000 0.7848 0.3294 1
1768 3246 208.182 0.000 0.7988 0.3366 1
1768 3308 -85.974 0.000 0.7173 0.2454 1
1768 3364 40.067 0.000 0.8503 0.3213 1
1768 3408 14.015 0.000 0.7288 0.2915 1
1768 3465 -40.032 0.000 0.8286 0.3024 1
1768 3480 -70.043 0.000 0.7973 0.3358 1
1768 3865 67.095 0.000 0.9157 0.3461 1
1768 3922 56.098 0.000 0.8292 0.3844 1
1768 3946 126.141 0.000 0.9531 0.3894 1
1768 3947 66.092 0.000 0.9175 0.3619 1
1768 3960 -12.001 0.000 0.9443 0.3880 1
1768 4093 39.064 0.000 0.9152 0.3615 1
1768 4329 -351.116 0.000 0.7029 0.1610 1
1768 4608 149.109 0.000 0.7308 0.2066 1
1774 2083 17.038 0.000 0.7116 0.7027 1
1774 2469 -11.989 0.000 0.7211 0.5346 1
1774 2645 -210.136 0.000 0.7529 0.4626 1
1774 2666 -40.020 0.000 0.7217 0.4530 1
1774 2770 -97.052 0.000 0.7722 0.4719 1
1774 2836 -210.137 0.000 0.7045 0.3794 1
1774 2916 -79.042 0.000 0.7088 0.7483 1
1774 3031 -196.121 0.000 0.7336 0.3953 1
1774 3054 -12.013 0.000 0.7368 0.4382 1
1774 3081 -196.121 0.000 0.7789 0.5193 1
1774 3139 -225.137 0.000 0.7649 0.6383 1
1774 3596 -54.036 0.000 0.7145 0.4619 1
1774 4193 -38.004 0.000 0.8220 0.7008 1
1774 4203 -170.105 0.000 0.7077 0.5115 1
1774 4544 -259.121 0.000 0.7089 0.4272 1
1775 1828 13.979 0.000 0.8180 0.5133 1
1775 1892 52.068 0.000 0.7123 0.4960 1
1775 1962 38.052 0.000 0.7530 0.3534 1
1775 2126 82.078 0.000 0.7535 0.5255 1
1775 2193 54.047 0.000 0.8984 0.7794 1
1775 2299 84.058 0.000 0.8349 0.4882 1
1775 2339 -4.031 0.000 0.7751 0.4460 1
1775 2419 136.125 0.000 0.7839 0.4116 1
1775 2492 126.105 0.000 0.8165 0.4850 1
1775 2504 15.995 0.000 0.8982 0.7515 1
1775 2508 26.015 0.000 0.7863 0.4781 1
1775 2512 44.026 0.000 0.8968 0.7592 1
1775 2539 80.062 0.000 0.7049 0.2964 1
1775 2557 26.016 0.000 0.8026 0.7219 1
1775 2558 12.000 0.000 0.8174 0.4515 1
1775 2559 27.996 0.000 0.8202 0.5607 1
1775 2569 82.078 0.000 0.8273 0.5281 1
1775 2612 69.912 0.000 0.7093 0.3984 1
1775 2917 80.062 0.000 0.7368 0.3080 1
1775 2931 52.031 0.000 0.7386 0.3383 1
1775 2985 54.011 0.000 0.7542 0.5015 1
1775 2987 56.026 0.000 0.8374 0.4636 1
1775 3001 38.052 0.000 0.8519 0.7429 1
1775 3130 -2.052 0.000 0.7425 0.3330 1
1775 3184 13.979 0.000 0.8171 0.3955 1
1775 3204 56.026 0.000 0.8461 0.5808 1
1775 3300 72.057 0.000 0.7986 0.5412 1
1775 3465 -28.068 0.000 0.7017 0.2661 1
1775 3480 -58.078 0.000 0.7075 0.3396 1
1775 3600 54.047 0.000 0.7435 0.3227 1
1775 4093 51.028 0.000 0.7529 0.3375 1
1777 1906 22.000 0.000 0.8228 0.3701 1
1782 2469 105.047 0.000 0.7082 0.3295 1
1783 2144 61.979 0.000 0.7691 0.3599 1
1783 2214 33.984 0.000 0.7677 0.3011 1
1783 2361 44.027 0.000 0.7501 0.2968 1
1783 2379 104.026 0.000 0.7584 0.3565 1
1783 2402 78.011 0.000 0.7863 0.3181 1
1783 2539 68.983 0.000 0.7215 0.2813 1
1783 2557 14.936 0.000 0.7029 0.3487 1
1783 2600 -37.089 0.000 0.7994 0.4656 1
1783 2610 101.972 0.000 0.7049 0.4046 1
1783 2769 -3.982 0.000 0.7105 0.3382 1
1783 2789 0.012 0.000 0.7267 0.3096 1
1783 2982 42.011 0.000 0.7088 0.3895 1
1783 2985 42.931 0.000 0.7233 0.2849 1
1783 3008 26.071 0.000 0.7130 0.4046 1
1783 3047 -198.136 0.000 0.7191 0.3226 1
1783 3058 -67.063 0.000 0.7459 0.3488 1
1783 3083 54.967 0.000 0.7242 0.2992 1
1783 3130 -13.132 0.000 0.7297 0.2524 1
1783 3140 -43.043 0.000 0.7528 0.3586 1
1783 3214 27.995 0.000 0.8274 0.4333 1
1783 3308 -85.090 0.000 0.8136 0.4605 1
1783 3364 40.951 0.000 0.7687 0.3555 1
1783 3745 36.995 0.000 0.7443 0.2488 1
1783 3922 56.983 0.000 0.7479 0.3326 1
1783 3928 -51.105 0.000 0.7652 0.3835 1
1783 3947 66.976 0.000 0.7227 0.1933 1
1783 5022 -251.163 0.000 0.7099 0.3408 1
1791 3030 -256.257 0.000 0.8703 0.3022 1
1793 1825 -14.016 0.000 0.7225 0.4382 1
1793 2680 100.052 0.000 0.7338 0.4583 1
1793 2801 -33.984 0.000 0.8315 0.5767 1
1799 1817 -28.031 0.000 0.9990 1.0000 1
1799 2213 124.162 0.000 0.7371 0.2979 1
1799 2226 168.188 0.000 0.8575 0.3728 1
1799 3612 -7.917 0.000 0.7315 0.3383 1
1799 3665 256.241 0.000 0.7041 0.3697 1
1799 3938 44.027 0.000 0.8012 0.5187 1
1801 1974 -48.000 0.000 0.8529 0.6050 1
1801 3049 -214.131 0.000 0.7300 0.6219 1
1805 2251 43.932 0.000 0.7450 0.4472 1
1805 2592 11.963 0.000 0.7895 0.4820 1
1805 2773 29.917 0.000 0.7602 0.3028 1
1805 3569 11.963 0.000 0.7602 0.4528 1
1805 3596 116.026 0.000 0.7888 0.4316 1
1805 3862 116.027 0.000 0.7512 0.4251 1
1805 3981 100.052 0.000 0.7199 0.3569 1
1805 4706 49.995 0.000 0.7548 0.4248 1
1810 2834 143.074 0.000 0.7255 0.3296 1
1817 2213 152.193 0.000 0.7298 0.2979 1
1817 2226 196.219 0.000 0.8480 0.3728 1
1817 2270 264.158 0.000 0.7598 0.6088 1
1817 3612 20.114 0.000 0.7218 0.3383 1
1825 2289 -33.984 0.000 0.8227 0.4675 1
1825 2680 114.068 0.000 0.7051 0.3777 1
1825 4623 -49.979 0.000 0.7458 0.4723 1
1828 1892 38.089 0.000 0.7227 0.4060 1
1828 1938 145.115 0.000 0.7662 0.2523 1
1828 1962 24.073 0.000 0.8506 0.2805 1
1828 1965 69.948 0.000 0.7751 0.1812 1
1828 2126 68.099 0.000 0.8584 0.6100 1
1828 2193 40.068 0.000 0.8601 0.5509 1
1828 2299 70.079 0.000 0.9319 0.7398 1
1828 2492 112.125 0.000 0.8590 0.3536 1
1828 2504 2.016 0.000 0.9016 0.6854 1
1828 2508 12.036 0.000 0.8947 0.5774 1
1828 2512 30.047 0.000 0.8971 0.6059 1
1828 2557 12.036 0.000 0.8511 0.5141 1
1828 2558 -1.979 0.000 0.7724 0.3028 1
1828 2559 14.017 0.000 0.9515 0.5966 1
1828 2569 68.099 0.000 0.9472 0.6308 1
1828 2612 55.932 0.000 0.8431 0.6619 1
1828 2985 40.031 0.000 0.8943 0.4504 1
1828 2987 42.047 0.000 0.9508 0.8628 1
1828 3001 24.073 0.000 0.8477 0.5452 1
1828 3083 52.068 0.000 0.8109 0.3800 1
1828 3130 -16.031 0.000 0.9272 0.3372 1
1828 3184 0.000 0.000 0.9428 0.8301 1
1828 3204 42.047 0.000 0.9257 0.5260 1
1828 3300 58.078 0.000 0.8356 0.4733 1
1828 3408 12.000 0.000 0.7438 0.2682 1
1828 3465 -42.047 0.000 0.8543 0.2466 1
1828 3480 -72.057 0.000 0.8204 0.2687 1
1828 3600 40.068 0.000 0.8536 0.5951 1
1828 3946 124.126 0.000 0.9574 0.7882 1
1828 3960 -14.016 0.000 0.9868 0.8146 1
1842 3465 40.888 0.000 0.7945 0.2211 1
1844 2151 -27.995 0.000 0.8470 0.5110 1
1844 2604 -5.008 0.000 0.7479 0.6863 1
1844 2834 -87.105 0.000 0.7315 0.4500 1
1844 2966 14.906 0.000 0.7078 0.4884 1
1844 4077 -71.110 0.000 0.7245 0.4053 1
1854 2083 -2.005 0.000 0.7341 0.5084 1
1854 2141 26.027 0.000 0.9181 0.4454 1
1854 2188 -10.009 0.000 0.8880 0.4693 1
1854 2192 -113.084 0.000 0.7294 0.5406 1
1854 2578 -10.010 0.000 0.8838 0.5643 1
1854 2594 -39.036 0.000 0.7444 0.5269 1
1854 2598 -26.004 0.000 0.7688 0.5886 1
1854 3059 -145.042 0.000 0.7741 0.5797 1
1854 3406 11.975 0.000 0.7476 0.4902 1
1854 4003 -170.105 0.000 0.7150 0.4942 1
1859 2545 -32.026 0.000 0.8828 0.6799 1
1861 2322 -14.017 0.000 0.9333 0.6984 1
1861 2499 14.015 0.000 0.7696 0.4575 1
1861 2919 -42.047 0.000 0.7174 0.5590 1
1861 2938 -30.011 0.000 0.7319 0.6171 1
1861 4014 -290.166 0.000 0.8078 0.5388 1
1861 4207 -322.189 0.000 0.8254 0.5414 1
1868 2438 -113.103 0.000 0.7473 0.6238 1
1868 2602 43.031 0.000 0.9309 0.5724 1
1868 2682 -113.047 0.000 0.7515 0.6322 1
1868 2976 29.015 0.000 0.8158 0.4270 1
1868 3050 -130.037 0.000 0.7425 0.4796 1
1868 3642 -33.984 0.000 0.8776 0.4916 1
1874 1938 -18.094 0.000 0.7988 0.3329 1
1874 1939 -31.115 0.000 0.7139 0.2951 1
1874 1965 -93.261 0.000 0.7056 0.1982 1
1874 2126 -95.110 0.000 0.7538 0.4521 1
1874 2299 -93.130 0.000 0.7895 0.5486 1
1874 2419 -41.063 0.000 0.7535 0.4808 1
1874 2492 -51.084 0.000 0.7946 0.2566 1
1874 2859 42.958 0.000 0.7270 0.3433 1
1874 3246 42.958 0.000 0.7224 0.3415 1
1874 4114 -11.051 0.000 0.7029 0.4775 1
1874 4511 -50.063 0.000 0.8279 0.3749 1
1875 2682 -2.999 0.000 0.7502 0.5937 1
1875 3529 -48.000 0.000 0.7448 0.5742 1
1884 1938 79.031 0.000 0.7083 0.3978 1
1884 1962 -42.011 0.000 0.7162 0.3947 1
1884 2193 -26.016 0.000 0.7001 0.4598 1
1884 2335 -28.031 0.000 0.8014 0.4071 1
1884 2508 -54.047 0.000 0.7488 0.3933 1
1884 2569 2.016 0.000 0.7691 0.3935 1
1884 2610 32.989 0.000 0.7121 0.4326 1
1884 2834 19.104 0.000 0.7872 0.4040 1
1884 2966 121.114 0.000 0.7836 0.3501 1
1884 3368 -8.972 0.000 0.7405 0.3535 1
1884 3536 -15.995 0.000 0.7045 0.4595 1
1884 4077 35.099 0.000 0.7798 0.3178 1
1892 1962 -14.016 0.000 0.7036 0.3770 1
1892 2126 30.010 0.000 0.7237 0.4443 1
1892 2193 1.979 0.000 0.7646 0.5916 1
1892 2339 -56.099 0.000 0.7346 0.4497 1
1892 2419 84.057 0.000 0.7010 0.3770 1
1892 2512 -8.042 0.000 0.7167 0.3690 1
1892 2559 -24.072 0.000 0.7379 0.4016 1
1892 2569 30.011 0.000 0.7286 0.3898 1
1892 2985 1.943 0.000 0.7344 0.4384 1
1892 2987 3.959 0.000 0.7022 0.3331 1
1892 3001 -14.016 0.000 0.7703 0.5639 1
1892 3204 3.958 0.000 0.7577 0.4538 1
1906 4649 4.951 0.000 0.7207 0.2774 1
1935 3997 -28.932 0.000 0.7207 0.3469 1
1938 1962 -121.042 0.000 0.7098 0.2942 1
1938 2083 23.052 0.000 0.7001 0.3738 1
1938 2126 -77.016 0.000 0.7828 0.3707 1
1938 2193 -105.047 0.000 0.7226 0.4291 1
1938 2299 -75.036 0.000 0.7753 0.2945 1
1938 2328 19.083 0.000 0.8132 0.2735 1
1938 2339 -163.125 0.000 0.7273 0.2420 1
1938 2353 -77.015 0.000 0.7263 0.2821 1
1938 2379 -43.988 0.000 0.7296 0.3001 1
1938 2402 -70.003 0.000 0.7166 0.2267 1
1938 2419 -22.969 0.000 0.7566 0.3297 1
1938 2492 -32.989 0.000 0.8020 0.5535 1
1938 2508 -133.078 0.000 0.7030 0.2705 1
1938 2512 -115.067 0.000 0.7325 0.3370 1
1938 2539 -79.031 0.000 0.7945 0.3316 1
1938 2557 -133.078 0.000 0.7231 0.3022 1
1938 2559 -131.097 0.000 0.7035 0.2571 1
1938 2569 -77.015 0.000 0.7969 0.2502 1
1938 2764 -39.904 0.000 0.7131 0.2768 1
1938 2834 -59.927 0.000 0.7782 0.4450 1
1938 2859 61.053 0.000 0.7401 0.3855 1
1938 2917 -79.031 0.000 0.7979 0.2240 1
1938 2966 42.083 0.000 0.7409 0.4311 1
1938 2985 -105.083 0.000 0.7824 0.3284 1
1938 2987 -103.067 0.000 0.7707 0.2318 1
1938 3083 -93.047 0.000 0.7404 0.2606 1
1938 3130 -161.146 0.000 0.7812 0.2476 1
1938 3204 -103.068 0.000 0.7309 0.3411 1
1938 3246 61.053 0.000 0.7338 0.3497 1
1938 3300 -87.036 0.000 0.7273 0.2895 1
1938 3332 57.046 0.000 0.7309 0.4051 1
1938 3364 -107.063 0.000 0.7465 0.3081 1
1938 3368 -88.003 0.000 0.7363 0.3330 1
1938 3600 -105.047 0.000 0.7554 0.2453 1
1938 3680 -94.050 0.000 0.7826 0.2449 1
1938 3865 -80.035 0.000 0.7872 0.2133 1
1938 3895 -77.015 0.000 0.8130 0.2449 1
1938 3913 -66.974 0.000 0.8380 0.2838 1
1938 3922 -91.031 0.000 0.7345 0.2405 1
1938 3946 -20.989 0.000 0.8004 0.2721 1
1938 3947 -81.038 0.000 0.7884 0.2200 1
1938 4077 -43.932 0.000 0.7763 0.4060 1
1938 4093 -108.066 0.000 0.7903 0.2585 1
1938 4511 -31.969 0.000 0.8007 0.4516 1
1938 4608 1.979 0.000 0.7281 0.5196 1
1939 2916 -60.007 0.000 0.7505 0.3368 1
1939 3901 18.048 0.000 0.7033 0.4684 1
1939 4167 -41.026 0.000 0.7157 0.5468 1
1946 2438 48.976 0.000 0.7051 0.5410 1
1946 3430 -14.016 0.000 0.7586 0.4849 1
1946 4102 49.979 0.000 0.9357 0.6322 1
1948 2462 -168.190 0.000 0.7665 0.4407 1
1951 2064 -33.984 0.000 0.8239 0.4888 1
1951 2192 78.073 0.000 0.7877 0.3464 1
1951 4252 42.048 0.000 0.8754 0.5668 1
1951 4660 -33.984 0.000 0.8568 0.4941 1
1951 4838 14.016 0.000 0.8202 0.4688 1
1955 2040 -28.031 0.000 0.7668 0.4343 1
1955 2682 -30.010 0.000 0.7231 0.4919 1
1955 3866 83.018 0.000 0.7273 0.4623 1
1962 2126 44.026 0.000 0.7560 0.3111 1
1962 2193 15.995 0.000 0.8006 0.4005 1
1962 2299 46.006 0.000 0.7974 0.2727 1
1962 2328 140.125 0.000 0.8084 0.2397 1
1962 2339 -42.083 0.000 0.8436 0.3340 1
1962 2419 98.073 0.000 0.8661 0.3353 1
1962 2492 88.053 0.000 0.7818 0.3771 1
1962 2504 -22.057 0.000 0.8057 0.3461 1
1962 2508 -12.037 0.000 0.7807 0.2921 1
1962 2512 5.974 0.000 0.8014 0.3342 1
1962 2539 42.011 0.000 0.7951 0.3155 1
1962 2557 -12.036 0.000 0.7732 0.3430 1
1962 2558 -26.052 0.000 0.7382 0.3814 1
1962 2559 -10.056 0.000 0.8440 0.3852 1
1962 2569 44.026 0.000 0.8521 0.3279 1
1962 2769 -30.954 0.000 0.7065 0.2885 1
1962 2859 182.095 0.000 0.7104 0.2168 1
1962 2985 15.959 0.000 0.8095 0.3935 1
1962 2987 17.974 0.000 0.8118 0.2540 1
1962 3001 0.000 0.000 0.7756 0.4190 1
1962 3083 27.995 0.000 0.7148 0.2888 1
1962 3130 -40.104 0.000 0.8234 0.3497 1
1962 3184 -24.073 0.000 0.8337 0.2970 1
1962 3204 17.974 0.000 0.8205 0.3715 1
1962 3246 182.095 0.000 0.7312 0.2629 1
1962 3300 34.006 0.000 0.7446 0.2764 1
1962 3364 13.979 0.000 0.7508 0.3018 1
1962 3465 -66.120 0.000 0.7541 0.3040 1
1962 3480 -96.130 0.000 0.7891 0.3745 1
1962 3680 26.992 0.000 0.7902 0.2405 1
1962 3865 41.007 0.000 0.7866 0.2081 1
1962 3922 30.011 0.000 0.7396 0.2814 1
1962 3946 100.053 0.000 0.8510 0.2529 1
1962 4093 12.976 0.000 0.7967 0.2567 1
1962 4511 89.073 0.000 0.7184 0.3350 1
1965 2299 0.130 0.000 0.7238 0.2151 1
1965 2339 -87.958 0.000 0.7348 0.2354 1
1965 2460 -70.078 0.000 0.7779 0.2375 1
1965 2539 -3.865 0.000 0.7569 0.2472 1
1965 2557 -57.912 0.000 0.7008 0.1917 1
1965 2569 -1.849 0.000 0.7354 0.1729 1
1965 2677 -42.047 0.000 0.7695 0.1967 1
1965 2769 -76.830 0.000 0.7026 0.3146 1
1965 2985 -29.917 0.000 0.7367 0.2185 1
1965 3130 -85.979 0.000 0.7688 0.2508 1
1965 3364 -31.896 0.000 0.7384 0.2934 1
1965 3465 -111.995 0.000 0.7371 0.2847 1
1965 3680 -18.884 0.000 0.7572 0.1759 1
1965 3865 -4.868 0.000 0.7761 0.2417 1
1965 3947 -5.871 0.000 0.7679 0.1863 1
1969 2469 147.067 0.000 0.7510 0.4045 1
1969 2666 119.036 0.000 0.7170 0.3929 1
1969 2935 87.064 0.000 0.7973 0.4992 1
1969 2942 71.033 0.000 0.8322 0.5256 1
1969 3993 -95.095 0.000 0.7151 0.4273 1
1969 4445 -155.134 0.000 0.7093 0.2578 1
1975 2317 -238.230 0.000 0.8304 0.8403 1
1975 2465 -208.220 0.000 0.8198 0.8037 1
1975 4172 -236.251 0.000 0.8828 0.5259 1
1979 3133 30.047 0.000 0.8212 0.5391 1
1981 2219 131.092 0.000 0.7544 0.4842 1
1981 2308 151.064 0.000 0.7388 0.3549 1
1981 2844 0.000 0.000 0.9898 0.8725 1
1981 2929 -33.984 0.000 0.8660 0.3656 1
1981 2934 -14.016 0.000 0.9327 0.4367 1
1981 2939 33.985 0.000 0.8540 0.2751 1
1981 2941 -55.063 0.000 0.8422 0.3940 1
1981 2953 -2.016 0.000 0.8492 0.3937 1
1981 2958 48.000 0.000 0.7768 0.3672 1
1981 3596 262.132 0.000 0.7873 0.4005 1
1981 3645 17.953 0.000 0.8558 0.3918 1
1981 3862 262.132 0.000 0.7442 0.3464 1
1981 4002 31.970 0.000 0.8326 0.3057 1
1981 4246 -71.004 0.000 0.7047 0.3698 1
1981 4257 -163.062 0.000 0.8207 0.4184 1
1981 4729 31.979 0.000 0.8170 0.3074 1
1982 2382 1.997 0.000 0.9145 0.4582 1
1985 2492 59.021 0.000 0.7959 0.2371 1
1985 2769 -59.986 0.000 0.7720 0.2185 1
1985 2803 -29.987 0.000 0.7989 0.3784 1
1985 2834 32.083 0.000 0.7040 0.2432 1
1985 2982 -13.992 0.000 0.8143 0.3401 1
1985 3001 -29.031 0.000 0.7373 0.2789 1
1985 3008 -29.933 0.000 0.7488 0.2258 1
1985 3130 -69.135 0.000 0.8833 0.3020 1
1985 3214 -28.009 0.000 0.7905 0.2784 1
1985 3308 -141.093 0.000 0.7153 0.2423 1
1985 3364 -15.052 0.000 0.8376 0.2518 1
1985 4260 -161.060 0.000 0.7208 0.3687 1
1985 4329 -406.235 0.000 0.7505 0.2478 1
1985 4511 60.042 0.000 0.7820 0.2569 1
1985 5022 -307.167 0.000 0.7650 0.3926 1
1992 2411 33.984 0.000 0.7069 0.5925 1
1992 2419 41.026 0.000 0.7810 0.6112 1
1992 2764 24.090 0.000 0.7340 0.4602 1
1992 3981 -0.000 0.000 0.7692 0.7545 1
1992 4649 -72.021 0.000 0.7118 0.3369 1
1996 3922 56.839 0.000 0.7138 0.3300 1
2004 2204 15.960 0.000 0.7518 0.6065 1
2004 2787 29.966 0.000 0.8406 0.4714 1
2004 2988 -18.026 0.000 0.8461 0.5494 1
2004 3717 129.048 0.000 0.7452 0.4260 1
2004 4005 27.997 0.000 0.8476 0.5192 1
2004 4101 17.957 0.000 0.7670 0.3282 1
2010 2211 -15.958 0.000 0.8554 0.5295 1
2010 2438 13.012 0.000 0.7665 0.5793 1
2010 2682 13.068 0.000 0.7386 0.5508 1
2010 2919 26.052 0.000 0.8036 0.5910 1
2010 2922 26.052 0.000 0.7168 0.5488 1
2010 2933 -23.975 0.000 0.7504 0.5077 1
2010 2948 -329.230 0.000 0.7554 0.3808 1
2010 2993 -33.985 0.000 0.7668 0.4346 1
2010 3146 -49.979 0.000 0.8934 0.4731 1
2010 3499 -33.984 0.000 0.7199 0.4873 1
2010 3602 26.052 0.000 0.8114 0.5247 1
2010 3608 -131.095 0.000 0.7188 0.3828 1
2010 3994 -131.094 0.000 0.7520 0.5061 1
2010 4101 97.126 0.000 0.8543 0.4516 1
2010 4102 14.016 0.000 0.8913 0.5016 1
2010 4104 -131.095 0.000 0.7408 0.3469 1
2010 4716 -131.095 0.000 0.7188 0.3828 1
2022 2203 28.031 0.000 0.8343 0.6530 1
2023 2927 -12.036 0.000 0.7692 0.4821 1
2023 2955 14.016 0.000 0.9403 0.7053 1
2023 2971 -62.016 0.000 0.8974 0.6095 1
2023 3032 -12.037 0.000 0.7822 0.5423 1
2023 3225 -26.052 0.000 0.7301 0.3792 1
2023 3357 15.995 0.000 0.7277 0.3913 1
2023 4000 -76.031 0.000 0.7021 0.3922 1
2051 2511 -33.983 0.000 0.8759 0.5475 1
2051 2592 -48.000 0.000 0.8757 0.5537 1
2051 2761 -17.914 0.000 0.7061 0.4993 1
2051 3569 -48.000 0.000 0.8710 0.4918 1
2051 4603 -63.995 0.000 0.8658 0.5543 1
2051 4816 -33.984 0.000 0.7307 0.4718 1
2051 4964 -33.984 0.000 0.8156 0.4896 1
2051 4973 -14.016 0.000 0.8551 0.5156 1
2064 2327 114.072 0.000 0.7047 0.3153 1
2064 2592 48.000 0.000 0.8398 0.5044 1
2064 2630 42.047 0.000 0.7858 0.3248 1
2064 3569 48.000 0.000 0.8357 0.4806 1
2064 4611 -15.995 0.000 0.7961 0.5160 1
2064 4660 0.000 0.000 0.8240 0.4467 1
2069 2151 -18.011 0.000 0.8126 0.6025 1
2073 2420 -28.031 0.000 0.8996 0.6503 1
2083 2141 28.031 0.000 0.7718 0.5485 1
2083 2299 -98.088 0.000 0.7283 0.4227 1
2083 2328 -3.969 0.000 0.7327 0.3154 1
2083 2361 -127.039 0.000 0.7047 0.4639 1
2083 2379 -67.040 0.000 0.8024 0.4215 1
2083 2419 -46.021 0.000 0.7467 0.4334 1
2083 2492 -56.041 0.000 0.7826 0.3849 1
2083 2539 -102.083 0.000 0.7100 0.2889 1
2083 2594 -37.032 0.000 0.7590 0.4243 1
2083 2764 -62.957 0.000 0.7238 0.4605 1
2083 2770 -114.090 0.000 0.7318 0.4029 1
2083 2834 -82.979 0.000 0.7346 0.3683 1
2083 2859 38.001 0.000 0.7911 0.4979 1
2083 2985 -128.135 0.000 0.7602 0.5091 1
2083 2989 -15.932 0.000 0.7074 0.5554 1
2083 3083 -116.099 0.000 0.7178 0.3729 1
2083 3130 -184.198 0.000 0.7489 0.3618 1
2083 3139 -242.174 0.000 0.7639 0.5848 1
2083 3246 38.001 0.000 0.7974 0.5164 1
2083 3364 -130.115 0.000 0.7250 0.3246 1
2083 3840 -259.164 0.000 0.7089 0.3056 1
2083 3922 -114.083 0.000 0.7243 0.4249 1
2083 3996 -293.185 0.000 0.7125 0.3177 1
2083 4077 -66.985 0.000 0.7165 0.4663 1
2083 4221 -71.037 0.000 0.7327 0.5831 1
2083 4360 -528.317 0.000 0.7080 0.3299 1
2083 4511 -55.021 0.000 0.7007 0.3169 1
2083 4544 -276.159 0.000 0.7053 0.4097 1
2092 2392 54.047 0.000 0.8245 0.6963 1
2092 4672 -216.187 0.000 0.7754 0.4417 1
2119 2270 -44.026 0.000 0.7703 0.3730 1
2126 2193 -28.031 0.000 0.7955 0.5726 1
2126 2299 1.980 0.000 0.8930 0.7102 1
2126 2339 -86.109 0.000 0.7853 0.4671 1
2126 2419 54.047 0.000 0.8163 0.6114 1
2126 2492 44.026 0.000 0.7661 0.2954 1
2126 2504 -66.083 0.000 0.7673 0.4837 1
2126 2508 -56.063 0.000 0.7098 0.4031 1
2126 2512 -38.052 0.000 0.7922 0.5790 1
2126 2557 -56.062 0.000 0.9253 0.7601 1
2126 2558 -70.078 0.000 0.7249 0.3583 1
2126 2559 -54.082 0.000 0.8008 0.4738 1
2126 2569 0.000 0.000 0.8255 0.4834 1
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Spectral Match to Leu-Leu from NIST14
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25771075.62700524
30215930.265493877
30111822.459096137
23574758.866602387
28406655.73948867
273.1318
0.64
0.64
0
229
26854524.578690145
57383541.40394633
4142529.8624306
49566519.29494969
25676487.65940699
95432005.89739354
340.1841
1.25
1.25
0
24
3174454.6208452224
3115014.380422483
3119401.680122126
3229507.56156832
2546919.025552687
3796728.806266238
267.1451
0.55
0.55
0
16
Spectral Match to Phe-Thr from NIST14
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N)O
InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1
58978586.33883361
54052796.49388404
58638233.32306799
59318939.35459923
39489120.92637149
71529207.17489907
277.1546
1.37
1.37
0
35
cyclo-[Tyr-(4-hydroxy-Pro)]
27285191.64528793
19831199.02020869
36940124.22577687
17630259.06479898
32609975.881498605
4496666.7866608
460.2695
3.93
3.93
0
170
emorfazone
CCOc1c(N2CCOCC2)cnn(C)c1=O
"InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3"
600928.9105772438
94237.2979966996
1201857.8211544876
0.0
172768.37966061593
0.0
670.4458
7.45
7.45
0
335
82112529.55364986
22051434.54896157
81752367.26946776
82472691.83783199
40101401.7578808
391473.8982584995
218.1176
2.16
2.16
0
21
83561662.21782932
73596456.50236112
78154767.61426611
88968556.82139254
51129765.34322548
100556485.8933239
286.1508
0.32
0.32
0
17
9266572.947004668
22266495.471186537
668370.7150247936
17864775.17898454
4893197.73143106
43114452.75889312
333.2129
0.34
0.34
0
29
11041641.541620413
13606449.645900356
11249184.943496734
10834098.139744096
6647300.867280877
21957428.180243727
331.2015
2.26
2.26
0
116
14838074.326619186
150038158.57261893
14911984.015786983
14764164.637451394
37801373.16073399
284722301.0668808
189.1233
0.32
0.32
0
16
13339318.62665064
1267562.0867581202
9613699.207380854
17064938.045920428
2321469.075952226
2873.6997251941434
559.1432
3.08
3.08
0
189
2383539.2873102813
4751495.07730825
923397.2313241188
3843681.343296444
4668917.15807006
4850588.580394078
176.1059
7.14
7.14
0
278
22092075.19033814
11459782.842438256
29641859.294349223
14542291.086327052
13443579.614518346
9079226.715942146
433.2422
1.04
1.04
0
24
14352929.658044392
3086144.401841846
14021620.027983649
14684239.288105143
5656470.653184503
1752.9002306554466
276.1592
2.06
2.06
0
3
8014867.0006855875
3607009.27253052
16029734.001371177
0.0
6612850.33297262
0.0
1198.7645
5.21
5.21
0
28
3018853.5144408434
3271252.583330993
3065751.691445657
2971955.337436029
2031158.0276077776
4759366.05019885
350.1389
2.89
2.89
0
172
20898217.872996792
19969942.178293698
22723485.7338688
19072950.012124777
21351748.718839835
18311774.32963833
452.3946
6.04
6.04
0
42
13247608.463448808
14131660.00220804
12171011.892043322
14324205.034854284
14619730.659622127
13545975.21331113
556.4426
5.35
5.35
0
42
18865206.18060575
150804629.84546465
162263.91504700168
37568148.446164496
39708392.38439395
284120114.79874945
457.3014
0.83
0.83
0
16
11563885.887682185
3017962.894999488
12129918.023813313
10997853.751551056
5532931.974165727
0.0
254.874
3.29
3.29
0
78
14861951.764358208
14598061.410270302
15170509.8973504
14553393.631366016
14169488.436548648
15112348.97873629
343.2959
3.47
3.47
0
173
Massbank: Lauramidopropyl betaine|3-(Dodecanoylamino)propyl(carboxymethyl)dimethylammonium|carboxymethyl-[3-(dodecanoylamino)propyl]-dimethylazanium
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)=O
1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)/p+1
3492578.7783045154
809643.8067864247
3119943.402280227
3865214.154328803
1480206.1954957207
4968.9403352697145
290.1384
2.26
2.26
0
494
28389398.95495056
41617061.44001903
15386994.59173418
41391803.31816693
12322845.381738871
76770120.70995522
479.2976
1.41
1.41
0
108
1082009.486001354
11545688.970867552
0.0
2164018.972002708
1278925.7445207506
23865804.842483707
404.2259
1.27
1.27
0
24
6329042.65787787
992419.2592207504
10760681.713757996
1897403.601997743
1819435.308571376
0.0
856.526
3.74
3.74
0
21
65561710.04842479
27480528.698297262
68003073.35166316
63120346.74518642
28132392.367730945
26698292.294976853
306.1912
3.37
3.37
0
78
44708218.95280942
112238112.45858271
42066210.57418102
47350227.33143783
50507472.54586554
186314880.35384333
213.1232
0.52
0.52
0
16
4455080.009988009
2082754.1793299203
7868791.438110082
1041368.5818659352
3818382.6621048544
0.0
409.0193
2.94
2.94
0
12
6367796.375932998
1711400.348794595
9185728.797556505
3549863.954309491
3135553.3239489705
2416.778609344371
213.0658
2.41
2.41
0
21
99577301.59492277
12744199.74277744
7117612.773632108
192036990.4162134
23308842.632959783
66628.27455862291
298.2166
4.46
4.46
0
21
6470062.562609167
2418825.495659496
5402180.42516942
7537944.700048917
4176011.0001334897
310202.89029070403
404.2072
3.51
3.51
0
86
2635286.0500594517
2623391.5587986787
2705043.8898794404
2565528.210239462
1471129.9790106372
4006105.454544329
436.208
2.28
2.28
0
50
6356290.987421439
3416599.10523923
9576695.413483592
3135886.5613592863
6214876.209685468
58666.57990374657
247.1651
1.17
1.17
0
53
8096872.154030818
9521022.059060711
8869517.933727147
7324226.374334491
5657687.515441831
14157023.511403373
243.0768
1.91
1.91
0
252
1506645.724176097
1468146.3584337863
1504478.5888935402
1508812.859458654
818656.7504348955
2247533.888032455
406.2335
3.08
3.08
0
50
55029468.99117132
278354398.4687625
3082782.70028528
106976155.28205736
24902257.822998
582496967.2436799
329.1496
1.23
1.23
0
16
Spectral Match to Tyr-Phe from NIST14
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N
InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)
1184672.9234727083
289637.81054550526
2040734.031359513
328611.81558590336
531002.6526667597
0.0
288.1595
3.06
3.06
0
194
73091935.3158199
137735536.28482378
72085630.78323023
74098239.84840958
45325080.047003925
248628083.77020755
376.223
1.79
1.79
0
111
10889369.613052264
81770780.37537043
145075.72718478474
21633663.498919744
8047421.724517692
170238810.75639373
394.2335
1.33
1.33
0
20
4433223.482392364
4215983.506462322
4540452.959485007
4325994.005299721
2461320.850947221
6321578.693080443
349.1757
2.06
2.06
0
18
8689376.687404962
4670536.916459147
11636136.910720738
5742616.464089185
8232638.701544934
396014.7743562024
155.0814
0.39
0.39
0
119
15817339.24740178
14984929.16896638
15916078.13089706
15718600.363906505
15175453.703264682
14756299.727808412
195.9935
8.44
8.44
0
276
"1,4-dimethylhydroquinolin-2-one CollisionEnergy:205060"
Cc1cc(=O)n(C)c2ccccc12
"InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3"
11143941.213057851
2995055.658855396
6231034.058734515
16056848.367381187
5490935.374568226
0.0
557.3745
3.82
3.82
0
97
1037206.5047001968
1564485.8361971392
1014457.5428211984
1059955.466579195
648002.700319522
2664265.59925028
381.2174
3.62
3.62
0
116
73596080.54875717
12140166.96804424
29183616.25733835
118008544.840176
22247454.038762927
11422.483181816671
242.1539
3.08
3.08
0
21
21522158.943752524
7760322.843892789
25881738.23689671
17162579.65060834
13354640.569702225
1047141.57292147
603.3127
1.13
1.13
0
59
6932950.703948972
1473035.7946447674
13865901.407897944
0.0
2700565.623515407
0.0
658.7964
0.8
0.8
0
245
3702420.028503747
4591847.441015137
3483760.400499634
3921079.656507861
2268341.2486811667
7380054.871815902
360.1554
2.13
2.13
0
16
45902986.52997768
11926646.408088556
60571071.87259207
31234901.18736328
21833926.513950456
37910.28105427655
302.1751
3.42
3.42
0
194
2'-oxo-2-nonyl-4-quinolone N-oxide (2'-oxo-NQNO)
9261096.58761048
7864388.769711711
18395714.00808927
126479.16713169156
14418046.077804804
0.0
724.4839
5.48
5.48
0
1
8738343.779162789
58916294.54412839
7855724.171248049
9620963.387077527
6129714.354597804
122260190.77156508
320.1619
1.05
1.05
0
105
18800893.338639226
13079048.416027809
24292999.042452976
13308787.634825474
15491213.713574544
10184450.05897172
265.1156
1.14
1.14
0
484
22620998.369355906
18543307.095763072
27190974.32644576
18051022.41226605
23317360.11863648
12814443.468314976
284.889
0.22
0.22
0
284
268056284.23754057
723640299.902753
116835398.80504556
419277169.67003554
157050336.32133022
1403548256.20046
279.1338
0.7
0.7
0
16
5739789.939308231
4060224.6761881993
9895271.292374214
1584308.5862422509
6423235.571434499
1224611.6018926403
304.2999
4.21
4.21
0
32
213007.6167312105
13528172.058078336
0.0
426015.233462421
512218.5533438712
29147316.26375969
495.2804
0.65
0.65
0
16
7598949.549810407
5709930.052306375
9207944.65159322
5989954.448027593
4076586.381381138
7669942.457416658
352.2204
1.39
1.39
0
24
5578536.914407084
5573723.270072889
5642353.3595900005
5514720.469224167
3195964.664077122
8427033.597267808
295.1441
2.41
2.41
0
35
10782614.999544935
3597223.6148295687
20661760.28977493
903469.7093149428
6594909.960520876
0.0
146.0263
3.18
3.18
0
88
15341634.580869652
9497501.561380342
30238997.111063797
444272.0506755164
17412086.19586396
0.0
293.123
4.88
4.88
0
37
3561676.013791316
33956661.41078403
9408.18650392972
7113943.841078701
2150411.1903548897
72124161.67529899
187.1315
0.36
0.36
0
214
4478701.519445649
1982259.651967652
8937109.075044464
20293.963846835137
3634142.695274029
0.0
708.4525
5.48
5.48
0
28
25531491.117667515
19446514.785846338
14189751.740075408
36873230.49525964
8454102.117377283
32637409.988009203
558.3289
1.88
1.88
0
49
12216063.394491231
48223653.18361985
715441.6189153646
23716685.1700671
11159160.65541108
92701044.21747038
357.2492
0.4
0.4
0
156
Spectral Match to Ile-Pro-Lys from NIST14
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI=1S/C17H32N4O4/c1-3-11(2)14(19)16(23)21-10-6-8-13(21)15(22)20-12(17(24)25)7-4-5-9-18/h11-14H,3-10,18-19H2,1-2H3,(H,20,22)(H,24,25)/t11-,12-,13-,14-/m0/s1
14715423.509574892
6355383.152134007
19601194.586638283
9829652.43251151
10649142.523417784
1202871.9065934732
585.3239
1.28
1.28
0
221
27861690.605839748
81813602.47238712
29350364.66477327
26373016.54690622
31592963.222333487
142078369.57245147
213.1232
0.57
0.57
0
16
26152355.54686592
25421093.295250867
27822063.871692684
24482647.22203916
20895177.557169262
30852192.18094877
382.1756
1.41
1.41
0
24
17934474.887922753
1997637.1714154696
35868949.775845505
0.0
3662334.814261694
0.0
1333.6124
0.72
0.72
0
323
10726477.72857806
17028366.91458904
620933.0110885834
20832022.44606753
2868765.799203196
34019888.253052056
204.1177
0.62
0.62
0
359
16729859.67761006
15110034.163813038
26349362.863087524
7110356.4921325855
12958866.509456543
17691435.34904083
205.0971
0.93
0.93
0
437
L-Tryptophan
nan
nan
13376454.873400144
12880742.866107387
13115466.70782742
13637443.03897287
7718910.705348334
19074941.45901825
251.6708
1.17
1.17
0
214
46816705.39923643
41784872.969076864
43460518.23880818
50172892.559664704
38042371.54139503
46275874.68229505
227.1024
0.76
0.76
0
87
Spectral Match to PyroGlu-Pro from NIST14
C1CC(N(C1)C(=O)C2CCC(=O)N2)C(=O)O
InChI=1S/C10H14N2O4/c13-8-4-3-6(11-8)9(14)12-5-1-2-7(12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16)
156657407.96254596
134044729.3537908
156171304.7664735
157143511.15861836
98866706.4215983
176258356.8724218
276.1704
0.82
0.82
0
171
4821982.317085878
1392342.808824162
4765684.1956513645
4878280.438520392
2535508.110846632
20544.44639719798
274.1436
2.26
2.26
0
433
59735310.09351584
62422543.23240533
61128876.61906502
58341743.56796664
63770287.292123474
60805250.36074356
139.9879
8.4
8.4
0
140
281596540.97796094
469545220.7354019
143628630.86722752
419564451.0886944
153263897.97981772
849082808.042103
344.2542
1.5
1.5
0
70
21541412.17413844
304782291.2784725
689437.2096473174
42393387.13862956
15298617.198390836
652162700.1745704
382.2448
1.26
1.26
0
120
5177499.802476376
3936007.683625175
6073230.9961947845
4281768.60875797
4971451.767236392
2693474.783291714
167.0929
8.26
8.26
0
157
108314474.87591776
112894662.52845071
109727218.0554974
106901731.69633809
64556703.65286221
170900213.17915693
279.17
2.0
2.0
0
16
Spectral Match to Phe-Leu from NIST14
nan
nan
57692464.51074184
54724458.228461765
57954430.36257184
57430498.658911824
55638772.10672242
53627281.574548975
131.5336
8.41
8.41
0
241
32871504.01656251
33604904.079666086
24554924.26647745
41188083.76664757
17847649.989916604
52513608.98736547
362.1918
0.69
0.69
0
77
3883556.381329404
947560.5395302422
2303761.542268532
5463351.220390278
1737194.322472111
0.0
214.1227
2.3
2.3
0
21
27413494.70913241
26553593.889139995
54469260.34062165
357729.0776431843
48673231.09637582
10029.240456999018
578.425
5.79
5.79
0
1
17758821.653117996
19855097.13876089
15898727.258072158
19618916.048163828
20094846.942902368
19567397.37379112
468.3899
5.44
5.44
0
42
Panaxatriol
CC1(C)CCCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1
"InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1"
182429.5618948041
846054.4511840069
261670.34210600323
103188.78168360503
288271.08690506744
1515394.4883187343
183.0777
0.4
0.4
0
384
14372169.683589917
13643637.322054053
14888108.447845155
13856230.919334678
14354542.499362243
12790551.109284218
153.956
8.94
8.94
0
145
N-Acetyl-DL-alanine CollisionEnergy:205060
CC(O)=NC(C)C(=O)O
"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)"
2286758.8477496672
1663654.5248331942
3780407.238505842
793110.456993492
2412985.617183384
764457.2140129674
368.4252
5.86
5.86
0
230
14317533.73006234
5892401.829569437
14858872.688212192
13776194.771912487
5561683.67366089
6289263.6166596925
334.2226
3.99
3.99
0
78
21229528.22419581
4668260.443576723
21781015.986093845
20678040.462297782
8483666.436897036
89773.25159234984
276.1591
2.63
2.63
0
3
6263009.87142248
702525.6896427601
2992498.882226684
9533520.860618277
1287963.7643450603
0.0
499.2952
3.08
3.08
0
151
3371175.3123342595
4036319.301691586
3428940.618362518
3313410.006306
2437190.3190917573
5955274.08081138
225.1231
2.25
2.25
0
13
3197377.0591598973
1922639.2532099388
1891689.65736668
4503064.460953116
3399927.3413039483
149893.54749712846
260.1645
1.97
1.97
0
3
6001998.308551899
1749145.8035260402
7241587.713381314
4762408.903722483
3206767.306464407
0.0
309.0182
2.65
2.65
0
249
3131487.152970237
3813402.216988204
3759210.149219789
2503764.156720685
2327907.217514921
5595996.216356142
310.1747
1.24
1.24
0
165
1857315.874561748
548827.9674634046
3517892.5715667587
196739.17755673712
1006184.6070162418
0.0
446.9481
2.8
2.8
0
328
25448836.054079007
11197531.52698465
34117534.90807766
16780137.200080346
16393681.612754297
4962151.42406108
659.3403
1.84
1.84
0
347
9688771.43899299
8002127.38728553
10751464.10892606
8626078.769059923
9154928.472060466
6618766.085555604
138.1026
7.52
7.52
0
157
4368905.731679852
2261334.3039867203
5943216.796904168
2794594.666455536
2188109.1695351587
2349204.4653285947
268.1287
0.47
0.47
0
295
663866.485885491
667631.9635028135
617574.9705828462
710158.0011881357
380255.2048611723
1012484.0738727828
333.2179
3.54
3.54
0
116
22852496.26603724
195985705.66654003
2691735.298921119
43013257.233153366
39596731.48983356
383652474.6785878
237.1231
0.96
0.96
0
65
Massbank:RP016502 Ala-Phe|(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenylpropanoate
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
2482436.7712282767
1295694.276620055
4964873.542456552
0.0
2375439.507136768
0.0
1214.7987
5.49
5.49
0
28
21234530.786928236
31577183.271991417
12789285.51649736
29679776.0573591
9672458.664134253
57862852.80142002
286.1757
1.0
1.0
0
111
5208816.991782331
1263036.5409005778
5169013.941827428
5248620.041737233
2315566.991651059
0.0
248.128
1.64
1.64
0
3
6166396.885642738
2992028.460451739
7259117.561176129
5073676.21010935
3327684.276432364
2589241.481274989
503.2712
1.43
1.43
0
390
15630951.214952752
15146900.658073531
16223447.385767875
15038455.04413762
15981701.231028372
14145139.97052772
584.4735
6.01
6.01
0
42
10429449.022576155
10152746.159141816
10284987.07132671
10573910.973825602
5055206.775062638
16269793.420036832
359.2176
2.24
2.24
0
442
1003806.3783958796
587435.0437278883
1004518.6543015684
1003094.10249019
660384.3322402773
499895.8975130216
128.1184
8.36
8.36
0
23
1340133.065688832
3269.887409125542
0.0
2680266.131377664
5994.793583396827
0.0
593.4106
4.13
4.13
0
495
22083913.14950454
8333117.36101402
44167826.29900908
0.0
15277381.828525703
0.0
652.3044
0.73
0.73
0
380
31426670.207266662
25567732.267956942
31302635.863412783
31550704.55112055
20127943.30752232
32095479.0204785
408.1761
0.82
0.82
0
334
130422523.89527863
129618642.31399904
33805564.74889208
227039483.04166523
66999297.53912971
204761856.04384217
245.113
0.27
0.27
0
16
1933708.2217660963
2589895.397219968
1735887.2845510049
2131529.158981188
893604.1374914055
4625444.908894243
329.1475
2.31
2.31
0
24
348508432.7599276
283640139.1014495
412344016.561588
284672848.9582672
298428813.0389244
265893730.3764797
235.1188
0.4
0.4
0
100
Spectral Match to His-Pro from NIST14
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)O
InChI=1S/C11H16N4O3/c12-8(4-7-5-13-6-14-7)10(16)15-3-1-2-9(15)11(17)18/h5-6,8-9H,1-4,12H2,(H,13,14)(H,17,18)/t8-,9-/m0/s1
33406083.19472034
50361759.54824596
13879175.01511651
52932991.37432415
14647034.46643884
93219429.64641452
389.2389
0.44
0.44
0
14
1380245.4617091904
30951074.586583138
418491.8656037348
2341999.057814646
1487230.2501354103
66307687.79032041
237.1211
0.49
0.49
0
24
15129276.04436846
27394323.13459443
5578848.001354564
24679704.08738235
6233564.447619278
52787233.55896461
709.4826
1.5
1.5
0
24
3988300.050985064
1668081.75920674
7958517.965867922
18082.136102207744
3058149.8918790235
0.0
415.3418
6.05
6.05
0
28
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
CCC(O)CC1CCC(C(C)C(=O)OC(CC)CC2CCC(C(C)C(=O)O)O2)O1
InChI=1S/C22H38O7/c1-5-15(23)11-17-7-10-20(27-17)14(4)22(26)29-16(6-2)12-18-8-9-19(28-18)13(3)21(24)25/h13-20,23H,5-12H2,1-4H3,(H,24,25)
907156455.0227329
1483548211.6539824
384025628.9634609
1430287281.0820048
521212692.6175626
2638350834.497686
328.2229
1.34
1.34
0
111
35701202.12878874
15247108.702725638
71376879.08790305
25525.1696744212
27953032.62166367
0.0
678.2995
0.72
0.72
0
268
118196537.98116957
92966925.44659647
120384272.52771412
116008803.43462498
87273837.54726051
99798630.92579968
261.1235
1.07
1.07
0
68
50568914.65860761
46511044.7892916
55730685.967447214
45407143.34976804
53622094.07119748
37977785.65100454
382.8656
0.22
0.22
0
284
6843742.004314755
5943216.652281067
8195137.9298893185
5492346.078740192
6576416.207077465
5183377.186525392
178.1088
8.24
8.24
0
303
13772352.571142957
17163110.57147153
8962553.493830984
18582151.64845493
5514378.51433134
31141589.04003976
685.4855
1.5
1.5
0
73
8008692.810668629
2245094.5044868137
15502937.08511998
514448.5362172728
4116006.591559157
0.0
972.5096
1.22
1.22
0
287
34306091.039444566
7141993.3416119
37323222.19679659
31288959.882092558
12894186.35800632
239361.72193860024
286.1802
3.61
3.61
0
21
42747739.27961136
37415174.0458542
45116589.57163944
40378888.98758329
33259679.334050264
42401767.700018905
227.0814
1.35
1.35
0
252
cyclo-[L-(4-hydroxy-Pro)-L-leu]
8911603.914878689
8719382.869633894
9581844.495322578
8241363.334434799
9351759.95905307
7960530.362330888
332.9156
8.41
8.41
0
266
20445808.72352332
26878464.554902587
4333004.781482954
36558612.665563695
21146028.23998948
33757388.13279831
410.174
0.71
0.71
0
257
9625620.490983509
9795803.10937072
8460134.170084344
10791106.811882667
5680598.363033373
14734048.804975534
325.1505
0.67
0.67
0
295
37507370.00927379
4272156.4466977855
65402264.94017485
9612475.078372734
7832286.818945938
0.0
547.3535
3.63
3.63
0
21
59912663.27463595
48585803.72302114
72057808.1448967
47767518.4043752
55132301.620150805
40730006.24646555
124.0871
8.3
8.3
0
157
11619951.1454416
12679613.754586374
11429607.882885689
11810294.407997511
7868271.312128696
18453224.685535587
215.1175
2.03
2.03
0
204
1841409.142008383
465806.5941410122
2578674.4442170616
1104143.8397997047
853978.7559251891
0.0
503.2836
1.37
1.37
0
390
68932335.85882452
4513705.00053522
1282104.6873455795
136582567.03030345
8275125.83431457
0.0
543.3952
3.83
3.83
0
21
4270357.857729428
2345376.028792137
4176207.921710325
4364507.793748532
2107963.5751751903
2630270.9731324725
409.1834
3.8
3.8
0
180
118949997.62947889
1178343166.054397
125573777.23461896
112326218.02433877
451716545.9797973
2050295110.1439168
288.2028
0.55
0.55
0
17
Spectral Match to Arg-Ile from NIST14
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1
1794602.3916689076
1544267.253536552
1343123.5054510676
2246081.277886748
694018.8952177083
2564565.283519164
415.2916
2.1
2.1
0
125
10132075.18699876
3665331.1664382583
15012936.08061417
5251214.293383353
6719773.805136808
0.0
140.0342
0.45
0.45
0
21
1541270.8024161565
95776.15299828342
47885.72807690557
3034655.876755407
175589.61383018622
0.0
348.1339
3.1
3.1
0
132
1968890.798729556
16153612.73839518
1809916.0755938988
2127865.521865213
2248322.726377141
32839960.75281682
120.0806
1.62
1.62
0
16
23132787.550243877
4941092.460170742
29158861.42176149
17106713.67872626
9047096.70913968
13887.361408016372
302.2116
4.29
4.29
0
21
3816944.50827716
1124341.8307874512
7184771.113693212
449117.9028611073
2061293.3564436608
0.0
172.0422
2.94
2.94
0
207
8042156.610257794
1487680.9020742553
2545446.3043389325
13538866.916176656
2473511.1156914723
304684.6457335949
231.0764
1.97
1.97
0
132
14403209.582444835
25158664.15388157
4529748.329226472
24276670.8356632
5908141.138118908
48259291.772796765
415.2549
1.19
1.19
0
429
1049466.1260445926
94704002.6996678
0.0
2098932.252089185
2453544.951246143
205404551.99777377
401.2867
0.81
0.81
0
17
Spectral Match to Leu-Leu-Arg from NIST14
nan
nan
18575627.49797025
5577562.416415417
17739571.45063555
19411683.54530495
10215108.042200347
12507.665473500185
202.0863
1.75
1.75
0
21
11783746.256682156
5151018.923595922
11577168.838363849
11990323.67500046
4698141.065712408
5694472.353056141
311.1466
3.37
3.37
0
21
29480159.394464668
24378186.702594887
58608935.21021006
351383.57871927466
44693342.288090624
0.0
640.3909
4.32
4.32
0
28
3225362.8787951376
54112604.19574788
93756.47729648575
6356969.280293789
5980685.194511406
111870906.99723168
371.24
0.33
0.33
0
17
16201305.24611506
14284055.451386357
12546482.43721988
19856128.055010244
7245078.8009752
22730827.431879748
525.2706
1.32
1.32
0
16
17940900.986885957
12426275.462750375
35115235.02475082
766566.9490210902
22767678.13342312
16592.257943092398
376.3049
5.19
5.19
0
28
53878117.73248883
65297957.71251247
14064169.244587
93692066.22039066
25822403.59121543
112668622.65806893
295.1286
0.73
0.73
0
16
Spectral Match to Phe-Glu from NIST14
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI=1S/C14H18N2O5/c15-10(8-9-4-2-1-3-5-9)13(19)16-11(14(20)21)6-7-12(17)18/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/t10-,11-/m0/s1
3255857.9578960943
2120470.64323318
6511715.915792189
0.0
3887529.5125941634
0.0
1219.7538
5.49
5.49
0
48
4707803.7722147005
4810368.126423527
4612032.255737108
4803575.288692293
5050658.654019416
4522019.493308461
246.2429
2.79
2.79
0
320
Tetradecanoic acid
CCCCCCCCCCCCCC(=O)O
"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)"
679792281.169958
880663288.1527759
342629223.3752368
1016955338.9646792
363084317.0403428
1501758053.4876957
229.1546
1.23
1.23
0
16
Spectral Match to Pro-Leu from NIST14
nan
nan
30119889.40482137
30250519.940388534
29666253.568576712
30573525.241066027
17882303.827468954
45092379.27589204
313.1543
2.06
2.06
0
16
Spectral Match to Phe-Phe from NIST14
nan
nan
2159527.059138989
150142.8040209375
15609.729841696122
4303444.388436282
275261.80737171875
0.0
611.4206
4.23
4.23
0
495
474313.2385978222
797924.0145888418
507534.1702071738
441092.30698847055
1160459.010938017
362882.01896983176
596.5101
7.13
7.13
0
42
882443502.3121153
118311393.57060808
105018089.6541588
1659868914.970072
216469268.30026105
521943.8950244757
270.1854
3.79
3.79
0
21
NHQ_C9:db
1925443.8886896016
2680030.1406692937
1864594.8048853332
1986292.9724938704
1202469.617840544
4453102.768063793
333.2177
3.32
3.32
0
116
879164.1985484654
854600.4219643567
1403987.5498888055
354340.847208125
1077264.2710980426
587403.803003934
535.3972
7.81
7.81
0
198
19493183.91396801
17332809.448660687
20026388.046180364
18959979.781755667
13896908.55869419
21455890.516620487
327.1337
1.1
1.1
0
35
30698462.991364397
24568831.850512195
15225075.78827398
46171850.19445481
18528780.586217035
31816893.367666382
239.1016
0.56
0.56
0
16
197045720.92751977
25076835.677690387
60246013.41649958
333845428.4385399
43108804.91129237
3438472.5973680182
288.1958
4.26
4.26
0
21
2833.026174116392
769020.588304178
4565.953376728917
1100.098971503866
1409871.0785576596
0.0
421.24
2.84
2.84
0
36
5620949.388105952
2146589.857702448
11071718.368518077
170180.40769383012
3935414.739121154
0.0
583.3829
6.33
6.33
0
48
4050434.570995418
1170961.5030992904
8087384.077748332
13485.064242503047
2146762.755682032
0.0
275.1755
2.89
2.89
0
133
15455393.924501153
4434415.22671996
29877559.67258933
1033228.1764129888
8129761.248986593
0.0
726.3665
1.52
1.52
0
355
0.0
22665617.029040508
0.0
0.0
1082042.6090478313
48565906.33303172
511.3466
1.34
1.34
0
142
3724055.9985819543
2637027.5318304226
4309613.64121386
3138498.3559500487
2556992.6160490005
2733069.4307681294
295.1771
1.1
1.1
0
16
Spectral Match to Tyr-Ile from NIST14
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI=1S/C15H22N2O4/c1-3-9(2)13(15(20)21)17-14(19)12(16)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1
298158702.129752
7851501475.527591
29293044.065575708
567024360.1939284
1765595316.5971873
15154588866.244076
231.1702
0.98
0.98
0
16
Spectral Match to Val-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N
InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
6494155.411446436
10284885.776393171
5670759.614073642
7317551.20881923
3652982.229640412
18243170.03249649
460.313
0.99
0.99
0
14
78219462.69628383
49294789.43699658
154435399.03122944
2003526.361338216
90342279.55335584
37801.29736546778
359.2792
4.89
4.89
0
28
Rhamnolipid C10-C10 base lipid no sugar
12699738.88643849
200361144.73706463
2043797.4842275851
23355680.288649395
78165485.18803169
346995936.19590414
232.1737
0.93
0.93
0
93
28934914.78344886
134565893.89624894
278100.95955882955
57591728.6073389
26576861.40435421
264152732.8865226
525.2705
1.06
1.06
0
16
14253867.210697915
16623507.865119832
9060848.90086528
19446885.520530555
7145174.831884566
27997507.50500215
350.1742
1.27
1.27
0
77
5691047.424155723
5738883.362662071
5643619.761449686
5738475.08686176
4020574.5482379696
7800853.939970994
243.1128
1.65
1.65
0
81
6338457.196451653
901962.5131701448
465480.616792585
12211433.776110722
1653597.940811932
0.0
376.262
5.29
5.29
0
198
14642836.212186871
22972896.23641885
171960.84376956447
29113711.58060418
3819197.471889152
45957334.75385449
313.1212
0.7
0.7
0
30
2501104.649302336
300909.927846566
4374925.759276181
627283.539328491
551668.2010520376
0.0
331.0545
2.48
2.48
0
220
24776642.688459143
25718954.985834755
24981202.51440528
24572082.86251301
16435825.788727978
36858710.022362895
261.1596
2.26
2.26
0
35
cyclo(Phe-Leu)
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2
InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
103344092.39945556
94781381.3264429
114769380.98132277
91918803.8175884
110784337.5461548
75577833.86278865
262.9068
0.22
0.22
0
284
1357376.4700202022
1124095.7467715526
1362120.747239736
1352632.1928006688
843463.8462195281
1460854.0274339826
249.1347
1.35
1.35
0
352
Spectral Match to Met-Val from NIST14
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCSC)N
InChI=1S/C10H20N2O3S/c1-6(2)8(10(14)15)12-9(13)7(11)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
5371597.467609364
4768316.899066236
10573214.950086402
169979.9851323232
8741914.314954767
0.0
717.377
5.47
5.47
0
365
2819873.2661142647
1118381.6296601875
5607946.034516591
31800.497711938617
2050366.3210436772
0.0
581.3667
6.09
6.09
0
48
13075631.522215009
11434449.52945774
13482958.972061524
12668304.072368491
13248014.558392812
9258171.49473565
138.1026
7.46
7.46
0
157
3224346.007326499
952498.0315468104
6402588.026715446
46103.987937553
1733598.3064421583
15177.701672393228
435.3653
7.28
7.28
0
15
33092073.22322923
335689657.9570809
22055730.68512536
44128415.76133309
87174566.23834355
633907768.0195658
274.1871
0.33
0.33
0
17
Spectral Match to Val-Arg from NIST14
nan
nan
29909816.275854383
45811101.5972003
0.0
59819632.551708765
5432664.930999941
94265225.5966407
265.1217
0.33
0.33
0
30
1189905.1136839555
16653868.258728158
15489.573323039976
2364320.654044872
520953.922167448
36013365.46260101
414.2373
2.11
2.11
0
24
8621273.739395501
8752375.367499186
8297933.681906217
8944613.79688478
6704186.759396248
11210201.697222712
182.1176
1.41
1.41
0
119
9874905.265326748
3468700.5983834025
11980682.402904091
7769128.127749403
6359284.430369571
0.0
350.0446
2.65
2.65
0
249
12410963.224330436
7958361.178087966
24760170.16838716
61756.2802737116
14590328.826494604
0.0
653.2972
0.32
0.32
0
383
822017.1563693004
1094414.4219502013
170645.84666612226
1473388.4660724786
449278.7916966297
1868577.178254487
150.0526
0.25
0.25
0
444
Methionine
CSCC[C@H](N)C(O)=O
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
23518202.522468403
20402892.425418183
24451197.653039973
22585207.39189684
16833025.41566029
24686732.837127656
232.1162
1.25
1.25
0
492
4234908.580051168
1032594.611809892
3388021.276093373
5081795.884008964
1891674.0561430429
1699.27861011093
258.1487
2.1
2.1
0
82
24025325.647903804
30211482.382822607
10039417.063920548
38011234.231887065
13246010.263522016
50570048.92598331
412.1709
0.76
0.76
0
154
166008956.84965894
64876787.030317314
186886541.565681
145131372.13363686
118597439.79050615
412003.7180907037
207.0553
2.67
2.67
0
103
57621566.554645605
19416515.30545677
54792657.82440308
60450475.284888126
35592921.09142976
4828.362289182378
288.1957
3.11
3.11
0
3
42198335.520393945
61469914.973737456
22703776.46535408
61692894.57543382
19740991.047633488
111544623.6850622
427.2913
1.57
1.57
0
16
18413553.116775293
62453127.2941767
691313.6433822002
36135792.59016839
11275461.752379645
123866325.94433317
263.1418
0.97
0.97
0
16
Spectral Match to Pro-Phe from NIST14
C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
2267562.967462242
554525.280809768
3240286.983892085
1294838.9510324008
1016629.6814845746
0.0
290.1751
2.97
2.97
0
3
492209.4382152407
815566.3127817225
531872.2944322964
452546.5819981848
1167964.59619289
392688.3726883213
684.5624
7.11
7.11
0
42
2976115.844159548
5256596.671723762
2654047.63960222
3298184.0487168757
5475288.306503229
4994166.7099884
327.0081
3.62
3.62
0
312
6112824.433470746
6121400.117853872
6233241.629680059
5992407.237261433
3216254.422060659
9607574.952805724
391.1863
2.36
2.36
0
226
18374457.13488258
11592995.06005342
36135233.97140502
613680.2983601397
21247789.504659586
7241.726526023112
376.306
4.89
4.89
0
28
64237589.64219875
29808081.03264397
66861553.20362433
61613626.08077317
29012980.364409894
30762201.834524862
269.1386
3.68
3.68
0
78
2533354.0487926397
1064324.5265387865
4707618.28398015
359089.8136051292
1951261.6319877757
0.0
214.0472
1.99
1.99
0
62
75328634.93009536
273289269.2302483
12618556.143315628
138038713.7168751
56205069.26857928
533790309.184251
332.2179
1.44
1.44
0
210
Spectral Match to Thr-Val-Leu from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
InChI=1S/C15H29N3O5/c1-7(2)6-10(15(22)23)17-14(21)12(8(3)4)18-13(20)11(16)9(5)19/h7-12,19H,6,16H2,1-5H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10+,11+,12+/m1/s1
13210065.918966183
9953012.128081668
19477508.43064889
6942623.407283477
5910825.473423411
14803636.11367158
265.1108
0.56
0.56
0
416
3062972.9533732105
24073173.46575063
2432529.170510389
3693416.736236033
6220536.611553852
45496337.69078677
272.1714
0.26
0.26
0
17
Spectral Match to Pro-Arg from NIST14
nan
nan
31449111.00106804
27375688.144502558
62320932.48327663
577289.5188594525
50179012.41738648
11699.017041822695
508.3484
4.89
4.89
0
28
137497525.69331872
212309248.3202808
8285100.982065655
266709950.40457177
118324529.98514564
325090910.3224429
130.0499
0.29
0.29
0
119
26229783.74796925
38251938.22512371
7964916.526478268
44494650.96946023
13161098.80097554
68360945.53410152
362.1919
0.97
0.97
0
154
622190917.7556486
718799726.4594097
527929586.0034857
716452249.5078117
398817304.1210529
1102778633.265438
263.1389
1.33
1.33
0
16
Spectral Match to Pro-Phe from NIST14
nan
nan
1785372.8196003467
1017187.5650375634
3570745.639200693
0.0
1864843.8692355328
0.0
975.588
4.58
4.58
0
48
8531019.09889912
3334373.560934468
16979805.56716552
82232.63063272345
6113018.1950465245
0.0
729.439
6.05
6.05
0
48
69523622.62094794
186662899.56469032
7551765.73069038
131495479.51120552
34273617.85427715
369530037.6171862
389.2505
0.7
0.7
0
55
10003513.663056126
10931988.248207472
10086547.478974773
9920479.84713748
11895814.501740394
9775396.743967967
658.5106
5.66
5.66
0
42
2558912.694884481
775810.1075708336
4763627.745297976
354197.6444709852
1422318.5305465283
0.0
277.0471
3.18
3.18
0
297
8855985.650218653
70689104.8988443
0.0
17711971.300437305
2176467.784899645
152904269.43557793
635.397
1.25
1.25
0
166
10600909.353359994
10374882.479771256
9885100.208717354
11316718.498002635
12892815.86843778
7353362.413371423
178.1089
7.37
7.37
0
303
247469687.78808007
1211990237.8006115
88313921.68123415
406625453.8949259
251109931.01701903
2365046605.9409227
269.1605
0.31
0.31
0
120
Spectral Match to Leu-His from NIST14
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)N
InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1
9473701.301684834
2176186.182573847
12588174.20809617
6359228.395273498
3989674.6680520526
0.0
330.2067
3.68
3.68
0
3
9089890.86313171
215576509.37005693
2788096.9872818114
15391684.73898161
69834100.38680963
390467400.14995366
253.1521
1.0
1.0
0
24
6747623.550388471
41660356.75919655
291835.26115400315
13203411.83962294
10852791.691246348
78629434.8407368
231.16
0.81
0.81
0
162
Spectral Match to Leu-Val from NIST14
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
46137299.85996229
41857064.86931327
87394749.69613609
4879850.023788515
71529668.1969356
6249940.876166478
316.1618
0.33
0.33
0
185
5486435.480388861
3327574.496254081
7296481.981705832
3676388.9790718914
3374877.3655682164
3270811.0530771194
204.1233
0.62
0.62
0
359
1832373.6621154896
1083562.420849286
3664747.32423098
0.0
1986531.1048903577
0.0
715.4235
5.76
5.76
0
48
26880618.41529575
20240482.684063874
27395361.898469523
26365874.932121973
19808007.48256466
20759452.92586293
304.1755
3.31
3.31
0
78
5376191.722874948
3239881.115793544
5530595.615116617
5221787.83063328
3133526.535820252
3367506.6117614945
255.123
3.71
3.71
0
78
71157729.69056374
19754565.6673158
91625523.30845766
50689936.07266984
32785829.349405546
4117049.248808111
276.1596
3.67
3.67
0
133
46672374.26272183
44561513.697943866
47832134.73594656
45512613.78949712
45999093.97785583
42836417.36204951
144.9822
8.36
8.36
0
140
358872674.9700525
320442737.0843452
360912416.03901
356832933.90109503
274445764.3383479
375639104.37954193
254.1609
0.61
0.61
0
40
10989486.514597984
32115588.975829944
1655576.9059236932
20323396.123272277
10328060.808144642
58260622.7770523
354.1993
1.44
1.44
0
24
5128643.272892071
6792209.686088718
3703452.191611938
6553834.354172201
2570582.9838413685
11858161.728785535
370.2339
2.1
2.1
0
125
17692097.962018456
34533851.35527627
4198827.623005621
31185368.30103129
8760033.863411255
65462432.34551428
345.2577
1.65
1.65
0
476
1151496.624211793
20247550.667203523
0.0
2302993.248423586
2255108.1422558096
41838481.697140776
580.3369
0.94
0.94
0
77
31608134.26306762
83656963.92309827
9384557.441199074
53831711.08493617
11310092.007267363
170473210.22209534
336.1906
1.07
1.07
0
111
13743483.896372968
12470293.191892996
14077434.57622064
13409533.216525294
12560712.180895032
12361790.40509055
139.0179
8.41
8.41
0
343
9821044.25328878
12529566.871679803
6480995.6063202685
13161092.900257297
4943339.412846759
21633039.822279457
514.3236
1.45
1.45
0
429
35817600.57335262
22041087.032845087
70987387.18727832
647813.9594269105
40401516.20993579
8572.020336237196
387.3105
5.48
5.48
0
28
2321700.196702505
740124.2842777497
4364878.586351871
278521.8070531396
1356894.5211758744
0.0
449.948
2.8
2.8
0
328
5144211.476537754
4412807.623615853
5493146.032679959
4795276.920395548
4768829.00358988
3985581.9676470207
708.5108
8.05
8.05
0
188
6704492.398670609
2335685.137367556
13383953.01346893
25031.78387228165
4282089.418507186
0.0
389.2389
1.36
1.36
0
77
651896229.0525361
997258390.8738632
429024324.9319465
874768133.1731256
466895611.6958893
1633693725.887432
342.2386
1.55
1.55
0
111
Spectral Match to Ile-Pro-Ile from NIST14
nan
nan
4481464.896490978
6652429.180128077
3869135.773994172
5093794.018987785
9840719.44205627
2826480.8658142462
476.3068
1.53
1.53
0
42
6721990.042545889
7989676.3958414225
5894343.345455028
7549636.739636749
3874588.09779394
12927782.353498405
293.1496
1.92
1.92
0
56
32287022.6618377
61433509.71465215
5575222.4161076965
58998822.90756771
15399554.671906076
116674255.76594745
267.1331
0.64
0.64
0
16
Spectral Match to Phe-Thr from NIST14
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N)O
InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1
26200070.907753367
25039759.795436718
51968395.53093118
431746.2845755489
45904160.0685899
2479.467652879201
541.335
5.47
5.47
0
48
16253528.289542394
12939195.774092704
19693246.100305047
12813810.47877974
13904975.242654895
11780260.411818076
151.0978
8.28
8.28
0
157
823320.929702459
968900.8053761666
1636491.3105149136
10150.548890004811
1776318.1431896389
0.0
484.0995
2.63
2.63
0
189
11051990.021235792
11386876.090276062
11051680.129387423
11052299.913084157
6180018.265152982
17635105.48042376
357.2019
2.08
2.08
0
226
10009682.175896274
9617218.958826004
9814763.593308236
10204600.758484311
9603830.17693094
9633285.497100083
145.1699
8.41
8.41
0
369
18730482.59233997
18643646.95020699
10117648.746272055
27343316.43840789
12944103.6656953
25483098.891621023
251.1365
1.23
1.23
0
24
2745205.1384782526
3979410.446063578
1218628.91823662
4271781.358719886
836505.248463932
7750896.683183154
489.3652
1.84
1.84
0
16
Spectral Match to Leu-Leu from NIST14
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
47210584.05175397
330416926.8752871
24843786.452238128
69577381.65126981
37688324.139256336
681691250.1585242
294.181
0.61
0.61
0
14
4297761.35285153
1222437.2797119294
8293313.371830165
302209.3338728926
2241135.0128052034
0.0
329.0587
3.18
3.18
0
243
5872793.337669663
8225857.404432726
6211501.858431731
5534084.816907595
3816174.106968825
13517477.361389404
340.2228
1.45
1.45
0
73
329743887.2992696
32873423.57377746
11761521.005264798
647726253.5932745
59435396.68632665
999055.8387184276
354.2801
5.32
5.32
0
21
637659.0802751052
21635444.466955826
9361.198709078051
1265956.9618411325
1073117.007457487
46310237.41835383
407.2389
1.88
1.88
0
8
50715946.80214918
38254184.11020318
59532316.41736098
41899577.18693736
31419417.39389208
46455904.1697765
411.26
1.04
1.04
0
49
8494568.036515115
18003397.897330273
2112532.9405322806
14876603.13249795
4328815.29874026
34412897.01563828
476.283
0.57
0.57
0
69
7061585.300232531
9351861.701087106
2741183.7029739246
11381986.89749114
2624494.395741553
17424702.46750177
413.2756
1.36
1.36
0
111
1325462.2053548729
1614385.3994528097
1254953.0093154164
1395971.4013943293
711717.5983708375
2697586.760751176
347.1599
2.53
2.53
0
134
25370378.677531123
20577268.980421964
29454815.69693504
21285941.65812721
19306291.797709584
22102441.59967683
312.1914
0.69
0.69
0
111
Val-pro-pro
CC(C)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
"InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1"
8387994.931815912
2352780.824680031
1761102.964926418
15014886.898705406
2318224.7721383017
2394248.087730105
312.231
4.44
4.44
0
21
1955806.50574596
31226516.19314145
823890.9944474851
3087722.017044434
6135644.888845517
61335561.75829655
326.182
0.4
0.4
0
120
1294688.015868439
103619441.28879295
0.0
2589376.031736878
3346614.8932152777
223946832.9634861
201.147
0.81
0.81
0
214
Spectral Match to Leu-Leu-Arg from NIST14
nan
nan
9251118.744262062
9104628.92200899
9220529.897580331
9281707.590943797
5080701.095112573
13933342.314284688
301.2489
1.92
1.92
0
440
7383488.2985221185
1673394.695265893
5991129.364600566
8775847.23244367
2331495.3859223463
883673.8664781483
307.1396
2.02
2.02
0
295
71702087.84456539
57187897.49887728
80070921.32526349
63333254.36386728
64591570.61143792
48303489.76380448
171.1856
8.36
8.36
0
369
14303308.70850478
11812378.9053124
13868883.675478144
14737733.741531422
9668355.917316023
14385206.49090805
193.0971
0.81
0.81
0
81
4198804.033429111
3062261.379403643
8307898.039780279
89710.02707794344
5614145.862240012
0.0
531.3535
5.53
5.53
0
28
94907887.61285324
57010167.0411142
188415360.38008723
1400414.8456193062
104471909.7889454
56075.74371676464
682.4359
5.17
5.17
0
28
5006926.982728139
1322565.3647628694
9851634.106339904
162219.85911637277
2424703.1687319274
0.0
277.047
2.94
2.94
0
297
95694187.4578622
79576733.64435066
190912581.73786584
475793.1778585578
145890678.34797624
0.0
1031.6466
5.19
5.19
0
48
114521716.36313398
112490352.56694116
115636847.58361304
113406585.14265496
115709878.60304056
108626921.32362184
154.9903
8.55
8.55
0
140
"2,4-dihydroxybenzoic acid CollisionEnergy:102040"
O=C(O)c1ccc(O)cc1O
"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)"
29371602.08025481
20683280.561181266
58147415.65180632
595788.5087033157
37892622.31710875
32070.454068266423
387.3102
5.79
5.79
0
28
72701.38183684325
8046418.639585327
0.0
145402.7636736865
0.0
17702121.00708772
679.3791
2.09
2.09
0
102
10753805.460278926
14988744.685731512
3092546.1848321967
18415064.73572565
6319325.147052842
25392048.13214592
253.1293
0.25
0.25
0
120
Spectral Match to His-Pro from NIST14
nan
nan
26622662.503017616
40624865.29679786
22638470.58194596
30606854.424089257
12336180.154673057
74571287.46734764
247.1107
0.83
0.83
0
354
6560044.812343293
9207591.647744516
5150317.108500994
7969772.516185592
4898356.015017061
14378674.407017464
199.1231
2.95
2.95
0
204
50669698.91038039
24957046.43703845
53830098.78409708
47509299.03666368
45754585.1345705
0.0
479.1868
0.73
0.73
0
222
12288495.314448586
13695764.128168488
12243925.066206789
12333065.56269038
7489629.668134131
21143125.48020972
271.2017
1.82
1.82
0
116
3019686.150650528
3174852.511318637
3023151.9797114977
3016220.321589557
1863376.0749806408
4748624.234924233
259.1077
2.38
2.38
0
13
69025048.09824201
63669690.82302019
133948780.89128049
4101315.305203552
116655795.06615576
86365.7312575426
673.3769
4.88
4.88
0
48
Rha-C10-C10 Na+
23700443.74949791
2204572.882342288
1168915.071931051
46231972.42706478
4041716.95096086
0.0
286.2166
4.17
4.17
0
33
39184944.41517522
23927631.35597178
36986055.15367069
41383833.67667974
22809911.64642415
25268895.007428937
342.1656
0.42
0.42
0
16
76725307.14645211
71490686.08101605
74137776.91291384
79312837.37999035
48274438.439603336
99350183.25071128
247.1076
0.93
0.93
0
354
5815987.873063836
6143172.984547108
8369362.355751081
3262613.390376592
3231896.797508597
9636704.40899332
552.3759
2.29
2.29
0
111
17012131.349525284
29903113.83080928
231405.6044329236
33792857.09461765
3114735.119675338
62049168.28417001
502.3334
1.02
1.02
0
55
3191724.94875337
1856767.316933308
3429666.8758786027
2953783.021628136
1269433.95131706
2561567.3556728056
273.1483
4.46
4.46
0
141
13910100.15052228
10209872.558321008
16458584.079393484
11361616.221651075
14439773.278271344
5133991.694380598
222.8885
0.24
0.24
0
284
19056556.270625964
9116418.984816294
37895959.61703721
217152.92421472576
16713434.805496538
0.0
722.4673
5.78
5.78
0
28
65456987.6941058
9583326.027143504
88715148.78029603
42198826.60791556
17569431.049763095
0.0
515.2902
3.08
3.08
0
21
15472344.625860272
47356262.02191139
764145.0967791538
30180544.15494139
5087858.637044136
98078346.08375213
546.3498
1.24
1.24
0
16
49358221.002888165
19903472.3124521
68611009.27493508
30105432.73084124
36334756.38843971
185931.4212669736
172.0967
0.91
0.91
0
5
Massbank:RP020101 C4-homoserine lactone|N-Butyrylhomoserine lactone|N-(2-oxooxolan-3-yl)butanamide
CCCC(=O)NC1CCOC1=O
1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)
9858661.827604815
10711827.485451369
10480415.78847078
9236907.866738856
5616062.566121877
16826745.388646755
347.2333
3.61
3.61
0
116
10568740.78800628
9056482.910566531
13539558.957028344
7597922.618984219
9084501.567331212
9022860.522448914
195.1128
1.41
1.41
0
117
8703210.044159908
4109231.635544916
9758895.132499836
7647524.955819982
7533591.331832346
0.0
227.0814
1.03
1.03
0
171
5333895.114290697
2837498.1413046904
10258817.960114129
408972.2684672636
5202079.925725265
0.0
693.0915
2.94
2.94
0
41
9802627.023105908
19156623.979513373
10598275.378454251
9006978.667757567
6965753.109069561
33785669.02404594
394.1787
1.68
1.68
0
334
24768801.37130488
15923908.012784831
30097198.93827949
19440403.80433027
14881131.60253238
17175239.70508779
426.2019
1.63
1.63
0
334
Spectral Match to Tyr-Pro-Phe from NIST14
nan
nan
873168.5267469886
241557.26026001928
1744869.830318481
1467.223175496066
442854.9771433687
0.0
415.342
6.33
6.33
0
28
17481301.358291987
13692408.166493297
16800564.78283648
18162037.933747496
7334093.229083541
21322386.091385
461.3331
1.52
1.52
0
95
Spectral Match to Leu-Val from NIST14
nan
nan
31165509.449155435
16347859.856241368
62331018.89831087
0.0
29971076.40310917
0.0
678.7925
0.78
0.78
0
268
2078688.948683733
5735682.658390983
0.0
4157377.897367466
392877.8948317413
12147048.374662075
780.5239
1.68
1.68
0
111
10532994.19264665
12761508.460593294
10473439.739021571
10592548.64627173
6448433.277063853
20337198.680828623
305.1858
1.99
1.99
0
116
27616835.963297088
3104498.316417672
2163325.169765646
53070346.75682853
5691580.246765732
0.0
284.2009
4.08
4.08
0
21
3496904.3039375376
23057685.781441197
0.0
6993808.607875075
4811983.413612092
44952528.62283611
479.2529
0.49
0.49
0
181
2307671.9620919945
2115144.373206148
4594281.50811872
21062.416065267906
3877764.6842112713
0.0
477.3072
4.58
4.58
0
28
8876246.625651175
11051523.612752832
7656850.814754394
10095642.43654796
5375955.9310069
17862204.830847956
302.1496
1.22
1.22
0
533
1050080.713185724
422918.8155038311
2100161.426371448
0.0
775351.1617570239
0.0
707.4571
6.05
6.05
0
28
1074457.520291783
2523015.57120598
1140037.5799686688
1008877.4606148964
3301986.4100691588
1588250.5645701652
309.228
2.16
2.16
0
290
Spectral Match to Pentapropylene glycol from NIST14
CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)O
InChI=1S/C15H32O6/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16/h11-17H,6-10H2,1-5H3
18688811.53775489
17392251.43545025
18563248.66054015
18814374.414969623
11595102.2976359
24348830.40082746
313.1157
1.78
1.78
0
484
100900659.80620596
11126347.343075529
24859585.33459467
176941734.27781728
18707546.671672363
2028908.1487593253
286.1802
4.42
4.42
0
21
1224304097.736757
285992703.54282784
1287134519.6207523
1161473675.8527615
524317099.64031154
3428.2258473128977
519.322
3.3
3.3
0
21
3237489.0824912437
369749.538087702
6474978.164982487
0.0
677874.1531607868
0.0
275.0309
2.94
2.94
0
21
21873569.80693792
23021865.555453733
21937085.833369195
21810053.78050665
12649791.298505252
35468354.66379192
299.233
2.72
2.72
0
116
17756154.99063688
17211388.130175058
18045000.6098112
17467309.37146256
17595485.488807227
16750471.299816463
135.9454
8.94
8.94
0
145
4363145.758450122
15255949.385241175
27236.390481386115
8699055.126418857
1616053.3974648127
31623824.570572816
195.1295
0.37
0.37
0
214
9164669.319515722
6682430.286677208
9079678.528491974
9249660.110539472
5449969.951868833
8161382.6884472575
482.2244
0.88
0.88
0
295
34846936.01787661
23704916.630535766
68380201.51833895
1313670.517414254
43459013.822648905
0.0
693.7651
0.75
0.75
0
4
27281012.06244734
10221680.99551607
46954596.681610815
7607427.443283874
18715991.33833052
28508.584138731
203.0813
1.97
1.97
0
62
4030945.988183362
1499488.6212613091
5544693.846417657
2517198.1299490677
2118581.949137063
756576.6278104038
681.3222
1.84
1.84
0
217
54183390.87571141
9159802.252001824
13852911.002026642
94513870.74939616
16787598.024161216
6447.325410555444
258.1856
3.49
3.49
0
21
35595965.62648947
35691101.63395715
37185678.11520248
34006253.13777644
27722537.657528263
45253378.40567181
173.1073
1.3
1.3
0
21
522613.3018119469
615660.5676643293
590399.5919158133
454827.0117080806
333206.5412359709
954605.3993783592
299.233
3.22
3.22
0
116
29910954.277197957
132569502.04776122
1965558.1999801311
57856350.354415774
23485701.27345957
263470062.9769232
179.1284
0.4
0.4
0
381
Spectral Match to Pro-Ile-Lys from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]1CCCN1
InChI=1S/C17H32N4O4/c1-3-11(2)14(21-15(22)12-8-6-10-19-12)16(23)20-13(17(24)25)7-4-5-9-18/h11-14,19H,3-10,18H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-,14-/m0/s1
7511584.872237857
7433629.763465267
14969134.532362225
54035.21211348806
13628321.233019656
0.0
564.4107
5.47
5.47
0
1
4278239.023078204
1840720.8755089615
7966933.218156538
589544.8279998695
3374654.938433096
0.0
409.0193
3.18
3.18
0
12
5856321.270361858
2458809.740278792
6888694.245481583
4823948.295242135
2537998.826851315
2363782.836391764
462.3064
4.41
4.41
0
39
5265818.684522052
11256187.162492609
594379.9826265061
9937257.386417598
2663369.082346905
21567568.85866745
548.3081
1.25
1.25
0
166
2139755.13481137
597883.3173779626
1172664.345638801
3106845.9239839395
1093188.1669605598
3517.497878846433
241.0607
2.31
2.31
0
7
27034898.29525468
227481391.9364011
2468497.4470930905
51601299.14341628
23827090.62723092
471866553.5074054
359.2648
0.88
0.88
0
14
1530963.0737907265
1309415.9166183234
1622659.770559538
1439266.3770219143
879070.5771517977
1825830.3239781545
464.2392
2.68
2.68
0
50
91314518.21684976
26973576.30903158
101042872.13245717
81586164.30124237
49371226.83205747
96395.68140050788
246.1487
2.94
2.94
0
21
273853955.74983925
195700180.3140163
541355803.2170843
6352108.282594009
358371848.40278965
494178.6074883582
548.3799
5.53
5.53
0
28
123426112.66422844
165132322.84778395
21655364.889740743
225196860.43871608
52666987.97012618
300090724.7009732
283.1264
0.56
0.56
0
24
5350123.063609496
5820743.488379848
3439499.01621848
7260747.111000512
1704750.2657396563
10759935.355548078
364.2203
1.95
1.95
0
24
2618145.479100359
12333325.497538973
374824.3898346757
4861466.568366042
1456658.8559626965
25385325.467430502
372.1901
1.74
1.74
0
24
7541952.468038426
16840818.874120872
892139.9460157197
14191764.990061134
3730273.087415444
32573473.81816739
238.6449
0.56
0.56
0
421
10942151.29878126
10585954.57663972
11048815.327190882
10835487.27037164
11165658.804908046
9890309.50271773
281.8758
8.92
8.92
0
445
428483151.5229197
348082445.09263617
409554116.909756
447412186.1360836
319110287.7718078
382849033.8776304
195.1127
0.9
0.9
0
16
647951.1090210647
852812.9349529147
685068.1907235641
610834.0273185654
307991.3793267689
1506598.80170429
317.1498
2.89
2.89
0
228
1758054.600112622
17263751.52213294
8330.52199037338
3507778.67823487
587400.1543836248
37275373.163432114
204.1359
0.92
0.92
0
381
Spectral Match to Phe-Leu-Lys from NIST14
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI=1S/C21H34N4O4/c1-14(2)12-18(20(27)24-17(21(28)29)10-6-7-11-22)25-19(26)16(23)13-15-8-4-3-5-9-15/h3-5,8-9,14,16-18H,6-7,10-13,22-23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17-,18-/m0/s1
2435911.6164353257
19888240.81339367
13929.566803528049
4857893.666067123
603490.6654700184
43029940.99090205
437.2507
0.54
0.54
0
17
5239560.752677222
4065300.5839728713
7170845.780330931
3308275.72502351
5499045.4828737145
2344806.705291859
166.1088
7.85
7.85
0
114
15483981.501647348
13599697.01195599
16737862.608698685
14230100.394596012
14519156.76295306
12496345.31075951
136.9533
8.93
8.93
0
145
11933873.637330122
18020485.77835485
9448496.455754708
14419250.818905538
7485677.942537825
30662255.18133526
263.1413
1.6
1.6
0
352
Spectral Match to Met-Leu from NIST14
nan
nan
488359.17213973776
828710.385894731
527647.0620925996
449071.2821868759
1201091.7047742466
381852.8032393124
640.5364
7.12
7.12
0
42
11053356.20557663
11032832.85902058
11515600.78697396
10591111.624179298
7251822.934313364
15570044.768669242
287.1965
2.21
2.21
0
479
32433288.381394614
8705639.378229342
44381459.29843838
20485117.464350853
15915983.428837592
53226.51749944179
312.1959
4.18
4.18
0
388
1338495.3645495018
2600722.5505776573
905403.7650712812
1771586.9640277224
622062.3806918269
4975114.754440653
434.2402
2.41
2.41
0
17
102225660.6782424
10286896.938710485
10677548.792231606
193773772.5642532
18855915.576357186
4074.5735344450777
356.2949
5.76
5.76
0
21
6853864.809610132
5218440.927472432
7277405.281762696
6430324.337457568
4586033.344428039
5977330.027125703
320.171
0.81
0.81
0
105
5873630.711370549
6069016.298465251
5789360.608742346
5957900.81399875
3061689.7009325004
9677808.215504551
377.1708
2.12
2.12
0
226
4106364.5701698833
4298390.68961614
4094173.683839592
4118555.456500176
2393305.5853496627
6584492.814735912
301.1216
2.26
2.26
0
155
68975227.536721
67243845.70824902
67957927.70664118
69992527.36680083
41572380.05650651
98049604.49034004
353.1818
0.96
0.96
0
295
50925684.32292352
104518114.76733404
9325168.733800644
92526199.91204642
25418508.681365687
199437642.07049608
374.2284
1.59
1.59
0
403
15889859.836517686
16585408.357278569
17610079.09660859
14169640.57642679
8112241.742936536
26753208.294489004
344.1969
1.88
1.88
0
533
3735169636.832943
1245049986.881199
6981277668.01839
489061605.647497
2277935468.11846
5587409.396485431
325.0677
2.94
2.94
0
243
Pyochelin
CN1C(CSC1C2CSC(=N2)C3=CC=CC=C3O)C(=O)O
InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13?/m1/s1
13152049.666029269
99630584.17398158
3290863.096397588
23013236.235660955
27156566.364230227
186599405.54568323
251.1365
0.9
0.9
0
24
12801301.165405506
8177558.267765785
25374346.75791417
228255.57289684308
14992190.157570602
0.0
679.4267
5.48
5.48
0
28
70410263.85694584
98438758.85834862
17856559.871554557
122963967.84233712
34314646.41355826
175387693.79209703
382.1969
0.93
0.93
0
77
12667070.103243476
23933267.79696767
239986.4618581297
25094153.74462882
5296665.203027718
46297190.90969561
576.3388
1.06
1.06
0
111
28209589.634881467
22812145.17562116
27646650.34261113
28772528.927151795
17727952.755564336
28913176.07968933
320.1816
0.94
0.94
0
210
3706851.768506597
12423737.119652985
836479.5194033073
6577224.017609887
3333114.3638416324
23332484.426626604
166.0862
0.96
0.96
0
16
DL-PHENYLALANINE CollisionEnergy:102040
NC(Cc1ccccc1)C(=O)O
"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)"
1790347.7845499895
1343797.2089937327
3580695.569099979
0.0
2463628.21648851
0.0
331.2481
4.33
4.33
0
28
1147161.9256121423
323214.7131092354
2269244.1928384346
25079.65838585072
592560.3073669316
0.0
381.3186
6.83
6.83
0
15
31577480.36863489
16609393.29569515
44583791.40631408
18571169.33095569
15405363.370781625
18054229.205591384
279.1317
1.48
1.48
0
484
Spectral Match to Leu-Phe from NIST14
nan
nan
861173656.8848472
583678848.0397854
1692031132.0990045
30316181.67069037
1069427632.2566772
780306.9795152121
668.422
4.88
4.88
0
28
1287006.8768600572
269486.6258291831
475401.8846484192
2098611.8690716955
494058.81402016897
0.0
267.113
2.91
2.91
0
242
8720299.215579314
5540934.723914133
17276645.957237374
163952.4739212581
10158380.32717591
0.0
404.3371
5.48
5.48
0
28
13746645.473503686
13712432.434689974
13300681.861266514
14192609.085740857
13699775.146070791
13727621.181032993
248.9005
8.89
8.89
0
227
13440329.877269452
2101663.647848604
4161228.785493512
22719430.969045386
3853050.021055775
0.0
256.1695
3.44
3.44
0
21
7289396.003258157
6645435.8018696485
14467826.709293226
110965.29722308584
12183298.970094357
0.0
331.2483
4.58
4.58
0
28
14416742.655216947
2882982.36128464
11640417.30872281
17193068.00171109
5285467.662355172
0.0
316.2123
3.51
3.51
0
5
(3-oxododecanoyl)homoserine
O=C(O)C(NC(CC(CCCCCCCCC)=O)=O)CCO
InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)17-14(10-11-18)16(21)22/h14,18H,2-12H2,1H3,(H,17,20)(H,21,22)
68706115.98796026
88960164.82124473
46077239.79457562
91334992.18134493
53176384.07966856
131900701.71113612
364.2203
1.55
1.55
0
24
8110847.43488114
2468990.566073463
16081864.656737031
139830.21302524826
4526482.704468015
0.0
208.0419
2.67
2.67
0
112
"methyl 3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzo[b]furan-5-carboxylate CollisionEnergy:205060"
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)O2
"InChI=1S/C20H18O7/c1-23-16-8-11(9-17(24-2)19(16)25-3)7-15-18(21)13-10-12(20(22)26-4)5-6-14(13)27-15/h5-10H,1-4H3/b15-7+"
19387127.800363485
8213425.813989135
38357355.838723846
416899.762003123
15057947.325646749
0.0
578.4271
6.34
6.34
0
28
869396.0435046913
548985.3917834394
1123156.5597356816
615635.5272737007
339848.81442842464
799949.2846094572
332.2545
2.21
2.21
0
479
17850586.60791583
7422754.884077987
18298434.92002586
17402738.29580581
6965667.846223646
7971259.329503196
289.1647
3.37
3.37
0
78
11079980.589406423
10135266.654985445
11668372.80750144
10491588.371311411
11196857.61013837
8861357.508801932
330.9157
8.43
8.43
0
266
259923.37433299655
4079848.701829551
0.0
519846.7486659932
244134.0022338937
8682706.341344338
459.3073
0.8
0.8
0
16
6610712.493948683
5696628.427325665
7274727.170728468
5946697.8171689
6316668.798157317
4952579.982327685
141.1386
8.39
8.39
0
64
21707458.45854469
1974703.446439277
3937967.7464100886
39476949.17067929
3469019.3651040024
181524.3440416067
314.2116
4.55
4.55
0
21
664100.7760162362
950860.6447075044
695204.0554917967
632997.4965406758
375457.1792675764
1641344.8032354184
349.2123
2.41
2.41
0
116
5377531.161708793
5301653.469410697
5380239.615880858
5374822.707536728
3052427.2187849195
8000724.970161632
291.1452
1.95
1.95
0
295
6792535.3280363
1640467.7643900693
6936274.542159061
6648796.113913541
3006947.8763805977
691.6300014357432
159.0674
3.29
3.29
0
127
63317598.15447443
10822533.073268617
110617579.22166418
16017617.08728466
19809827.940982465
37779.23201199886
222.0222
2.59
2.59
0
21
5067673.044117706
4771194.912277191
4525662.841710189
5609683.246525223
2501330.571063679
7495032.121733405
457.2287
1.53
1.53
0
8
23088217.639524743
4866207.941031312
25873915.248032827
20302520.03101666
8921381.225224072
0.0
778.4793
3.29
3.29
0
21
19690348.453201637
41292504.40298308
425281.8226991759
38955415.08370408
17933909.179272678
69322818.67143555
152.0317
0.33
0.33
0
174
2541163.2197276675
1471767.2631770913
4506588.581443566
575737.8580117687
2307990.163752048
468299.7824871442
332.3313
4.7
4.7
0
32
12710243.351200163
13221913.119728483
12700656.017463883
12719830.684936447
7470092.560182191
20124097.79118404
305.1857
2.0
2.0
0
116
7425056.663316779
1991152.1617825544
14826903.194840498
23210.13179306203
3616065.76918196
41255.83290326698
489.4124
7.66
7.66
0
15
86197737.29973064
230962217.570508
7212096.597913102
165183378.00154817
79553667.56599163
412652477.5759276
120.0809
0.7
0.7
0
16
Spectral Match to [4-(Aminomethyl)phenyl]methanamine from NIST14
nan
nan
7569648.40991823
8200975.507389083
7362745.143465534
7776551.676370923
4557393.154535095
12573274.330813866
347.1601
1.59
1.59
0
52
7726375.169834026
7278494.001178924
6523218.014080673
8929532.325587379
3971071.754188798
11247400.697567075
274.1756
0.56
0.56
0
131
67497878.36194925
30990336.09035298
70380400.72592032
64615355.99797817
30754980.95530915
31272762.25240559
301.165
3.68
3.68
0
78
32168057.67816585
34174330.44750528
30288891.93890784
34047223.417423844
10067239.07973798
63102840.08882604
330.2387
1.4
1.4
0
20
83840417.68032038
65877714.39450875
166137536.49520805
1543298.86543269
120662263.80965751
136255.09633027212
555.3502
5.79
5.79
0
48
62954773.12605033
53228195.44683237
47070089.955161154
78839456.2969395
27803783.03529429
83737490.34067807
398.2031
0.44
0.44
0
108
3172921.935924808
3564902.68002757
3285681.1299239
3060162.7419257164
1635205.9439266713
5880538.763348649
363.2279
2.57
2.57
0
116
5502851.980808475
2941881.96971796
5761314.830918808
5244389.130698144
4514203.48080671
1055096.15641146
189.1133
0.72
0.72
0
65
Gly-Leu - 40.0 eV
CC(C)C[C@@H](C(=O)O)NC(=O)CN
InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
78879972.67733158
21714602.069023594
88168958.54409616
69590986.81056704
39744065.46268392
79245.99663121074
244.1333
2.65
2.65
0
21
3424150.281551473
1646091.2897961892
3623672.5165268034
3224628.046576141
1523219.6576772677
1793537.2483388954
357.1907
3.87
3.87
0
78
274356654.564984
778514145.8252454
83535852.37060918
465177456.7593588
226319256.7803017
1441148012.6791778
233.1494
0.75
0.75
0
87
Spectral Match to Thr-Leu from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1
2435060.0162342344
777038.3071009442
4728205.789692209
141914.24277625888
1424570.2296850644
0.0
172.0424
3.18
3.18
0
207
8337210.361099969
7874369.410882174
8651864.631468799
8022556.09073114
8084525.60653823
7622181.976094903
300.2897
4.27
4.27
0
281
635245117.4612228
757726948.8735247
106434802.96110272
1164055431.9613428
465439094.1670628
1108472374.5212789
182.0811
0.4
0.4
0
26
Tyrosine
N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
12784729.667731049
13438276.46650386
12918320.081100186
12651139.254361913
7744359.1396685615
20270977.258706223
291.1702
1.72
1.72
0
116
1078536.9385065015
918242.606546334
1023032.154443163
1134041.7225698407
569667.5633075333
1336532.6584328946
333.1923
2.84
2.84
0
295
76152108.48186766
76063414.44132112
72777662.69975938
79526554.26397593
51829208.76101557
105144461.25768778
233.1495
1.08
1.08
0
87
Spectral Match to Thr-Leu from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1
47224297.84400391
63333857.53712065
14029150.493711296
80419445.19429651
13495350.021700164
123140066.5556252
345.1444
0.98
0.98
0
16
Spectral Match to Tyr-Tyr from NIST14
nan
nan
17017561.76814616
13998374.556867206
17273486.694713097
16761636.84157922
14253170.31083902
13692619.652101029
144.1019
0.37
0.37
0
119
6023386.552042672
5604719.682174696
6436274.472950446
5610498.6311348975
3295719.835486593
8375519.498200419
360.1947
1.8
1.8
0
334
4706800.159426514
1361556.153164609
5942042.303399893
3471558.015453134
2496186.280801784
0.0
280.1303
3.08
3.08
0
582
251812998.00141203
216938712.3600815
230966728.99786687
272659267.0049572
140594800.44943765
308551406.65285414
226.1548
0.53
0.53
0
171
25122239.09262656
60435591.28487959
2190746.60497688
48053731.58027624
7474498.516053516
123988902.60747088
505.3026
1.81
1.81
0
16
65721085.72741134
79010441.43961515
58877899.237261415
72564272.21756127
38272276.778435625
127896239.03303058
399.2601
1.42
1.42
0
16
114000171.59358624
31437162.60144615
124199324.50775124
103801018.6794212
57548490.90676426
103568.63506443425
304.1907
3.31
3.31
0
3
4797099.099172311
75213637.97215605
57722.829892207366
9536475.368452417
3113638.37711232
161733637.48620853
191.626
1.27
1.27
0
269
1948937.531876194
1108312.112861734
2035747.4206500235
1862127.6431023648
629773.3982457962
1682558.5704008597
552.2784
2.02
2.02
0
24
1566676.3530555733
2556165.6991457487
1623487.6907609503
1509865.0153501965
933556.481254015
4503296.760615829
347.2333
2.99
2.99
0
116
7221660.39964389
4866802.963615052
14443320.799287776
0.0
8922472.099960929
0.0
305.645
0.84
0.84
0
530
2057142681.3008895
807348303.5413556
1964457039.276241
2149828323.325539
1480138556.4924853
0.0
211.0865
0.84
0.84
0
21
18947987.81751924
6632862.599835286
37895975.63503847
0.0
12160248.099698024
0.0
659.8138
0.72
0.72
0
245
203585183.2754719
174421854.09941757
153412463.19078675
253757903.3601569
97029232.49723166
267293000.02204075
360.2125
0.81
0.81
0
20
16369515.389843613
10129684.514386373
19202869.57051821
13536161.209169012
12235529.15831704
7602670.941669576
225.0659
8.92
8.92
0
7
46322527.54713721
44853427.28039693
48166399.09805588
44478655.99621856
28954810.7754121
63931767.08637872
311.1388
1.74
1.74
0
35
19730472.555781238
16103479.06554776
22379259.99761459
17081685.113947872
15753882.152235856
16522995.361522043
159.0916
1.14
1.14
0
21
3188564.299774503
6579218.958194414
846433.0797519246
5530695.519797082
1221179.4972188184
13008866.311365131
400.2554
2.26
2.26
0
17
23158238.49412748
25353474.516209237
21368494.750261422
24947982.237993527
26662830.810177326
23782246.96344752
570.4582
5.68
5.68
0
42
4-aminobutanoic acid_dodecanoic acid
CCCCCCCCCCCC(=O)NCCCC(=O)O
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-12-15(18)17-14-11-13-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
7477830.501820526
7271892.147217396
9339826.159581313
5615834.84405974
8730918.872615092
5521060.076740162
460.2938
5.78
5.78
0
42
10510422.592238309
11017306.199510232
8398135.645750944
12622709.538725674
5838906.919228386
17231385.335848454
513.2683
1.46
1.46
0
24
38626162.90964075
59554239.38114488
12911651.253070608
64340674.56621089
20462671.47149824
106464120.87272084
344.1812
0.85
0.85
0
85
3976607.9280183255
100041900.64169294
396551.9516957848
7556663.904340866
10798789.37849394
207133634.1575317
186.1237
0.33
0.33
0
17
1761764.8113980156
587624.6797358022
3522650.0719445646
879.550851467268
1077311.9128489706
0.0
750.5002
6.22
6.22
0
28
1714748.7222691737
6767440.620299715
0.0
3429497.4445383474
257161.92891950585
14579775.049955968
457.2189
1.56
1.56
0
8
16271992.316299615
19873013.92551845
5465644.790669072
27078339.84193016
9901069.730342776
31839346.95972926
203.139
1.04
1.04
0
65
1763395124.6933308
527412263.374898
2503432879.721152
1023357369.6655087
963461351.5540352
4153357.559933686
286.1804
3.74
3.74
0
21
396289641.9555536
258020748.07275295
784970665.7693952
7608618.14171199
472542614.08470863
594508.8584061915
696.4531
5.48
5.48
0
28
110800366.16729625
111983155.4919438
97973035.62863374
123627696.70595875
71717967.1760249
160301381.4710465
339.1661
0.73
0.73
0
295
14696905.812612556
4783950.493985997
13356741.136870896
16037070.488354214
6457834.837807559
2775289.281400121
755.3927
1.69
1.69
0
396
30366919.94514169
21246025.23726891
32787580.69385397
27946259.196429417
20126847.30431164
22589038.756817628
258.1446
0.27
0.27
0
253
24342138.74316816
23992765.677432235
24601983.950726885
24082293.535609424
24705153.75136252
23137899.98871589
180.9899
8.53
8.53
0
422
14226805.112798586
10832677.123271504
16202408.529255131
12251201.696342042
5855617.627444316
16805148.518264126
300.1912
1.09
1.09
0
562
1403561.2818941846
21900319.592311192
696869.0075228474
2110253.5562655223
608133.9943062279
47450942.30991715
331.2336
0.38
0.38
0
14
0.0
30259969.73791679
0.0
0.0
0.0
66571933.423416935
652.4022
1.51
1.51
0
59
val-leu-pro-val-pro
N1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1
InChI=1S/C31H53N7O8/c1-16(2)15-20(35-28(42)24(33)17(3)4)29(43)37-13-7-10-22(37)27(41)36-25(18(5)6)30(44)38-14-8-9-21(38)26(40)34-19(31(45)46)11-12-23(32)39/h16-22,24-25H,7-15,33H2,1-6H3,(H2,32,39)(H,34,40)(H,35,42)(H,36,41)(H,45,46)/t19-,20-,21?,22-,24-,25-/m0/s1
12777056.149387175
2218343.132926769
14237476.474371083
11316635.824403264
4066962.410365743
0.0
501.3113
3.13
3.13
0
151
35600227.995470546
37991767.256877095
66581959.11686287
4618496.87407823
69563647.68344258
105510.744998516
550.3941
5.19
5.19
0
1
150465672.04824647
1330085764.3717346
35864744.797098346
265066599.2993946
348238461.2543181
2508302528.1126337
245.1858
1.14
1.14
0
16
Spectral Match to Ile-Leu from NIST14
nan
nan
26232534.105526805
1837808.9297600747
4750527.626860729
47714540.58419288
3021238.442665064
417693.5142740879
258.1491
3.67
3.67
0
21
4210302.389153679
5508732.128819033
8364391.961498023
56212.81680933502
10099342.236168228
0.0
513.304
4.9
4.9
0
48
17097594.35413276
7778017.841373338
22423672.351037238
11771516.35722828
11675338.721043233
3101232.7857694686
310.1669
1.34
1.34
0
165
3621197.6450485457
852308.4031567777
6508546.356323759
733848.9337733324
1562565.4057874258
0.0
196.0428
2.13
2.13
0
193
10990037.471445285
2672624.0795613746
15047562.071175251
6932512.871715318
4899810.812529187
0.0
274.1436
2.7
2.7
0
194
10736402.26607078
9814808.57205288
20484819.7622208
987984.7699207548
17992722.220917713
1312.193415079835
689.3451
4.89
4.89
0
365
17562457.510000065
18750922.525965743
17131046.878555782
17993868.14144435
19575298.840347443
17761670.948707707
614.4843
5.67
5.67
0
42
L-lysine_(E) -dec-2-enoyl chloride
CCCCCCC/C=C/C(=O)NCCCC[C@H](N)C(=O)O
InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-13-10-9-11-14(17)16(20)21/h8,12,14H,2-7,9-11,13,17H2,1H3,(H,18,19)(H,20,21)/b12-8+/t14-/m0/s1
16846937.374995295
18629480.126834348
15356941.997279337
18336932.752711248
18936690.7230653
18260827.41135721
512.4164
5.35
5.35
0
42
292433023.9105301
236571636.17710048
298621757.6363355
286244290.18472457
185346094.37610036
298042286.3383006
242.186
0.8
0.8
0
171
242
14273175.68575426
13710759.723693475
14629978.928129593
13916372.443378923
13931254.708450772
13446165.74198472
680.4797
8.05
8.05
0
188
terguride
CCN(CC)C(=O)NC1CC2c3c4c(c[nH]c4ccc3)CC2N(C)C1
"InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1"
1250085.0069069094
786953.6984869264
1385752.2298782875
1114417.7839355315
524765.354892542
1101579.7108001877
241.1223
4.46
4.46
0
141
21471001.82593185
22387199.655261155
17743864.29977561
25198139.352088094
17766989.823551174
27931451.453313123
285.1207
1.33
1.33
0
24
136009233.97664985
115546571.57919496
142900614.87460402
129117853.07869564
86270792.59437244
150677506.360982
461.2732
1.71
1.71
0
24
4452261.753912224
438911.2553986032
842116.9250621771
8062406.582762271
804670.6348974392
0.0
268.1697
3.63
3.63
0
21
4132325852.8311057
1147203909.9468665
4301305358.620201
3963346347.0420113
2098457436.698137
5699677.845341039
260.1646
3.29
3.29
0
21
HQNO
CCCCCCCc1cc(=O)c2ccccc2n1O
InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3
11102747.984382655
3534780.132681476
20765350.70098294
1440145.267782375
6479806.754633424
748.1863391378818
146.0264
2.94
2.94
0
88
11036964.981987236
9678324.391600791
11884717.44160322
10189212.52237125
3028876.231535623
17657662.183678992
877.5754
1.69
1.69
0
111
2979283.290152796
5784151.226544163
3284437.4267133246
2674129.1535922675
9538108.74345
1279402.206257161
344.2288
1.22
1.22
0
42
14845250.148924893
12685410.25909242
15681838.379942106
14008661.917907683
13598603.39892487
11589578.49129348
169.17
8.37
8.37
0
64
5517116.925993136
2215958.825836437
6148251.386419904
4885982.46556637
2075768.7397744968
2384186.9291107645
434.2751
4.41
4.41
0
78
152184011.63947812
428067818.5167167
89735923.71608478
214632099.56287143
115349112.16168244
803330266.1427578
261.1442
0.8
0.8
0
87
Massbank:PR311045 Glutamylleucine
O=C(O)C(N)CCC(=O)NC(C(=O)O)CC(C)C
1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)
186165051.58317813
8777930160.552225
36250561.20075653
336079541.9655997
1400153968.7774518
17631261590.681953
231.1702
0.91
0.91
0
16
Spectral Match to Val-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N
InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
1670525.2064963796
27278470.516793422
22592.0648016834
3318458.3481910755
4403515.833888079
54728416.13627984
473.3332
1.22
1.22
0
16
2990204.3522155643
68219271.28482047
1408101.9251375636
4572306.779293565
12543670.642392503
135029992.05573404
301.1527
1.54
1.54
0
24
5450554.678241847
3374612.457198419
5429697.694120788
5471411.662362908
3112586.750302467
3689043.3054735633
332.2068
3.96
3.96
0
78
1299663.1392871323
343876.728689689
2595208.6263383534
4117.65223591158
630440.6692644298
0.0
363.2198
4.95
4.95
0
298
51033470.08925644
146387999.7380555
11046563.022779832
91020377.15573306
25907211.25301477
290964945.9201044
310.1758
0.35
0.35
0
14
22260946.19297556
2852582.070364036
3355447.271340348
41166445.11461078
5229733.795667399
0.0
187.1229
0.93
0.93
0
21
3092208.936203679
7238131.444352732
2730487.6962410063
3453930.1761663514
10875762.71492391
2872973.919667318
432.2803
1.44
1.44
0
42
28073486.102347706
13602023.404649658
29156367.148328006
26990605.05636741
24937042.908524368
0.0
200.1072
1.82
1.82
0
126
C6-HSL
277984075.993622
308992145.6269229
76664707.71792264
479303444.2693214
129872966.60342516
523935160.4551202
215.1389
0.91
0.91
0
16
Spectral Match to Pro-Val from NIST14
CC(C)C(C(=O)O)NC(=O)C1CCCN1
InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
6934243.639365896
175835220.73037365
3140787.389097168
10727699.889634624
46505433.15213674
331030965.8242579
205.1181
0.39
0.39
0
87
Spectral Match to Ser-Val from NIST14
nan
nan
7218137.74546139
6220393.974977515
4058131.7753832806
10378143.715539504
1799601.9351921082
11525344.422720002
580.3108
1.88
1.88
0
102
17726820.018245146
22765637.42071836
9099548.12846483
26354091.908025462
12581808.864526631
34986231.688148424
332.2179
0.95
0.95
0
208
1097510.4548966845
1373448.207007466
2107893.7297468204
87127.18004654878
2500940.572749398
20457.368117147787
531.4093
7.47
7.47
0
298
Spectral Match to Didodecyl 3,3'-thiodipropionate oxide from NIST14
nan
nan
16192708.857868109
16662523.90885548
16075338.997670049
16310078.718066173
16956595.102733184
16309638.47620223
138.9954
8.46
8.46
0
343
28807155.43386988
38905196.08571144
15499360.767120823
42114950.100618936
14098215.344087915
68673572.97565965
272.1601
0.7
0.7
0
203
4455960.478531799
3488670.9463079707
8907530.013783587
4390.943280009819
6395896.734897946
0.0
645.3463
4.32
4.32
0
48
17075635.287716784
39125561.03791636
16533704.50916539
17617566.06626818
11975438.790369086
71705707.73497309
485.2609
1.32
1.32
0
87
2922322.448413454
4541756.446726232
2348197.2446390837
3496447.6521878256
4938361.496579978
4065830.3869017353
161.0822
7.19
7.19
0
157
M50367
CCOC(=O)CC(O)c1c2nc(CCc3ccccc3)[nH]c2ccc1
"InChI=1S/C20H22N2O3/c1-2-25-19(24)13-17(23)15-9-6-10-16-20(15)22-18(21-16)12-11-14-7-4-3-5-8-14/h3-10,17,23H,2,11-13H2,1H3,(H,21,22)/t17-/m1/s1"
9841424.294703389
8537333.366356252
10621562.00888384
9061286.580522938
2952652.345959171
15238950.59083275
899.5572
1.69
1.69
0
24
5742312.522849993
104494589.21352404
301751.9765431995
11182873.069156786
3605678.4012100473
225561282.1883008
401.2869
1.3
1.3
0
55
4282501.491774459
2612051.72424502
5772538.508402643
2792464.4751462755
4113074.7433292815
810824.1013439074
290.8758
0.24
0.24
0
284
67113761.10717589
66599303.54457369
59580606.57232759
74646915.64202416
34965675.455057554
104559657.25199306
328.223
1.63
1.63
0
111
4073558.185703162
45253742.06433918
2261413.437736012
5885702.933670313
8731909.058224242
89079941.67167711
276.1553
0.66
0.66
0
210
38826292.31175063
30813874.400541928
47565041.67002654
30087542.9534747
34335261.38333675
26588210.02118814
267.077
0.71
0.71
0
228
10662.049010819244
1514391.4130412482
15656.34384144502
5667.754180193467
2773637.995735302
3295.513808383724
359.2034
2.71
2.71
0
36
17764733.76009325
17535364.57092651
17780354.539943974
17749112.98024252
10070947.26913883
26492665.33307172
343.1866
1.81
1.81
0
226
4426508.962676768
4537735.09343779
4197003.923986316
4656014.001367223
2474371.336954498
7013771.601217737
421.2419
1.72
1.72
0
24
32663454.19519672
30606442.770282213
32853874.47084585
32473033.919547588
21155896.38511667
41947098.432480864
281.1495
1.18
1.18
0
16
Spectral Match to Tyr-Val from NIST14
nan
nan
620448822.1628476
605278408.249852
594307178.7450132
646590465.5806819
434366963.7952364
810372141.5953904
251.1501
0.64
0.64
0
100
Spectral Match to Leu-His from NIST14
nan
nan
170280317.4520898
335392452.6687591
22973198.69190191
317587436.21227765
68887983.12249307
655197816.1242783
286.1757
0.73
0.73
0
111
2875045.516546031
3270997.3876982955
2794867.278601216
2955223.7544908463
1811356.519029796
5022566.430100494
343.2229
3.37
3.37
0
56
34333559.68357323
26705675.61257087
35457425.71089571
33209693.65625075
19827944.82269317
34958952.56042412
348.1762
0.43
0.43
0
77
4170991.775798385
4309443.360806039
4303647.042904832
4038336.5086919367
2272309.984523354
6754003.41234526
388.2073
1.98
1.98
0
50
5632735.59429333
6052922.597686977
5578136.672096857
5687334.516489804
3365713.704108914
9277573.269980652
313.1756
2.38
2.38
0
134
3497476.3914078395
40239730.805064864
3597893.6533534266
3397059.129462252
2265521.257744683
85808782.26184908
218.1388
0.88
0.88
0
214
4661692.346054125
4448806.455052844
4888074.236196258
4435310.455911991
4454996.493786142
4441378.408572885
394.3527
8.33
8.33
0
42
7729262.6764662
2014275.7878684625
15455971.512408031
2553.840524367487
3692838.944425514
0.0
543.4595
8.04
8.04
0
15
277885.35409695294
26485118.93307036
131791.55940819555
423979.14878571033
3435986.8577011744
54144077.42351339
251.1043
0.36
0.36
0
352
8503512.989475967
7230452.470915989
9597183.783985958
7409842.194965976
6550861.826508905
8045961.244204493
317.1472
1.38
1.38
0
441
162603074.90843886
219065717.7070603
153822210.81133842
171383939.00553927
111135822.90777165
348581591.4662067
243.1338
1.33
1.33
0
87
3388042.306352051
15962682.98474799
0.0
6776084.612704102
825084.0052194827
34127801.760182194
557.2601
0.65
0.65
0
16
14413119.905781897
23886715.6118182
7828523.823493846
20997715.988069948
6196310.922337531
45115201.239195
320.16
1.26
1.26
0
203
29334688.214678656
28812822.03354516
29398818.232498992
29270558.196858328
29996962.43228289
27391853.55505986
526.4318
5.69
5.69
0
42
2369331.0339983213
205535310.06687173
2366928.5284542874
2371733.539542354
74913869.38724218
362281038.8824271
175.1189
0.26
0.26
0
104
Spectral Match to L-Arginine from NIST14
C(C[C@@H](C(=O)O)N)CN=C(N)N
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
7266201.343688735
34323055.594118446
5985681.931263837
8546720.756113632
10094686.594866931
63397098.39322027
175.1076
0.38
0.38
0
214
3831648.056824198
10911524.726505816
223735.1878576808
7439560.925790716
2597737.904295547
20888068.913158137
261.1808
1.07
1.07
0
68
2830733.590634202
1686073.7548745484
2513513.165429977
3147954.0158384275
1569573.1479775447
1825874.4831509532
181.1226
3.68
3.68
0
78
40428430.44380339
10437266.76118016
62940218.33483344
17916642.55277335
19134989.062163625
0.0
300.1959
3.99
3.99
0
21
26281205.614276435
21860195.54990517
21868908.829969008
30693502.398583863
14235376.348766625
31009978.59127143
301.1296
0.52
0.52
0
100
17763534.278580856
19207158.343696117
19472505.233693957
16054563.323467756
10431928.4767048
29737434.18408569
333.2173
2.18
2.18
0
16
1536335.459339592
472157.1015394247
1057323.9150685323
2015347.003610652
770414.0634874394
114248.74720180688
208.1333
2.22
2.22
0
112
119566693.80757809
110772903.88210374
104661628.78288122
134471758.83227494
68645852.65341723
161325365.3565276
292.1652
0.53
0.53
0
171
28828776.752457183
11347811.59902616
57657553.50491435
0.0
20804321.26488129
0.0
652.7968
0.79
0.79
0
380
20039190.21389029
22486784.04294317
21263408.574555404
18814971.853225183
13464366.902743198
33313684.611183137
316.1863
1.08
1.08
0
562
921759.3536352952
1196919.3261293124
904736.261738531
938782.4455320592
516208.1496553545
2013772.7378980613
341.1496
2.44
2.44
0
65
5617136.781954058
5789552.332552447
5587114.688688776
5647158.87521934
3161809.114577625
8942844.194122234
319.2018
1.86
1.86
0
16
4388249.492395674
3197744.714794685
5552516.6908591045
3223982.293932244
3659923.30447875
2643130.4071738077
239.1365
1.2
1.2
0
24
10345407.402475672
8828004.990159526
13377660.653196154
7313154.151755188
8953595.309661463
8677296.606757205
195.1128
1.41
1.41
0
117
21451688.95169245
27886855.533205032
10744823.384150395
32158554.51923451
9061807.3205441
50476913.38839815
424.2076
1.04
1.04
0
265
442836363.1012888
487555005.25674665
69170636.38467579
816502089.8179016
276849886.80676144
740401147.396729
261.1443
0.56
0.56
0
16
Spectral Match to Ile-Glu from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1
11732220.12871507
2077439.3997719693
5890114.92523485
17574325.332195293
3721339.884468091
104758.81813662392
385.1763
2.42
2.42
0
34
478567520.6643605
457764745.44350713
467934520.8705341
489200520.4581868
347203968.0052826
590437678.3693765
211.144
1.52
1.52
0
35
Massbank:PR311142 Cyclo(leucylprolyl)
O=C1NC(C(=O)N2CCCC12)CC(C)C
1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
3925946.770645563
2590169.6288957875
7797903.479458686
53990.061832441184
4748644.3196422765
0.0
404.3368
5.79
5.79
0
28
761707.8473447451
837088.0916580819
729702.9078590028
793712.7868304872
984022.9804831496
660766.2250680004
600.4684
5.44
5.44
0
42
Polidocanol
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
"InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3"
10968147.019940132
76521084.26229954
2046180.3962282971
19890113.64365197
14225986.120799214
151275202.03209996
304.1872
0.76
0.76
0
77
4797296.463013015
4209484.955529804
4276603.1853702655
5317989.740655762
3472359.33214625
5094035.70359007
249.1345
0.68
0.68
0
16
Spectral Match to Val-Met from NIST14
CC(C)C(C(=O)NC(CCSC)C(=O)O)N
InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
6333510.96269529
7239039.33924385
6632406.822086929
6034615.103303651
4867436.495255054
10084962.752030406
286.1874
0.57
0.57
0
111
8065482.365383781
8125383.618148341
8059749.054974097
8071215.675793465
4590877.963751923
12366790.40342404
305.1498
1.9
1.9
0
155
4704570.08162709
4755466.201758498
4673018.921475931
4736121.241778251
4957261.901831521
4513311.361670873
284.3313
4.73
4.73
0
230
26760232.278497025
5526412.872707058
14366611.160313828
39153853.39668023
10131756.933296273
0.0
230.1539
2.76
2.76
0
21
3109164.344568681
214030406.39523304
91080.60516993135
6127248.083967431
29282748.71335449
435727595.6134872
461.3329
0.98
0.98
0
95
1589129789.063579
4072569313.095085
151989292.77876183
3026270285.348397
1524032789.244566
7130813141.715708
166.0862
0.7
0.7
0
16
Phenylalanine
N[C@@H](Cc1ccccc1)C(O)=O
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
14597713.212296829
44828831.924432896
881165.3266686081
28314261.09792504
9918401.861443777
86721348.00001983
320.1816
0.71
0.71
0
210
25397907.760576483
22401597.16927086
25302526.63949193
25493288.881661028
18134583.353591964
27522013.74808552
224.1392
0.34
0.34
0
372
953222.7022876976
33932491.977967456
1189857.172189667
716588.2323857285
464619.1224403496
74093939.40459998
295.186
1.18
1.18
0
16
Spectral Match to Tyr-Ile from NIST14
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI=1S/C15H22N2O4/c1-3-9(2)13(15(20)21)17-14(19)12(16)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)/t9-,12-,13-/m0/s1
3743140.057900972
12782927.37851847
0.0
7486280.115801944
1163041.7876177172
26726790.08759937
389.2503
0.37
0.37
0
17
6959453.709657033
5694895.409549877
7725565.813557916
6193341.605756152
6453199.128931482
4784930.946291951
167.1292
7.53
7.53
0
157
6655437.971525627
27845056.866601214
1939411.8709458653
11371464.072105393
4203574.97432782
56214835.137329295
358.27
1.83
1.83
0
70
119133290.68153337
120794195.07694334
115503227.1596568
122763354.20340993
86955001.63792853
161401227.20376104
320.1714
0.58
0.58
0
40
3931724.2395923752
965283.4622030482
3401210.867299408
4462237.611885345
1316703.8300229318
543579.0208191879
321.1559
2.35
2.35
0
295
6682947.977518245
34622725.76833574
1813762.203127472
11552133.751909018
9401615.473006232
64888058.12273115
255.1316
0.45
0.45
0
24
2238610.302834061
7889825.71783759
0.0
4477220.605668123
152262.1463791163
17174902.00358776
780.3888
1.98
1.98
0
217
4877923.828116283
1258444.975542681
9750398.120443562
5449.535789003883
2307149.1218282487
0.0
433.2295
0.97
0.97
0
24
56251263.52079973
55233738.19780968
57266057.16663691
55236469.87496259
58545634.86226928
51259462.20045816
328.9154
8.56
8.56
0
227
15576613.969138354
2525328.769088977
31153227.938276708
0.0
4629769.409996458
0.0
1334.5964
0.78
0.78
0
323
26768724.533503637
54244730.89626148
20122417.97706248
33415031.089944784
17806307.329333577
97970839.17657492
342.2036
1.63
1.63
0
344
39370754.68311862
46373695.405079655
25004275.65227736
53737233.713959865
28353589.67539413
67997822.28070226
130.0863
0.26
0.26
0
119
135223429.226134
111917864.30327684
135695765.8267671
134751092.62550098
108592982.8126562
115907722.0920216
265.1114
0.26
0.26
0
416
521970005.5625525
542710096.0588286
492617313.5298421
551322697.5952629
332763804.6381514
794645645.7636414
231.1702
1.52
1.52
0
16
Spectral Match to Val-Ile from NIST14
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N
InChI=1S/C11H22N2O3/c1-5-7(4)9(11(15)16)13-10(14)8(12)6(2)3/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1
119707430.17702644
181862123.02980056
74945368.5515476
164469491.80250528
76119969.36770807
308752707.4243115
243.1337
0.84
0.84
0
87
Spectral Match to PyroGlu-Ile from NIST14
O=C(N[C@H](C(O)=O)[C@@H](C)CC)[C@H]1NC(CC1)=O
InChI=1S/C11H18N2O4/c1-3-6(2)9(11(16)17)13-10(15)7-4-5-8(14)12-7/h6-7,9H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,7-,9-/m0/s1
827076.7040593148
8957743.996941665
329466.7834537301
1324686.6246648992
416078.1006053516
19207743.07254524
434.2044
1.96
1.96
0
24
8522651.604263114
9479044.989580616
8091999.811013923
8953303.397512304
10071721.41935338
8767833.2738533
600.469
5.34
5.34
0
42
6403457.934853703
7114653.130995634
5219000.934006383
7587914.935701021
7270048.61772156
6928178.546924526
564.3588
1.69
1.69
0
42
47402744.9299969
76302534.27309372
8098666.411672707
86706823.44832109
21011200.500040267
142652134.80075788
332.2179
1.26
1.26
0
208
102993624.8312652
111650163.82860492
70851733.28691213
135135516.37561825
52101872.5604903
183108113.35034245
358.1967
0.75
0.75
0
111
430484028.1319673
536802547.62805575
367267552.6769379
493700503.58699673
271245160.57185787
855471412.0954931
360.1921
1.39
1.39
0
334
1766247536.905802
1403351211.935819
3438660845.2073827
93834228.60422084
2570580400.155565
2676186.0721232165
522.3633
5.19
5.19
0
28
871777.6027290105
794028.3333127721
1033338.9573175756
710216.2481404458
899863.1139110973
667026.596594782
666.6398
6.85
6.85
0
91
11292305.936702626
7412263.834010538
14457036.266509188
8127575.606896065
7535700.467943358
7264139.873291152
481.2417
1.66
1.66
0
102
16589236.893580455
2722534.4159946498
14052034.136825906
19126439.650335003
4991313.095990191
0.0
463.2594
2.59
2.59
0
21
24049305.150093656
151001248.1336732
1957237.997226413
46141372.302960895
22970036.252330463
304638702.39128447
266.1584
1.13
1.13
0
466
29619287.715785265
964240239.5528362
23345260.882065456
35893314.54950508
201647001.3955864
1879352125.3415363
217.1545
0.65
0.65
0
16
Spectral Match to Val-Val from NIST14
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
20648242.85576697
3294767.3506774306
31336780.272725552
9959705.438808396
6040406.8095752895
0.0
627.4152
4.24
4.24
0
21
2871696.190200145
2545593.376944756
3396896.3199046515
2346496.0604956388
2695916.760255828
2365205.3169714687
638.6087
6.71
6.71
0
91
15070766.712320233
8999098.418310555
12776404.35816338
17365129.066477083
8176563.629326164
9986140.165091826
370.1581
0.43
0.43
0
186
2189973.628639313
40875877.68892216
291484.66702991247
4088462.590248713
4634587.810635134
84365425.54286659
373.2807
1.12
1.12
0
14
7726487.128333426
1931246.221498292
7036741.712623441
8416232.54404341
3540618.072746868
0.0
232.0967
1.53
1.53
0
93
NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoate
COC(=O)C(NC(=O)C(O)C(C)C)C(C)C
InChI=1S/C11H21NO4/c1-6(2)8(11(15)16-5)12-10(14)9(13)7(3)4/h6-9,13H,1-5H3,(H,12,14)
26998149.17194928
12502938.821230076
27936852.757439245
26059445.58645932
12133536.39885394
12946221.72808143
241.1436
3.68
3.68
0
78
12337577.22156853
4859247.04893051
19244112.711420435
5431041.731716624
8843035.643701008
78700.73520591289
207.0552
2.29
2.29
0
103
350055570.69131595
133395775.90620874
543699921.3980254
156411219.98460642
244331175.59849405
273296.2754663619
224.0818
2.29
2.29
0
7
2384204.6984906457
558069.2111935198
1864740.8299163133
2903668.567064978
1023126.8871881196
0.0
547.3537
3.96
3.96
0
76
4220485.485565174
4193542.728444783
4186605.3095297846
4254365.661600563
2617467.629877348
6084832.846725705
313.1752
1.55
1.55
0
52
103917527.83058436
224527866.24185303
12330844.391577192
195504211.26959157
59935819.20227895
422038322.689342
350.1739
0.94
0.94
0
77
7203705.729071484
7845783.656854504
7416637.823016773
6990773.635126197
4274361.540637952
12131490.196314365
335.1596
1.28
1.28
0
190
13015414.66230067
2816369.4251656947
8667835.807564413
17362993.517036926
5162603.796524968
888.1795345663774
302.1751
2.94
2.94
0
433
41248953.42112856
102111060.9940754
2009543.815414945
80488363.02684216
10990336.031563686
211455930.9490894
345.1448
0.86
0.86
0
16
Spectral Match to Tyr-Tyr from NIST14
nan
nan
13277830.68731819
12323726.50753411
14468665.151196657
12086996.223439723
13041387.757112144
11462533.008040477
408.3683
6.04
6.04
0
42
53428005.466513455
33487818.88557281
106722686.99684411
133323.93618277094
61394334.62355015
0.0
1026.6903
5.19
5.19
0
28
9507982.668501368
3747882.199226551
10217613.370524157
8798351.96647858
3224175.653391306
4376330.054228844
423.199
4.14
4.14
0
180
14541843.996078396
17972925.93489506
3032649.021641119
26051038.970515672
9415622.847235708
28241689.640086293
248.1322
0.35
0.35
0
93
522846.6420509089
6902681.805789628
37156.48516162154
1008536.7989401962
268560.5473755099
14863627.315886568
427.2071
1.79
1.79
0
8
4620658.184935416
2587848.7887559915
7974966.40308934
1266349.9667814944
4744389.446052651
0.0
369.0319
2.94
2.94
0
41
70974947.540217
26707464.93720583
137823907.67921975
4125987.401214195
48901235.74537497
74939.96740285886
415.2548
0.9
0.9
0
49
2021806.2979167136
1731382.2786728868
2681489.846385935
1362122.749447493
2015975.2572941363
1389870.704327387
202.1086
7.85
7.85
0
280
153664.89131985971
140118137.14115417
0.0
307329.78263971943
2003536.9565441117
305855657.3626863
557.3331
1.54
1.54
0
385
124246747.08755644
54575089.790370725
119368531.48279367
129124962.6923192
56195679.4022448
52630382.25612186
318.1915
3.68
3.68
0
78
65670947.99074104
79078195.6546157
64895244.97338983
66446651.00809226
51533910.68224192
112131337.62146424
183.0917
1.45
1.45
0
21
pimelic acid CollisionEnergy:205060
O=C(O)CCCCCC(=O)O
"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)"
21531520.78732222
20925030.2518267
20419862.76018618
22643178.814458262
14482563.71766281
28655990.09282338
229.1182
0.62
0.62
0
46
175455189.34796658
60836132.97120075
205234105.75926653
145676272.93666664
107980838.91126303
4262485.843125978
313.358
3.73
3.73
0
319
2691914.46413354
4988586.569062361
2365782.5194566404
3018046.4088104386
5174365.729084368
4765651.577035951
329.0052
3.62
3.62
0
312
18438483.52736901
4573848.02744638
25623227.605091687
11253739.44964634
7901788.125485099
580319.9097999164
136.0757
2.06
2.06
0
7
132522672.32527643
35763234.73691768
214416197.63045847
50629147.02009436
65465199.11771486
120877.47996105968
272.1646
3.41
3.41
0
21
37512772.58821567
64205472.83465742
6110002.622961457
68915542.55346988
9923260.988603983
129344127.04992154
683.4702
1.55
1.55
0
111
23083651.476883933
21595129.16664554
22945456.209413823
23221846.74435405
17624951.325704392
26359342.575774927
421.2419
1.42
1.42
0
24
43716242.41899151
47042855.40540082
42629388.57485821
44803096.26312482
46461157.008592576
47740893.48157072
208.0394
8.41
8.41
0
112
"methyl 3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzo[b]furan-5-carboxylate CollisionEnergy:102040"
COC(=O)c1ccc2c(c1)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)O2
"InChI=1S/C20H18O7/c1-23-16-8-11(9-17(24-2)19(16)25-3)7-15-18(21)13-10-12(20(22)26-4)5-6-14(13)27-15/h5-10H,1-4H3/b15-7+"
3190071.0795343798
3461536.9651774485
3200784.3281637006
3179357.830905057
2042025.052714754
5164951.2601326825
402.2135
1.77
1.77
0
146
72624408.70873496
87039644.03932366
47949364.25698026
97299453.16048966
65695873.28519845
112652168.9442739
350.2049
1.35
1.35
0
24
1255027.4324686842
1318015.27160776
1379684.822155065
1130370.0427823034
710758.329869491
2046723.601693683
494.2498
2.52
2.52
0
50
8760792.031523677
1709307.1113225722
3342189.750951512
14179394.31209584
3127340.317204152
7667.264264677625
341.0623
2.39
2.39
0
243
17149184.277436655
13083858.582504673
34293232.77324727
5135.781626038514
23987074.06792523
0.0
1323.7655
4.89
4.89
0
48
2622633.0657091127
63255366.741726354
1630434.7833011355
3614831.3481170903
14177291.186851902
122149057.4075757
267.1682
1.36
1.36
0
142
17648430.887367133
17219696.5640993
35097639.26665969
199222.50807456547
31569443.70084872
0.0
576.4116
5.53
5.53
0
1
5804942.454258107
6396872.77055896
5553820.888698775
6056064.019817439
6472364.855991188
6306282.268040288
416.2679
5.61
5.61
0
42
19374433.554303985
13493873.854154749
20283130.819476128
18465736.28913185
12189024.639610486
15059692.911607867
357.2129
0.82
0.82
0
275
Spectral Match to Ile-Pro-Lys from NIST14
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI=1S/C17H32N4O4/c1-3-11(2)14(19)16(23)21-10-6-8-13(21)15(22)20-12(17(24)25)7-4-5-9-18/h11-14H,3-10,18-19H2,1-2H3,(H,20,22)(H,24,25)/t11-,12-,13-,14-/m0/s1
3890771.2490736
5939548.111563128
2572477.000726135
5209065.497421065
6210368.852710072
5614563.222186796
192.1244
7.18
7.18
0
430
11254742.293942766
5225932.948382088
13640078.417605449
8869406.170280088
4608480.934271366
5966875.365314955
432.2598
3.8
3.8
0
39
6717762.643535207
2001939.6193878893
8873269.988983393
4562255.298087022
3426328.196554969
292673.32678739313
415.2116
4.11
4.11
0
170
Zoloperone
COc1ccccc1N1CCN(CCc2c(-c3ccc(F)cc3)[nH]c(=O)o2)CC1
"InChI=1S/C22H24FN3O3/c1-28-19-5-3-2-4-18(19)26-14-12-25(13-15-26)11-10-20-21(24-22(27)29-20)16-6-8-17(23)9-7-16/h2-9H,10-15H2,1H3,(H,24,27)"
54906685.32462364
20062235.313299265
45587682.829841055
64225687.81940621
36558207.29616308
267068.93386267766
316.2272
4.61
4.61
0
21
9381091.597140448
7324982.933368771
8851121.937289046
9911061.256991848
6067278.654018029
8834228.068589661
272.1601
0.37
0.37
0
131
10193495.798980284
6508687.939207989
13237131.27360645
7149860.324354115
8719852.845699677
3855290.051417961
232.9173
0.23
0.23
0
284
18104302.7693996
6996545.182602454
36208605.5387992
0.0
12826999.501437834
0.0
1374.8734
5.48
5.48
0
28
24250609.66271852
31535445.82144848
8515762.86450954
39985456.46092749
10897866.431983966
56300541.0888059
348.1763
0.69
0.69
0
154
13632771.374981938
4452984.178755542
9567198.672726415
17698344.077237457
8050229.831218543
136289.39579993876
342.2423
4.81
4.81
0
21
4338969.056173002
4449096.581406525
4383413.078598271
4294525.033747735
3398065.7253721245
5710333.608647804
286.1549
1.72
1.72
0
35
214784878.835912
216765107.36772528
211440240.42884627
218129517.24297777
159481789.0904738
285505089.30042696
245.1285
1.64
1.64
0
35
Spectral Match to Phe-Pro from NIST14
nan
nan
69642167.07245128
202398991.7003812
8007197.328381582
131277136.81652096
48064478.495992325
387600407.5456477
253.1179
0.65
0.65
0
65
57381373.19444671
14995322.738153867
37958768.02437796
76803978.36451547
27491425.019948754
0.0
216.1383
2.38
2.38
0
21
4890594.643627598
3796054.62822016
9727210.390352791
53978.89690240647
6959433.485070293
0.0
534.363
5.23
5.23
0
28
14094754.986927576
9701015.249103108
19975567.63936275
8213942.334492392
16527803.505319042
1508869.3416439828
432.238
3.93
3.93
0
170
Cgp 35348
CCOC(OCC)P(=O)(O)CCCN
"InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)"
95904041.28084216
113306363.71611376
14790829.88040788
177017252.68127644
68631582.70869018
166916100.925022
165.0546
0.4
0.4
0
113
Spectral Match to L-Tyrosine from NIST14
nan
nan
4183191.399105964
4478610.786289216
4230774.3740471685
4135608.424164759
2397703.631611151
6975699.371902895
415.1976
1.74
1.74
0
295
19877037.274229847
4937783.223670959
20644088.087125394
19109986.4613343
8979285.0367249
87981.04800622613
230.1176
2.38
2.38
0
21
12705030.201032536
13597424.552226989
12888631.195193851
12521429.20687122
7386737.426143381
21050249.103527315
333.2175
2.73
2.73
0
116
6393923.66236697
4171954.069831551
4807382.451627971
7980464.873105972
2892458.499712097
5707348.753974897
409.2442
1.22
1.22
0
111
2724725.939106149
265699.63022438216
87135.32402430334
5362316.554187994
487115.9887447006
0.0
340.2641
5.0
5.0
0
21
21621910.15947169
23261124.677502856
19060944.75559954
24182875.563343853
15372973.867325328
32726905.64971588
267.1679
1.83
1.83
0
24
119329824.41927291
2290900561.3482776
66641799.97643977
172017848.86210606
852434238.5269135
4017060148.733916
215.1389
0.51
0.51
0
16
Spectral Match to Pro-Val from NIST14
CC(C)C(C(=O)O)NC(=O)C1CCCN1
InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
18293706.966911256
17778958.296518415
18079417.36245884
18507996.57136368
9568749.711860016
27631208.598108493
589.3666
1.31
1.31
0
55
48899501.12201833
46973861.05272027
49783434.027683645
48015568.216353
48312023.765051775
45368065.79792248
122.5474
8.41
8.41
0
241
9238539.528952507
5425478.892357432
127677.4496798219
18349401.608225197
1802421.09684724
9773148.246969664
303.0769
0.49
0.49
0
228
699032928.4565834
86914020.98246315
221846389.9026954
1176219467.010471
154086746.17448458
6306750.752037467
260.1647
3.54
3.54
0
21
1261014.108531483
17676720.347851153
0.0
2522028.217062966
307944.9652297978
38519250.80699678
663.4283
1.44
1.44
0
210
58925800.23998546
399821829.0160095
26862232.8526424
90989367.6273285
112336422.7062289
744804316.5877463
189.1233
0.59
0.59
0
16
7113759.118345949
7675288.375644865
6810981.783497259
7416536.45319464
3940035.530670169
12157591.789614502
502.3345
1.17
1.17
0
55
4055932.824363033
856597.5351960178
3990042.6087529655
4121823.039973099
1248010.611032637
386901.8441920747
254.1495
2.0
2.0
0
144
2358953.1008609734
1574962.086230401
2540208.761379249
2177697.4403426973
1571405.4146459517
1579230.0921317402
253.1296
0.7
0.7
0
16
9631637.66850399
1400075.5631006612
2632025.646595891
16631249.69041209
2566805.199017879
0.0
344.1007
2.8
2.8
0
44
1038519.1672676114
20562539.02677304
26271.045383351506
2050767.2891518716
7800001.294615262
35877584.30536238
489.3646
1.14
1.14
0
16
Spectral Match to Leu-Leu from NIST14
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
15765758.675154736
4804921.955596841
16248200.077712094
15283317.272597382
8737261.72903161
86114.2274751189
442.2657
0.89
0.89
0
16
5397471.016098193
6924209.668403765
4602648.770611665
6192293.261584719
8178992.984757945
5418469.688778751
520.333
1.61
1.61
0
42
2544578.144707728
2962341.2517971424
2163770.164463174
2925386.124952284
3037961.709476082
2871596.7025824147
430.389
5.12
5.12
0
91
1334780.4192799204
3637724.799730504
600367.1456767163
2069193.6928831248
2644624.722561988
4829444.892332723
651.5523
8.05
8.05
0
15
29244820.24344014
47983516.69801678
10171157.516073445
48318482.97080684
16260171.256552262
86051531.22777419
358.1968
1.16
1.16
0
85
98338379.52981432
106407610.48868698
102300884.74153046
94375874.3180982
105825670.22273356
107105938.80783103
167.0128
8.41
8.41
0
112
4977950.798091556
24278647.980851065
2095524.125434163
7860377.470748949
19393698.363959
30140587.52112155
267.1677
1.14
1.14
0
142
6644730.612390339
31898090.914992083
540407.7729845409
12749053.451796137
3054840.179628225
66509991.79742871
297.1268
1.32
1.32
0
352
Spectral Match to Met-Phe from NIST14
CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N
InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
6249631.550316586
3324403.8758613886
12499263.100633172
0.0
6094740.439079213
0.0
1203.7189
5.21
5.21
0
48
32735042.206689727
28053121.64880177
34468786.44502105
31001297.968358397
24931851.90136826
31798645.345721982
200.128
0.57
0.57
0
119
3993762.858214034
7522670.513351267
644173.9252387817
7343351.791189286
2225589.041763847
13879168.279256169
396.2108
1.59
1.59
0
24
40644306.64994075
2472678680.2885494
7758722.404852916
73529890.89502859
214714433.07447752
5182235776.945435
245.1858
1.34
1.34
0
16
15380955.684728555
15722811.79099165
15241525.709959865
15520385.659497252
9180546.790725555
23573529.79131097
315.1914
1.4
1.4
0
190
4654045.962269769
3106486.419917253
5927443.0036586
3380648.92088094
4914327.291666617
937077.3738180152
280.8471
0.24
0.24
0
284
25380261.927577805
39623163.42625015
13955045.948489336
36805477.90666627
9771420.159551192
75445255.3462889
423.2599
1.0
1.0
0
14
41270284.65878926
34619913.00279673
81668720.99036233
871848.3272161898
63469840.50512734
0.0
694.2578
0.8
0.8
0
4
2356040.9939431115
917358.6120496168
4302417.30810213
409664.6797840933
1640335.2952333658
49786.59222911726
383.161
2.27
2.27
0
34
7512638.267038989
3698582.558982074
7565796.322138966
7459480.211939012
3025046.3844245006
4506825.96845116
255.1226
3.35
3.35
0
78
30210882.724913377
10780161.507694986
33381770.23726672
27039995.21256004
10618733.933954114
10973874.596184026
418.2437
4.14
4.14
0
78
1861121798.1129808
557554154.9461794
2512558789.98252
1209684806.2434409
1018684679.5850132
4197525.379578784
288.1959
3.96
3.96
0
21
8182229.855905727
5754128.852017302
4462092.390179015
11902367.32163244
1923925.919525316
10350372.371007685
580.3108
1.88
1.88
0
102
11737711.247334853
11337176.722165933
11916106.461485185
11559316.03318452
11527497.115395404
11108792.250290569
663.453
8.05
8.05
0
188
L-phenylalanine_dodecanoic acid
CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI=1S/C21H33NO3/c1-2-3-4-5-6-7-8-9-13-16-20(23)22-19(21(24)25)17-18-14-11-10-12-15-18/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1
949252.8880142444
2274853.74279404
672504.9999581109
1226000.7760703776
723384.2944204197
4136617.080842383
166.0864
1.92
1.92
0
16
PHENYLALANINE
N[C@@H](CC1=CC=CC=C1)C(O)=O
"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1"
528383.7452352148
32488911.94893813
184125.6132276499
872641.8772427797
540174.9685911299
70827396.32535455
435.2713
1.01
1.01
0
17
5671878.224811365
51499730.92244815
0.0
11343756.44962273
3351126.7094125696
109278055.97809084
373.2558
0.36
0.36
0
17
20688573.981101576
23589757.672863763
8153311.220165309
33223836.74203784
11927519.267696112
37584443.75906495
677.4209
1.3
1.3
0
24
51084501.15172135
125043249.38725868
5343545.540663536
96825456.76277916
30686523.218069907
238271320.7902852
183.6103
0.42
0.42
0
384
865733979.3987694
162156140.66292095
364348165.0697544
1367119793.7277842
296649625.4560186
763958.9112037137
244.1696
3.13
3.13
0
21
22400469.324648216
96468426.53718616
6811806.01265603
37989132.6366404
37423233.0228028
167322658.7544462
156.0767
0.23
0.23
0
119
Spectral Match to L-Histidine from NIST14
nan
nan
15001863.136776716
3039751.9012117293
12976794.582540698
17026931.69101274
5572878.485554837
0.0
655.2767
3.17
3.17
0
34
Spectral Match to Coproporphyrin I from NIST14
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O
InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
2161531.7579525826
39008211.47832388
32343.724707921792
4290719.791197244
2826566.2248057625
82426185.7825456
408.2488
1.55
1.55
0
70
488050981.8787742
163094793.7975855
974920466.3890916
1181497.3684570573
299007121.96224004
0.0
667.8021
0.78
0.78
0
514
31365760.54075588
66336970.41327088
19478304.350023355
43253216.7314884
16451653.163235549
126199351.11331327
267.1336
0.99
0.99
0
87
Spectral Match to Thr-Phe from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N)O
InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1
12586308.931301467
5000951.678186336
12758509.890738163
12414107.971864777
4548202.977089094
5544250.119503026
229.1437
3.37
3.37
0
78
8061803.721345951
4308343.835008096
7901712.608841217
8221894.833850685
3742897.875198683
4986878.986779391
287.1492
3.34
3.34
0
78
14589355.904396812
21095911.161271483
5301017.576229322
23877694.2325643
5142416.821972343
40240104.36843045
316.2229
1.43
1.43
0
111
23213200.817973223
5976681.560709448
42114984.27602735
4311417.359919097
10957249.52796732
0.0
327.0468
1.29
1.29
0
324
7481229.17881449
7874044.428051039
6819428.156370633
8143030.201258347
3808395.7587052328
12752822.831266005
399.2601
1.72
1.72
0
16
1348650.210734438
1868571.4160077283
1374864.3377409324
1322436.0837279437
406674.8210627808
3622847.329941665
557.3329
2.0
2.0
0
385
222756554.62645411
26882026.202379856
16996930.62383144
428516178.6290769
49249173.35879415
41449.61468271144
298.2166
4.12
4.12
0
21
277377010.5267891
223615667.1961627
303683911.24618435
251070109.80739385
204682262.14090347
246335753.26247385
326.2072
0.9
0.9
0
111
3020977.3314903565
2350727.615597588
2771516.27861008
3270438.384370635
2945635.614641588
1636838.0167447885
192.1244
7.45
7.45
0
430
1784591.1061741032
3101632.448260064
1205932.669733418
2363249.5426147883
748423.8355241724
5925482.783543134
491.2864
1.88
1.88
0
16
7522431.370019174
6694816.734989937
7507259.791492415
7537602.94854593
5875718.497511558
7677734.619963994
243.1134
1.39
1.39
0
87
5326667.126881585
5322357.288353503
5201601.069484995
5451733.184278178
2980459.7725598724
8132634.307305858
301.2488
2.09
2.09
0
135
271266346.12370014
77292872.0769396
349491146.0350429
193041546.21235737
141092870.52579606
732873.9383118114
314.2115
4.24
4.24
0
21
9357984.436079362
24487089.41645414
584997.8433305573
18130971.02882817
8902457.336016873
43188647.91297885
149.0596
0.7
0.7
0
113
Spectral Match to Tropic acid from NIST14
C1=CC=C(C=C1)C(CO)C(=O)O
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
41795500.70550306
467822235.77842486
38012739.94842672
45578261.4625794
99239349.45500451
910121699.3665292
322.1871
0.68
0.68
0
17
Spectral Match to Arg-Phe from NIST14
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)/t11-,12-/m0/s1
8489604.655644087
1510651.6977663168
3010427.464617469
13968781.846670704
2769528.112571581
0.0
384.1347
1.92
1.92
0
189
2365000.5429993025
287803.1901124517
644895.3452462854
4085105.740752319
527639.181872828
0.0
298.2017
4.01
4.01
0
5
oxo-C12-HSL
3236378.12347662
5683984.631300627
1576344.6650506102
4896411.58190263
1333058.5205272036
10905095.964228734
491.2864
1.88
1.88
0
16
1083466.2531522254
33316682.607178327
0.0
2166932.506304451
1329782.6459442766
71700962.56065919
562.3803
1.25
1.25
0
166
699877.3621866849
77605.50304798885
1360619.9419021693
39134.78247120031
135480.59382867152
8155.394111169623
298.3471
4.82
4.82
0
230
4775536.120906825
832926.2189346693
983842.5921531086
8567229.64966054
1265339.0408680602
314030.8326146004
260.1647
2.92
2.92
0
21
6279128.73459434
5736950.426861807
6725969.229513623
5832288.239675057
6157718.294568357
5232028.985613945
181.9509
8.94
8.94
0
145
65160910.76916888
51785252.85792735
52786915.24706889
77534906.29126886
41135736.013948806
64564673.0707016
311.1233
0.42
0.42
0
16
0
NC(Cc1ccc(O)cc1)C(=O)NC1CC(CO)C(O)C1O
"InChI=1S/C15H22N2O5/c16-11(5-8-1-3-10(19)4-2-8)15(22)17-12-6-9(7-18)13(20)14(12)21/h1-4,9,11-14,18-21H,5-7,16H2,(H,17,22)/t9-,11+,12-,13-,14+/m1/s1"
13343583.090350242
9862398.51878181
26064071.538540408
623094.642160078
18053097.132997237
33560.18172329934
171.1376
5.2
5.2
0
28
10-Hydroxydecanoic acid CollisionEnergy:102040
O=C(O)CCCCCCCCCO
"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)"
67794642.00301701
49778858.59405491
76924685.74137019
58664598.264663845
42596361.242702745
58397855.4156775
227.6546
0.61
0.61
0
51
3308993.385382505
2639149.5971372155
2671121.524767991
3946865.245997019
2181358.6312333355
3188498.7562218728
273.1442
0.59
0.59
0
229
21428892.517435748
16887602.950330295
22577306.39687921
20280478.637992296
15173419.152682446
18944623.507507715
376.1711
0.6
0.6
0
291
6206188.63345863
3310190.0795931816
12412377.266917264
0.0
6068681.8125875
0.0
1186.7645
5.18
5.18
0
28
427027.50312562217
156904.28695740158
854055.0062512443
0.0
287657.85942190286
0.0
672.4627
7.33
7.33
0
335
549849762.3142256
799139512.2636456
200087844.5683041
899611680.0601472
453685776.918428
1213683994.6779068
150.0583
0.34
0.34
0
444
METHIONINE
CSCC[C@H](N)C(O)=O
"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1"
31877046.48772453
7036573.449740944
35606233.23466732
28147859.740781754
12900384.657858396
0.0
563.3486
3.31
3.31
0
3
13281024.439878948
14830566.711104888
13268186.797555543
13293862.082202358
7386968.612839424
23762884.429023445
315.1915
1.79
1.79
0
18
136170970.57968697
16412083.97564962
41316213.02821124
231025728.13116276
29137898.756594937
1141106.2385152334
261.1683
3.54
3.54
0
21
885330.9398906477
66367374.60435462
0.0
1770661.8797812953
1314332.7118963422
144431024.87530455
435.2711
1.35
1.35
0
55
31763859.11611004
84814882.4821157
592333.1113439807
62935385.1208761
10190813.39895271
174363765.38191128
340.198
0.6
0.6
0
120
62611209.42025727
71333907.94626547
9618646.740613643
115603772.0999009
28887940.746801514
122269068.58562222
262.148
0.56
0.56
0
93
22094427.239101376
23904828.93268955
21298481.91963652
22890372.55856624
22996915.858089093
24994324.6222101
272.2586
3.64
3.64
0
281
5391466.271390015
2709785.2700078343
10713077.962185988
69854.58059404307
4967939.66168103
0.0
677.4091
5.22
5.22
0
28
56646205.66784955
56739607.57499376
60181425.9802318
53110985.35546729
60385108.02665321
52365007.03300243
226.012
8.4
8.4
0
145
4493160.517593263
2890474.7925513
4672984.173697603
4313336.8614889225
2854299.4055327084
2933885.2569736093
231.1167
1.52
1.52
0
16
Spectral Match to Val-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N
InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
6279665.999182132
371482.68704970647
177679.94677451006
12381652.051589755
681051.5929244618
0.0
342.2794
5.45
5.45
0
21
312654132.47458726
714525615.3756016
28047541.349403188
597260723.5997714
105945169.2968886
1444822150.6700573
281.1494
0.83
0.83
0
16
Spectral Match to Tyr-Val from NIST14
nan
nan
59030051.50760725
1582367.3955078328
534712.0243865707
117525390.99082792
2901006.891764361
0.0
539.3642
3.79
3.79
0
21
204760732.43820736
211018656.6922939
191620861.75566897
217900603.1207457
141479382.12828925
294465786.16909945
228.1705
0.59
0.59
0
171
1001440.4848794612
260410.5405261697
285825.73807832086
1717055.231680601
474826.4271913753
3111.4765279229646
269.1363
2.13
2.13
0
7
15546184.230961474
17374586.535879992
9984726.92052571
21107641.54139724
7074492.879692726
29734698.923304707
374.2285
1.05
1.05
0
70
14624592.03517752
20037990.667774554
9297003.794676846
19952180.275678188
5780676.141954367
37146768.09875877
574.4171
1.5
1.5
0
109
4541639.134180854
1052863.4888742608
2023541.9487376548
7059736.319624051
1746285.0254837505
220757.64494287295
232.1544
2.32
2.32
0
65
2-(3-carboxypropanoylamino)-3-methylpentanoic acid CollisionEnergy:102040
CCC(C)C(N=C(O)CCC(=O)O)C(=O)O
"InChI=1S/C10H17NO5/c1-3-6(2)9(10(15)16)11-7(12)4-5-8(13)14/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)"
7055126.893860226
13595399.754010413
5184647.660813491
8925606.126906963
2941128.384944229
26380525.39688983
505.2657
1.3
1.3
0
16
132589412.15187413
86316315.83860298
250700151.38238704
14478672.92136121
158246579.03743878
0.0
338.1432
0.31
0.31
0
383
22347384.255148
16500308.803669982
26038465.99215627
18656302.51813972
16789078.965051297
16153784.610012405
362.1554
0.38
0.38
0
291
110084473.67265862
226464661.01808783
26061092.35906349
194107854.98625377
54089132.63252014
433315295.08076906
344.2545
1.65
1.65
0
20
33567212.9196409
12658923.827758707
37219988.5302835
29914437.308998294
23208027.017557625
0.0
233.068
0.86
0.86
0
53
Massbank:PR311038 Threonylleucine (isomer of 925, 926)
O=C(O)C(NC(=O)C(N)C(O)C)CC(C)C
1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)
15759753.934895018
12023438.502638023
31478066.39445032
41441.47533971808
22042970.588169716
0.0
654.4062
4.59
4.59
0
28
2720907.0028222706
1879613.1512515936
2328067.668195892
3113746.337448649
1617854.488884811
2193723.5460917326
227.128
3.34
3.34
0
78
800860219.5089148
787394845.6363902
807743651.1135901
793976787.9042395
454906280.75527024
1186381123.493734
439.2916
1.69
1.69
0
111
139738063.80912024
59380019.2087301
260632761.5161585
18843366.10208193
108604429.40547556
310726.9726355469
211.0866
2.23
2.23
0
21
157345435.42289817
375094549.5884101
13941856.256351592
300749014.5894448
86476427.22171518
721436296.4284438
189.1232
0.77
0.77
0
65
Spectral Match to Gly-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)CN
InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
1204917.6431369882
281680.4902066753
2356046.092383995
53789.19388998155
516414.2320455715
0.0
333.1298
2.36
2.36
0
324
9568824.346379312
10446026.653190164
8330782.289095161
10806866.403663464
11065797.423651954
9702301.728636015
223.9885
5.79
5.79
0
145
25083289.114278767
10682569.27114604
26094926.83109892
24071651.3974586
10880501.993356513
10445050.004493471
257.1384
3.37
3.37
0
78
22725187.842025846
23103722.793846432
22111101.980115224
23339273.70393647
23118717.719849277
23085728.88264301
274.274
3.4
3.4
0
320
Massbank:LU030803 Lauryldiethanolamine|2-[dodecyl(2-hydroxyethyl)amino]ethanol
CCCCCCCCCCCCN(CCO)CCO
1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3
11239596.548887478
5447750.263381563
10812401.961807454
11666791.135967502
9952689.624323724
41823.03025096822
323.1731
3.29
3.29
0
9
11389689.018789718
14833181.384344794
3280435.724756062
19498942.312823374
6567229.048613577
24752324.18722226
404.1787
0.93
0.93
0
186
131290.01419325982
3198258.965515021
44477.92022453127
218102.10816198832
64669.337011004274
6958566.519719842
668.3607
1.71
1.71
0
396
17218219.377483707
21493926.842168257
1544702.6196043491
32891736.13536306
4630657.3044682965
41729850.28740822
653.4208
1.14
1.14
0
24
1307261.3368524024
1456809.807586545
2184122.3291428816
430400.3445619235
2624385.08157613
55719.47879904266
322.1011
4.33
4.33
0
44
4915619.1753485575
225694717.1829973
2253555.5204041367
7577682.830292977
12010961.929837711
482115223.48678863
313.1548
1.66
1.66
0
16
Spectral Match to Phe-Phe from NIST14
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N
InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)
50871465.56412598
53392069.677522056
51858611.337210126
49884319.79104182
31174791.541234683
80052803.44106689
337.2232
1.4
1.4
0
60
56873706.8679983
58468464.66945376
2657343.973785646
111090069.76221097
24079967.71155988
99734661.01892644
265.1219
0.48
0.48
0
181
1764277.4336592266
2000998.2214414012
2317608.7510076724
1210946.116310781
2761333.95230053
1088595.3444104474
684.2031
8.34
8.34
0
279
ACARBOSE
CC1OC(OC2C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O
InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3
4287438.305358504
674010.4697621752
432747.2372031103
8142129.3735139
1235685.8612306546
0.0
284.2011
3.82
3.82
0
21
2725437.6999536827
2183333.5191564825
3535857.9367346507
1915017.463172714
3348980.870093236
784556.6980323792
158.964
0.24
0.24
0
145
7329875.211294091
6211796.109109887
14274715.15959205
385035.2629961334
11388292.86670146
0.0
548.378
5.19
5.19
0
28
30262906.72561964
31432839.56459099
29873281.89711087
30652531.554128405
31766416.93889136
31032546.71543055
146.9803
8.36
8.36
0
140
3248558.996080566
2954431.6822985564
3230956.3140496486
3266161.678111483
2467215.672272014
3539090.894330407
182.0923
0.64
0.64
0
26
6401308.762285019
32447258.83637084
3583607.670452514
9219009.854117526
4375330.219523229
66133573.17658798
385.2553
0.56
0.56
0
17
Spectral Match to Ile-Pro-Arg from NIST14
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N
InChI=1S/C17H32N6O4/c1-3-10(2)13(18)15(25)23-9-5-7-12(23)14(24)22-11(16(26)27)6-4-8-21-17(19)20/h10-13H,3-9,18H2,1-2H3,(H,22,24)(H,26,27)(H4,19,20,21)/t10-,11-,12-,13-/m0/s1
1890099.032673137
1799257.514311131
2014790.836569002
1765407.2287772724
1137070.9318442536
2593881.413271384
245.1284
2.51
2.51
0
62
8131460.12998345
35589587.04515732
0.0
16262920.2599669
1596702.8655586643
76381048.06067571
409.2441
0.85
0.85
0
29
2036045.095967832
282758.5659883255
1058341.4146214975
3013748.777314165
518390.70431193017
0.0
503.3272
3.29
3.29
0
76
19639178.102548286
17897097.001230817
20224095.894006778
19054260.311089788
12624798.589569408
24223855.095224507
267.1337
1.2
1.2
0
87
Spectral Match to Thr-Phe from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N)O
InChI=1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1
1128370.2642461366
707633.4523054867
1213313.4446876626
1043427.0838046108
486429.2135734549
973078.5387839248
307.1541
3.72
3.72
0
141
7185010.85552246
2787915.354090201
7692330.40993951
6677691.30110541
2559165.046128059
3062415.723644772
346.2227
4.3
4.3
0
78
38291990.20949168
75211832.62922591
9372044.685955347
67211935.73302801
30774846.052786488
128536216.52095322
148.0604
0.27
0.27
0
119
9039378.721854951
8677515.553789431
14229323.999491565
3849433.444218345
7329524.563932777
10295104.741617415
188.0705
0.94
0.94
0
437
Spectral Match to L-Tryptophan from NIST14
nan
nan
2402648.993183433
2820589.909436804
2524005.949526848
2281292.03684002
1436354.0576535051
4481672.931576763
339.1704
2.43
2.43
0
116
12727619.429299789
9692528.27612971
24799670.762199823
655568.0963997474
17747496.063593034
26566.931173723053
341.2677
5.19
5.19
0
28
8329655.144352428
9086944.679931257
8512050.110687664
8147260.178017192
4691629.359857474
14361323.064019794
371.208
1.82
1.82
0
60
29749353.62005873
22837967.68559749
37337225.33443245
22161481.90568502
29224873.63858572
15173680.542011624
149.0822
8.26
8.26
0
112
Vinconate
CCN1CCc2c3C1CC=C(C(=O)OC)n3c1ccccc21
"InChI=1S/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3"
4020707.003772084
400235.2783286164
7599045.982271361
442368.02527280914
733764.6769357966
0.0
543.3222
3.41
3.41
0
21
65517477.3477363
61769757.50119331
10297443.450447608
120737511.245025
29988435.93961529
99907343.37508692
263.1059
0.27
0.27
0
30
243523365.4604902
385566922.1070843
51985674.71616935
435061056.20481104
104979638.95607658
722271661.8882935
316.2229
1.14
1.14
0
111
40890300.58898294
40332504.36963735
41509901.11790078
40270700.06006511
42727054.95328402
37459043.669261344
224.0117
8.48
8.48
0
422
417092.3361866869
116107086.5220351
0.0
834184.6723733739
30918928.78358641
218332875.8081735
429.2701
0.5
0.5
0
16
282712939.602135
55823442.13404185
448505262.9946948
116920616.20957506
102342977.2457434
0.0
571.3538
3.74
3.74
0
21
1722238.7755236074
591531.7564001487
3263334.155970518
181143.39507669568
1084474.886733606
0.0
339.1683
3.59
3.59
0
9
3153621.202495729
3467538.6977003366
3083694.2529003383
3223548.15209112
3703956.9204845927
3183836.8303592303
402.358
4.69
4.69
0
91
2689771.578837805
1068778.2704928762
5023244.015909894
356299.1417657144
1959426.82923694
0.0
452.9474
2.8
2.8
0
328
3140734.1595199467
938011.0478398754
3184679.8612657483
3096788.457774146
1715595.4863011546
4909.72168634063
159.067
3.91
3.91
0
127
6782560.175082631
1152386.9934326282
7366211.0718365
6198909.278328764
2112709.4879598184
0.0
242.1176
2.47
2.47
0
494
62072724.96005684
29536609.346622583
124100572.44648534
44877.47362836023
54150450.46880806
0.0
1318.8089
4.88
4.88
0
28
554129.1137401619
2096759.541024875
331183.9996323684
777074.2278479552
389658.7998897335
4145280.430387045
229.1544
2.07
2.07
0
135
Spectral Match to Pro-Leu from NIST14
nan
nan
8853931.915725805
7921395.119450799
9543013.663649172
8164850.167802442
3655712.574796631
13040214.173035802
487.3128
1.47
1.47
0
162
5841313.108129215
2416209.79888555
10194001.874166118
1488624.3420923129
3852137.810071241
693096.1854627214
236.1496
0.54
0.54
0
51
2132954.5039970647
2459347.52536339
2137248.9157389705
2128660.092255159
1298381.3279993983
3852506.9622001774
363.1914
2.26
2.26
0
18
8318487.335472241
9549528.255879777
8385812.080754928
8251162.590189557
6503745.614608252
13204467.425405605
471.2213
1.2
1.2
0
24
8516291.795114418
5299824.208539255
16755624.299377246
276959.2908515917
9706220.22373329
12148.99030641412
153.1275
4.89
4.89
0
28
10-HYDROXYDECANOATE
C(CCCCC(=O)O)CCCCO
"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)"
9320487.396686953
6604025.4274660135
9285035.774707587
9355939.01866632
6137446.127455802
7163920.587478265
258.1563
0.26
0.26
0
253
3118122.2510476126
3567825.808048305
3607433.650439104
2628810.8516561217
2003672.101171554
5444810.256300407
444.2708
2.84
2.84
0
50
7092460.662124872
6151666.015316582
14149547.446927637
35373.87732210983
11271514.484806769
7847.851928358284
522.3642
4.58
4.58
0
1
5871369.331814606
4785457.430100505
86912.21292230702
11655826.450706905
2234362.3466546326
7846771.530235553
301.1188
0.48
0.48
0
100
1250566.5944289232
5149356.88922941
741902.208242233
1759230.9806156133
1016992.4327667224
10108194.236984637
390.2025
2.2
2.2
0
344
4072897.408394499
14020964.341917628
0.0
8145794.816788998
675813.5305101515
30035145.315606598
557.2964
1.05
1.05
0
16
14630584.60923846
71762604.47559983
7237663.864783656
22023505.353693265
7532398.449270333
148838851.70719522
350.2064
1.7
1.7
0
199
3313010.867888184
1205305.4129097536
2679083.6870416105
3946938.0487347567
2086590.4793677563
147763.33316015036
387.1804
3.51
3.51
0
86
ReSpect:PT111810 1-O-b-D-glucopyranosyl sinapate|1-O-Sinapoyl-beta-D-glucose|1-O-Sinapoyl beta-D-glucoside|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-eno
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O
1/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1
8480835.211884582
3597890.882529515
16933068.599991653
28601.823777510173
6596133.284637443
0.0
329.1687
0.68
0.68
0
160
4363558.169173474
1381175.6582706284
8628277.710230654
98838.62811629668
2532155.373496152
0.0
687.0742
2.94
2.94
0
272
3764111.4595643096
4205527.337016713
3690139.361629324
3838083.557499295
2014914.561977784
6834262.667063428
285.2173
2.34
2.34
0
116
25028443.519081715
198216761.9146376
25006176.101140868
25050710.937022567
41958150.39462194
385727095.7386564
338.1819
0.38
0.38
0
17
50400814.0049935
28887806.63254178
53999162.98817468
46802465.02181232
20757761.29027913
38643861.04325697
322.2013
4.46
4.46
0
141
29088468.65294555
29227188.479556598
29465512.433910068
28711424.87198104
28968207.332630545
29537965.855867844
482.4055
5.7
5.7
0
42
7862712.193435059
8471621.366587115
6752309.1638922095
8973115.222977908
8255422.851531495
8731059.584653862
336.3106
5.46
5.46
0
42
494993.3427127188
44339198.566431694
589252.4596826377
400734.22574280034
2968955.250318441
93983490.5457676
469.256
1.48
1.48
0
17
11726909.593130397
8202027.546341286
23005623.74441795
448195.4418428368
14881414.705752298
186762.9550480712
385.294
5.52
5.52
0
28
53517085.66661764
23657066.851630244
106823393.49244748
210777.840787773
43371289.22798878
0.0
379.6928
0.74
0.74
0
160
16600153.338079069
7488949.478626552
32430843.192795213
769463.4833629265
13729740.710815342
0.0
306.1448
0.83
0.83
0
530
2751856873.4875
894499739.086439
5281748301.482657
221965445.49234357
1638278931.1586297
1964708.599810249
325.0676
3.18
3.18
0
243
Pyochelin
CN1C(CSC1C2CSC(=N2)C3=CC=CC=C3O)C(=O)O
InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13?/m1/s1
242389055.8876574
221173038.7352757
467724549.8780017
17053561.897313174
405099178.2723248
461671.29081685294
527.3182
5.19
5.19
0
48
7185247.726464407
4144534.0434964034
14336161.332380071
34334.120548742525
7598312.41307674
0.0
562.3943
5.79
5.79
0
28
15286721.949496852
17516511.642052647
13065227.787369726
17508216.111623976
17633519.714858677
17376101.95468542
424.3634
5.47
5.47
0
42
8391043.656875497
8417980.206297416
8839377.175501674
7942710.13824932
9160982.1084541
7526377.923709397
296.9707
8.41
8.41
0
227
1746682.349596569
74109882.99149723
0.0
3493364.699193138
8045963.488839112
153386586.394687
459.3163
0.92
0.92
0
16
351177.5163864018
1300934.8871550048
519797.103755826
182557.9290169776
2293616.042959288
109717.50018986472
397.3793
5.62
5.62
0
448
43091697.61428591
37293357.941184826
85023269.46144687
1160125.7671249586
68338872.02050735
38741.04599778866
701.408
5.48
5.48
0
48
5680289.647693247
6176562.695759093
5732488.266349331
5628091.029037162
3335159.0349644027
9586247.088712722
315.2644
2.21
2.21
0
135
75452843.2420393
75254478.89365634
74409953.2545838
76495733.22949478
47040945.49251797
109110718.9750224
291.1338
1.78
1.78
0
155
5270588.53116893
930050.0347568804
741880.1512813857
9799296.911056474
1705091.730387614
0.0
326.2479
5.1
5.1
0
21
3104297990.7541423
4227400388.228423
518524890.2933106
5690071091.214973
2149054652.6383567
6721415270.936503
132.102
0.5
0.5
0
16
L-Alloisoleucine - 40.0 eV
CC[C@@H](C)[C@@H](C(=O)O)N
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
4799459.313335491
5097072.287573454
4914129.390355182
4684789.236315801
5384106.726282526
4752630.961122569
702.5368
5.65
5.65
0
42
2827469.6829630043
2640071.248109247
2522786.8020910854
3132152.563834923
1667282.9822572723
3807417.167131616
319.2009
2.4
2.4
0
116
495688872.32195073
114104767.38476025
641489029.0409212
349888715.6029804
208773061.8389324
502814.0397536155
274.1803
3.62
3.62
0
21
4-hydroxy-2-octylquinoline 1-oxide:Series 4 HAQ C8
OC1=C2C=CC=CC2=[N+]([O-])C(CCCCCCCC)=C1
InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18(14)20/h8-9,11-13,19H,2-7,10H2,1H3
33265772.709595934
45372595.50461766
11618151.290134149
54913394.12905771
10423518.257244404
87311488.20146558
655.4388
1.28
1.28
0
111
8346866.559529602
8126232.706335911
8262066.630383323
8431666.48867588
5270582.901527978
11553012.472105434
388.1978
1.59
1.59
0
146
23619572.354826327
102158754.18455549
3120376.267577172
44118768.44207548
17752070.44948786
203446774.66663665
294.181
0.4
0.4
0
131
Spectral Match to Phe-Gln from NIST14
nan
nan
2070628.819870337
3865838.552797272
1004443.331189748
3136814.308550926
3982196.800545275
3726208.655499668
138.1027
7.12
7.12
0
157
166442889.79085448
91165799.19173253
329991055.2738705
2894724.307838533
167048870.05265263
106114.15862844144
694.436
5.22
5.22
0
28
126139465.9411462
35252722.2218177
122366848.42767042
129912083.45462205
63623920.21916458
1207284.6250014356
216.1017
2.01
2.01
0
21
4117624.692706874
13947292.905355
974731.161999279
7260518.223414469
2755394.1478260034
27377571.4143898
120.0806
1.09
1.09
0
16
50290673.54293072
16847058.611510113
36369168.801767565
64212178.28409385
30886274.121101875
0.0
202.1228
1.91
1.91
0
21
428830079.53808975
92073456.43040104
637715416.9450586
219944742.13112092
168801336.78906855
0.0
575.3848
3.96
3.96
0
21
9476349.57449727
9482738.88011833
10261142.466581369
8691556.682413174
10348997.496382374
8443228.540601479
628.4997
5.99
5.99
0
42
16916777.40519107
13087223.151855526
14376252.425760925
19457302.38462122
9841439.36026537
16982163.701763712
400.1841
1.08
1.08
0
24
25038440.8545568
22095438.801315136
49787894.70772249
288987.00139111426
40508304.46907775
0.0
499.2883
4.58
4.58
0
48
42619837.9749046
44397028.992774606
44442021.09947171
40797654.85033747
45553470.26015052
43009299.47192352
181.0145
8.4
8.4
0
140
7863410.088446639
4223790.4318708265
1174731.0968564956
14552089.080036782
1932592.9371808064
6973227.425498849
490.2687
0.52
0.52
0
181
8065289.125411023
3552852.1321199536
16130578.250822049
0.0
6513562.242219915
0.0
1082.7553
5.79
5.79
0
28
2514123.923505881
1158932.2569785856
5028247.847011761
0.0
2124709.137794073
0.0
569.3659
6.07
6.07
0
48
99344757.37810564
99790911.50867347
97283663.3084039
101405851.44780742
64403888.68219582
142255338.90044665
295.1651
1.38
1.38
0
16
Spectral Match to Tyr-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1
24709507.69149625
23606611.30515785
21262194.162795056
28156821.220197443
17794949.340597715
30580605.66263001
293.113
0.97
0.97
0
87
Spectral Match to PyroGlu-Tyr from NIST14
nan
nan
3004357.298339255
450628.0812245798
5438738.079770866
569976.5169076449
826151.482245063
0.0
589.1546
3.44
3.44
0
189
11419480.50069888
9417326.281160438
11215549.25670036
11623411.7446974
9291904.240839403
9567832.72954568
207.1127
1.34
1.34
0
225
7697892.328879092
6651395.270994387
7859366.06758955
7536418.590168635
5768570.792800467
7710784.644827092
233.1032
0.35
0.35
0
225
19436223.23237753
206219829.2562981
15952028.338507866
22920418.126247182
43529381.70511191
401448366.3177215
203.139
0.58
0.58
0
16
1914873.977195844
2760475.7007348104
2205228.6436543814
1624519.3107373065
4961438.429311267
119320.42644306264
282.2792
5.92
5.92
0
448
Spectral Match to 9-Octadecenamide, (Z)- from NIST14
CCCCCCCC/C=C\\CCCCCCCC(=O)N
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
9046705.693210714
9959262.897954272
8908313.839235177
9185097.547186248
5189943.073771137
15682446.68697403
307.1652
2.31
2.31
0
56
13498594.84372942
35248635.30157917
127059.42566156638
26870130.26179728
5770244.609752472
70622704.13177122
493.3021
1.2
1.2
0
16
1480775.3057097588
344625.3784147535
706504.7510055314
2255045.860413986
588869.8740000323
51531.983712419016
266.1385
2.44
2.44
0
65
CHEMBL446487
O=C(O)CCC(=O)NC(Cc1ccccc1)C(=O)O
InChI=1S/C13H15NO5/c15-11(6-7-12(16)17)14-10(13(18)19)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)
16082041.38696908
14395627.53710181
12756165.242003262
19407917.531934906
10789529.632693244
18722945.022392087
237.1232
1.15
1.15
0
16
299869588.4778115
339413004.09970206
264884150.0238987
334855026.93172425
183725328.1481322
526238215.2415859
245.186
1.82
1.82
0
16
Spectral Match to Ile-Leu from NIST14
nan
nan
14728658.205472784
11750033.934248298
15023659.647349522
14433656.763596049
10002763.150588945
13846758.874639526
281.1473
1.73
1.73
0
24
4743161.584411756
4561317.402139086
4997708.050755036
4488615.118068476
4753600.661603987
4330577.490781205
672.5259
5.97
5.97
0
42
9024813.479494706
9830095.70376584
7855773.76269607
10193853.19629334
9615199.13044206
10087971.59175438
380.3371
5.47
5.47
0
42
2791898.9445267245
3144134.9802761525
3000830.816804182
2582967.072249268
3808070.0606488897
2347412.8838288686
504.3201
5.88
5.88
0
42
1680595.5246473623
257594.0852020695
3361191.049294725
0.0
472255.82287046063
0.0
380.1858
4.42
4.42
0
86
19878046.13099411
940181.2634668738
257154.1385183191
39498938.1234699
1723665.6496892686
0.0
541.3794
3.82
3.82
0
97
10424822.85303735
10626907.356625794
10233913.567431867
10615732.138642834
5897137.836879184
16302630.78032172
305.1859
2.38
2.38
0
116
499270770.5026462
1272239784.9942358
75849105.24074614
922692435.7645464
397068134.5729747
2322445765.499749
269.1605
0.35
0.35
0
108
Spectral Match to His-Ile from NIST14
CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N
InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
9966793.515359202
21411979.078726407
10975874.043880284
8957712.986838123
11180341.55470556
33689944.10755142
124.0394
0.33
0.33
0
21
nicotinic acid CollisionEnergy:102040
O=C(O)c1cccnc1
"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)"
6582502.823681053
4714547.142439378
12878291.442614129
286714.2047479744
8637668.477892717
6801.539895371493
189.1478
5.19
5.19
0
28
10-HYDROXYDECANOIC ACID
C(CCCCC(=O)O)CCCCO
"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)"
65987617.00297981
71657419.81334135
4979132.996114044
126996101.00984555
39221295.436647326
110580769.06537418
147.1127
0.25
0.25
0
119
Lysine
nan
"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1"
1666223.9874938738
3075520.9772611307
803537.3719852018
2528910.603002546
3035289.3563222825
3123798.9223877494
167.1292
7.11
7.11
0
157
6317852.652725935
6189848.202233786
6174665.774005615
6461039.531446257
6881701.154526468
5359624.659482569
152.1183
7.37
7.37
0
211
35846499.13343216
35158076.83428952
35130499.13198381
36562499.13488052
34841507.972283944
35537959.46869622
223.9884
8.41
8.41
0
422
34848767.054575674
49860115.937903255
282714.6075821865
69414819.50156918
6874479.981637715
101442879.08542188
251.6708
1.02
1.02
0
214
9554774.333312033
39084168.50364798
1296844.781370317
17812703.88525375
13707578.52856412
69536076.47374862
287.1364
1.12
1.12
0
24
4078420.6234188937
1975406.058315491
3902754.635018549
4254086.61181924
1915354.584658065
2047467.826704402
285.1699
3.99
3.99
0
78
48151442.03560162
50375460.1423268
47544144.41783404
48758739.65336922
50211009.0717724
50572801.42699206
171.993
8.55
8.55
0
140
3-Cyanocoumarin CollisionEnergy:102040
N#Cc1cc2ccccc2oc1=O
InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
10627522.764650973
1914284.8185541136
8787942.459651407
12467103.069650538
2864199.820728189
774386.8159452227
268.1653
2.38
2.38
0
144
13381099.424119871
19004921.468848094
2771917.815200127
23990281.03303962
5529915.082278152
35174929.132732034
513.2685
1.63
1.63
0
24
94577665.70841354
19110040.67237725
184771307.658266
4384023.7585610645
35008183.62718124
32269.126612464617
275.0306
1.75
1.75
0
21
112876806.88131674
81681500.08446145
118317476.29987337
107436137.46276008
73319924.82369752
91715390.39737818
344.1814
0.59
0.59
0
111
12100551.06795332
10272098.64957858
23720458.99104977
480643.14485687297
18832180.85756073
0.0
696.4529
4.88
4.88
0
1
5115225.254132621
928031.7986760624
305331.29584538465
9925119.212419858
607177.5731841476
1313056.8692663603
429.2706
0.91
0.91
0
16
533943.5732646425
4206863.084797785
0.0
1067887.146529285
354068.16252027126
8830216.991530802
539.2861
1.79
1.79
0
16
6926112.570191182
6719317.869598439
7240125.668021371
6612099.472360994
3708037.087270251
10332854.808392262
416.2391
2.51
2.51
0
50
280278634.83199424
260002081.9079769
267327796.9842461
293229472.6797424
191716783.6316684
341944439.83954704
270.1921
0.88
0.88
0
40
8403523.694768207
19583903.902035635
4094566.6595414034
12712480.729995012
3839506.5873600296
38477180.67964636
525.2712
1.83
1.83
0
16
39069671.086674936
14643796.72289886
75442099.31259896
2697242.860750928
24591588.52659746
2706446.5584605457
486.2922
1.04
1.04
0
49
671522171.9661046
8890957999.212904
64706203.33384871
1278338140.5983603
1105565142.8329034
18233429426.868904
229.1545
0.83
0.83
0
16
Spectral Match to Pro-Leu from NIST14
nan
nan
24046334.89184122
2921669.7884854083
2329829.21581695
45762840.5678655
5356394.612223248
0.0
324.2325
4.67
4.67
0
21
1025175.5003527624
1505788.9980066814
2050351.0007055243
0.0
2760613.1630122494
0.0
466.3016
3.99
3.99
0
28
1418249.4200182932
544454.876017282
1872233.8745513365
964264.9654852496
603785.2168128851
473258.4670625582
400.2366
6.13
6.13
0
244
9063247.00289699
8864282.16730665
9339822.437007328
8786671.568786653
9055980.820707848
8634243.783225212
163.9403
8.95
8.95
0
145
5743094.303096689
17369503.284195762
553159.8752225252
10933028.730970854
1747179.413168191
36116291.929428846
359.265
1.27
1.27
0
14
55146864.600923486
42762423.13613976
39672163.14092607
70621566.0609209
29526865.55498461
58645092.23352593
329.1496
1.58
1.58
0
16
Spectral Match to Tyr-Phe from NIST14
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N
InChI=1S/C18H20N2O4/c19-15(10-13-6-8-14(21)9-7-13)17(22)20-16(18(23)24)11-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)
2019030.7458689085
1247234.4805953298
4038061.491737817
0.0
2286596.5477581047
0.0
666.4063
4.67
4.67
0
28
3198510.296224073
2543157.045372271
3602506.7539118323
2794513.8385363133
2968495.571823373
2032750.8136309483
139.123
8.36
8.36
0
157
17697742.824701034
18894746.272788797
17292356.17282925
18103129.47657281
19295220.17030449
18414177.595769957
299.9127
8.52
8.52
0
445
1865160.4833523915
199514.31018770905
1152443.7767698492
2577877.189934933
365776.2353441333
0.0
280.0754
3.08
3.08
0
582
7811885.101434299
11334445.207479574
1019114.4598320212
14604655.743036576
1798979.8013473763
22777003.69483821
642.3455
1.43
1.43
0
221
34160849.389548816
221127145.36643943
2430851.561287093
65890847.21781054
37202790.14499726
441836371.6321702
249.1263
0.75
0.75
0
16
Spectral Match to Val-Met from NIST14
CC(C)C(C(=O)NC(CCSC)C(=O)O)N
InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
146868178.19890553
1105330899.2749252
13909401.043895785
279826955.3539153
261707801.45476377
2117678616.659119
230.1581
0.83
0.83
0
93
9954202.234362042
1559081.5263439552
7198193.720516272
12710210.74820781
2396763.4231648105
553863.2501589283
302.15
2.49
2.49
0
144
8740321.537603447
8212020.224276269
9052386.443545938
8428256.631660959
8523661.75675874
7838050.385297306
130.1592
8.34
8.34
0
230
3499934.3782593105
364188.86250744737
5211318.4992121095
1788550.2573065131
667679.5812636535
0.0
559.3534
3.61
3.61
0
97
2059930.03326922
374555.9518062407
4119860.06653844
0.0
686685.9116447746
0.0
687.0757
3.19
3.19
0
272
1068300.4660280405
1502212.304657397
1134454.423382108
1002146.508673973
643902.6733687386
2532183.862203787
285.2174
2.82
2.82
0
116
17771949.457623992
18881146.31687868
16981723.72409864
18562175.19114933
9740144.62892883
29850348.342418503
289.1545
1.73
1.73
0
354
6884003.339342289
8694405.51801122
6865803.963804676
6902202.7148799
4774115.662487025
13398753.344640257
201.1386
1.76
1.76
0
21
10449760.33724528
1752531.4003736663
16690183.928462088
4209336.7460284745
3212974.2340183887
0.0
862.5734
3.96
3.96
0
21
17472049.521733847
203828550.70656735
8335570.900707816
26608528.14275989
48122364.53030708
390675974.1180798
203.1389
0.79
0.79
0
65
20628181.28121776
23892200.00249266
18428673.82907089
22827688.733364616
14990454.008410951
34574295.19539071
180.1493
0.84
0.84
0
23
8858603.71146009
4617954.726050005
17717207.42292018
0.0
8466250.331091678
0.0
1083.6808
5.53
5.53
0
48
40903830.147838525
31099365.425188173
47693757.28951687
34113903.00616018
30291828.01819248
32068410.313583005
237.1344
0.43
0.43
0
100
89288554.51862502
10104217.501186
3805111.661080136
174771997.3761699
18522250.539651453
2577.8550274558465
326.2481
4.71
4.71
0
21
89710778.24795975
93873131.47836198
99099937.74110033
80321618.75481917
101184236.3333989
85099805.65231767
184.9855
8.4
8.4
0
145
Asperlactone
CC1C(O1)C2=CC(OC2=O)C(C)O
InChI=1S/C9H12O4/c1-4(10)7-3-6(9(11)13-7)8-5(2)12-8/h3-5,7-8,10H,1-2H3
79659.03830892498
2691600.2086366857
159318.07661784996
0.0
4934600.38250059
0.0
453.3434
1.57
1.57
0
123
2027239.6200855991
2296843.77367284
1858796.444642528
2195682.7955286703
1223378.507946608
3585002.092544317
335.1362
2.06
2.06
0
440
2640930.5908666565
1151901.3310871625
1657792.0921705188
3624069.0895627937
2111819.106993132
0.0
202.1224
1.93
1.93
0
21
31904944.11768496
39790478.7201611
21776732.90551584
42033155.32985407
26022070.860941246
56312568.15122495
366.236
1.5
1.5
0
24
32522653.00224605
21301310.0791862
63976689.76041848
1068616.244073606
39047274.29726299
6153.017494049569
651.3955
4.89
4.89
0
28
Rha-Rha-C10-C10 (M+H)
15221722.419096043
2224074.48978256
4521324.090554544
25922120.747637544
4077469.897934693
0.0
322.1188
2.8
2.8
0
132
9035838.529760716
13032069.644987106
7725559.503061847
10346117.556459583
6318697.518659924
21088116.19657972
313.2487
2.97
2.97
0
116
1240196.8655086437
12027222.999624798
24134.106903453005
2456259.624113834
1533662.2193050582
24619495.936008487
267.1599
1.09
1.09
0
142
3318004.333595605
3051144.986926356
3551712.4846829902
3084296.1825082195
3101944.818021094
2990185.18961267
668.6192
6.7
6.7
0
91
2326624.516365858
5529996.836267095
2122473.9110592306
2530775.121672485
9648745.850243634
587498.0194952535
388.2538
1.34
1.34
0
42
histidine_tetradecanoyl chloride
CCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
InChI=1S/C20H35N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)23-18(20(25)26)14-17-15-21-16-22-17/h15-16,18H,2-14H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t18-/m0/s1
22672003.66318807
12721498.017565662
45344007.32637614
0.0
23322746.365537047
0.0
1087.7102
5.79
5.79
0
48
10233526.399672376
10530107.122666284
10026393.900976343
10440658.898368409
5960991.662749573
16013045.67456634
349.1754
1.54
1.54
0
190
4739870.749779194
4726365.119669966
4077172.544569633
5402568.954988754
1689984.1631569029
8370022.267485643
495.2575
1.94
1.94
0
24
19880693.287586223
10829695.113835724
39595266.4291228
166120.14604965074
19853395.22294109
1254.982909283712
710.4682
5.76
5.76
0
28
9837291.866915544
7025677.056425709
19459092.86396641
215490.86986468048
12871435.953516567
10766.379916682356
520.3485
4.95
4.95
0
28
2508917.473892881
1090945.4590534682
5017834.947785762
0.0
2000066.6749313583
0.0
1078.7247
5.53
5.53
0
28
80191204.90993701
148853251.2824111
33291321.41324414
127091088.40662988
28690893.654386345
293048080.4360408
491.2863
1.56
1.56
0
16
325831.84301003854
1330762.6197704664
471401.6809591504
180262.00506092657
2344544.229167405
114224.68849413932
352.3213
5.63
5.63
0
448
4039709.687609345
22221378.526758578
0.0
8079419.37521869
0.0
48887032.75886887
519.3863
0.39
0.39
0
14
110011796.1613565
99326752.508109
217904199.79193485
2119392.5307781505
182058210.44618928
49002.98241263455
494.3328
4.58
4.58
0
28
28189498.39286003
13446545.73424039
56378996.78572006
0.0
24652000.51277405
0.0
659.8042
0.78
0.78
0
245
8800177.345537728
810835.1232935305
2143676.550560984
15456678.14051447
1486531.0593714726
0.0
262.1712
3.51
3.51
0
21
26734235.86173107
25420915.03478409
27732609.905725893
25735861.81773625
26899994.88188992
23646019.218257107
312.943
8.44
8.44
0
227
2732970.611990245
4142795.100350749
1218628.91823662
4247312.30574387
836505.248463932
8110342.922614929
489.3652
1.84
1.84
0
16
Spectral Match to Leu-Leu from NIST14
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
62574079.45625209
5654959.554478953
3064043.0045401365
122084115.90796404
10362526.245179309
5879.525638528308
328.2631
5.15
5.15
0
21
747209.2962134554
1533896.6833374274
224038.95374337884
1270379.638683532
1435109.8737653133
1652440.8548239633
176.1059
6.8
6.8
0
278
11653188.365289388
12971670.606416138
10764846.841440486
12541529.889138289
13302542.806009276
12574623.966904376
394.3531
5.71
5.71
0
42
9205125.659153976
8551491.753694855
9383312.060429065
9026939.257878892
6381652.802128966
11155298.49557392
242.1495
0.39
0.39
0
372
14169517.138662254
107065257.22233206
8823710.233188413
19515324.044136096
51021616.31629115
174317626.3095812
241.1156
0.46
0.46
0
24
34368975.49801252
39303564.04201731
25792686.85207947
42945264.14394558
16255819.095253397
66960857.978134
424.2076
1.42
1.42
0
403
6669592.275535104
8174166.45670094
6801759.136871118
6537425.414199091
3880923.891073787
13326057.535453524
297.2173
2.25
2.25
0
116
10961431.054700112
12593012.19232685
8493997.058068065
13428865.05133216
4813672.989502179
21928219.23571645
332.2184
1.86
1.86
0
210
Spectral Match to Thr-Val-Leu from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
InChI=1S/C15H29N3O5/c1-7(2)6-10(15(22)23)17-14(21)12(8(3)4)18-13(20)11(16)9(5)19/h7-12,19H,6,16H2,1-5H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10+,11+,12+/m1/s1
48199241.0347115
53417468.23571902
28031729.725413367
68366752.34400962
38827196.3776729
70925794.46537435
245.0952
0.71
0.71
0
257
7779624.278432882
17196837.483078126
972388.36570689
14586860.191158874
2642315.069425531
34662264.379461244
458.1923
1.11
1.11
0
265
6902472.823253511
3327472.6391471145
13804945.64650702
0.0
6100366.505103043
0.0
1379.8282
5.48
5.48
0
48
4611465.581879071
10329823.775130317
2944460.8211160023
6278470.34264214
2601305.8252246543
19604045.31501711
376.1872
1.85
1.85
0
344
26692087.06624497
32132104.93641938
23890915.895145457
29493258.23734449
16649211.297836876
50711577.30271839
449.2393
1.2
1.2
0
16
5193164.254836394
5295894.824978646
5263333.351593426
5122995.158079361
5340535.492076572
5242326.024461135
178.1226
8.39
8.39
0
122
65206856.105747975
59646927.43114296
65119380.11835987
65294332.09313607
43010023.90428526
79611211.6633722
227.1389
1.08
1.08
0
171
119655133.04154618
35613663.91518647
122951328.17191648
116358937.91117588
65291717.17784187
0.0
269.0557
2.06
2.06
0
7
24851152.806081165
24374665.20949797
24517756.72542088
25184548.88674146
16299352.721405178
34065040.19520931
285.2172
1.76
1.76
0
16
310893495.28411955
103305023.1725462
582518880.9724368
39268109.595802285
189029197.10325992
436014.4556896688
327.0624
2.94
2.94
0
243
8415828.18731851
4301371.439621015
16693249.755040726
138406.6195962963
7885847.639305193
0.0
385.2944
5.22
5.22
0
28
27259728.91346841
26185092.69176969
27584119.213419024
26935338.613517776
17094586.81279828
37093699.746535376
259.1651
1.27
1.27
0
131
Lys-C7:0
CCCCCCC(NC(CCCCN)C(O)=O)=O
InChI=1S/C13H26N2O3/c1-2-3-4-5-9-12(16)15-11(13(17)18)8-6-7-10-14/h11H,2-10,14H2,1H3,(H,15,16)(H,17,18)
25048685.354292125
13966646.014902083
44362713.77031783
5734656.93826642
25208823.08639744
476033.5291076656
419.0055
2.94
2.94
0
233
29067445.21710297
10995582.291990204
58134890.43420594
0.0
20158567.535315376
0.0
659.3122
0.72
0.72
0
245
14139544.47085612
14534806.737477072
14729537.19269128
13549551.749020962
8273103.005162422
22048851.216254644
402.2234
2.27
2.27
0
50
1921275.0901291
947275.3506030492
3836470.879440041
6079.300818158888
1736671.4761055904
0.0
525.3044
4.95
4.95
0
48
16039903.734149516
7295822.75979323
18119463.123802543
13960344.344496494
6705657.54370749
8004021.019096118
404.2285
3.8
3.8
0
78
59661553.754931904
25769639.6884397
64127194.64928613
55195912.86057768
25231900.026677947
26414927.28255381
406.2439
3.84
3.84
0
78
121987923.66292532
101543772.32994084
241064370.3844795
2911476.941371156
185967807.934356
234929.60464264583
536.3799
5.48
5.48
0
28
162954961.15880737
211097531.12267712
107802774.27215376
218107148.04546097
101377968.95721243
342761005.72123486
326.2072
1.18
1.18
0
111
4596716.407376139
4686985.645567681
1696725.9601022971
7496706.854649981
2788412.4530302268
6965273.476612625
364.3421
5.46
5.46
0
42
1460198.4103560282
774100.46593447
2919632.47039974
764.350312316837
1419184.1875465282
0.0
574.3951
5.89
5.89
0
28
40515125.99578982
345677322.1756464
7560887.793436322
73469364.19814332
70556934.84038763
675821786.977957
233.1494
0.44
0.44
0
16
Spectral Match to Ile-Thr from NIST14
nan
nan
27293070.03153059
27321660.88856366
28360683.772170126
26225456.29089105
21652522.59696032
34124626.83848766
182.0811
0.67
0.67
0
26
15249140.379634025
25883755.11289706
1445760.1584145513
29052520.600853503
5514780.305473718
50326524.88180506
705.453
1.56
1.56
0
24
38362066.842384815
173723550.7907541
23788542.67509842
52935591.00967121
55365535.804644175
315753168.77408606
246.181
0.27
0.27
0
14
Spectral Match to Lys-Val from NIST14
nan
nan
32956241.179400027
28384327.76278677
33006665.7378979
32905816.620902155
25760305.54034461
31533154.429717343
253.1521
1.52
1.52
0
24
3310291.860965503
800119.7973952058
6620583.721931006
0.0
1466886.295224544
0.0
1370.8397
5.22
5.22
0
28
7491715.350841814
2066352.4145078647
5561713.310709767
9421717.39097386
3761416.612982677
32275.376338092134
286.1799
2.83
2.83
0
82
15458775.394531133
15914268.574764736
16587422.873610385
14330127.91545188
17265277.334240694
14293058.063393584
314.9435
8.42
8.42
0
227
37792103.13570001
38191196.6945365
36675521.66473918
38908684.60666084
23198172.518624
56182825.705631495
259.1652
1.74
1.74
0
56
6240917.582118384
2329815.1572846365
12481835.164236767
0.0
4271327.788355167
0.0
671.3613
1.8
1.8
0
355
4447279.933093302
4001843.7065714775
2730757.0811362965
6163802.7850503065
1487772.3835847052
7018729.294155603
558.3299
1.91
1.91
0
49
6957741.973730076
13034071.41446109
6604467.040558279
7311016.906901873
15237116.328805655
10390417.517247612
251.1852
1.78
1.78
0
290
0.0
2048862.205586024
0.0
0.0
0.0
4507496.852289253
232.1627
0.79
0.79
0
466
514254.07194772107
1222885.5972759745
548878.8992781957
479629.24461724656
1630811.102561176
733374.9909337324
326.2538
2.16
2.16
0
290
2002134.3302321653
1192586.246410631
3959676.638495373
44592.021968958165
2185621.922864558
943.4346659179332
402.3215
5.53
5.53
0
28
2957455.161674308
23611199.82961646
37735.43806196793
5877174.885286649
3537627.622514373
47699486.47813897
445.3013
0.92
0.92
0
16
13463521.34922216
13685173.019431256
13694508.962309672
13232533.736134646
7976654.128052425
20535395.68908585
345.2017
1.98
1.98
0
442
42271504.42687411
53022654.36119063
32968939.390927803
51574069.46282041
21078783.500940967
91355299.39349024
491.2864
1.46
1.46
0
16
1431521.5432449123
1603047.1456292009
1442437.1168211456
1420605.9696686792
1587810.1602389198
1621331.528097537
194.1177
9.0
9.0
0
122
13848158.707165008
7597912.980444517
27540376.48492613
155940.92940388006
13916794.21761565
15255.495839155328
576.4128
6.09
6.09
0
28
284506439.9349518
244435477.1005441
288535083.4210545
280477796.4488491
220110163.2378001
273625853.7358368
197.1284
1.14
1.14
0
35
cyclo(L-Val-L-Pro)
CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
5130464.463477249
4824228.274461955
5383662.2264143545
4877266.700540144
4927729.74196778
4700026.513454964
371.3269
4.08
4.08
0
173
Massbank: Myristamidopropyl betaine|carboxymethyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)=O
1S/C21H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-20(24)22-17-15-18-23(2,3)19-21(25)26/h4-19H2,1-3H3,(H-,22,24,25,26)/p+1
201353802.0794462
607034995.0230289
18881319.7434794
383826284.41541296
132569691.32041012
1176393359.466171
318.2022
1.25
1.25
0
166
2337800.8475642484
451132.17363453866
1164418.0151338407
3511183.679994656
827075.6516633207
0.0
258.1489
1.87
1.87
0
21
24258770.428243224
23746767.15988301
25659151.19585513
22858389.660631325
24893942.40692379
22370156.86343408
496.4209
6.03
6.03
0
42
109760550.20945726
71739612.39637643
110507096.66109484
109014003.75781973
72346902.49559154
71010864.27731831
257.1494
1.48
1.48
0
155
90738.16454093585
7740015.993133914
0.0
181476.3290818717
218559.6393902043
16765763.617626363
441.2231
2.13
2.13
0
8
53204253.10045511
42735098.50326804
105310895.06444316
1097611.136467032
78308124.13652112
47467.74336434853
553.3354
5.53
5.53
0
48
73734817.07653217
122091820.5873116
14964580.933151014
132505053.21991336
38721590.87664019
222136096.24011737
253.118
0.91
0.91
0
87
Spectral Match to Ser-Phe from NIST14
nan
nan
12119323.27550022
7755430.249785742
24060277.63372895
178368.9172714963
14218288.791273857
0.0
564.4106
6.05
6.05
0
28
9044389.881325595
11538363.398489816
8064139.852613952
10024639.910037242
9535992.1336334
13941208.916317524
197.1285
8.89
8.89
0
68
cyclo(L-Val-L-Pro)
CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
3024180.351805488
5190770.900968652
1520229.4650256736
4528131.238585303
5841868.138017897
4409454.216509557
149.0823
7.12
7.12
0
112
Vinconate
CCN1CCc2c3C1CC=C(C(=O)OC)n3c1ccccc21
"InChI=1S/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3"
964928.212701525
2239194.8689531297
1658386.2174964296
271470.2079066198
4011000.3514997647
113028.2898971681
338.3418
6.91
6.91
0
448
Spectral Match to 13-Docosenamide, (Z)- from NIST14
CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)N
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
575309853.9197811
144808127.63061643
714888303.4222517
435731404.4173105
264845789.8681519
762932.9455738032
258.1487
3.08
3.08
0
21
5495459789.258833
2171032186.403085
6339435639.101005
4651483939.416661
3960122407.367739
24123921.245500397
225.0659
2.65
2.65
0
7
23124120.88178416
19912297.52861395
20559658.906259384
25688582.857308928
13402571.528977985
27723968.72817711
281.1606
0.54
0.54
0
60
7566122.131621375
4508081.8198858695
14893428.671074398
238815.59216834963
8252074.105975516
15291.07657829416
171.138
4.89
4.89
0
28
10-Hydroxydecanoic acid CollisionEnergy:102040
O=C(O)CCCCCCCCCO
"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)"
4480852.861583008
4406777.933838009
4109216.746182459
4852488.976983557
6324539.843061858
2105463.6427693903
166.1089
7.4
7.4
0
114
66810618.6109193
60042970.44838096
74347286.65709125
59273950.56474737
45454434.99940119
77549212.98715667
217.1546
1.2
1.2
0
16
Spectral Match to Val-Val from NIST14
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
2908196.629534386
2290433.724622851
3176568.824184209
2639824.4348845626
2287084.170286345
2294453.1898266585
303.1314
1.18
1.18
0
441
15226822.079564083
2440675.94071305
1104485.7938126086
29349158.36531556
4308623.800665739
199138.508769823
139.0502
0.27
0.27
0
7
UROCANATE
OC(=O)\\C=C\\C1=CNC=N1
"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+"
2549786.285490125
1693796.8132395616
5051752.608716126
47819.96226412433
3105294.1576058627
0.0
369.2993
5.79
5.79
0
28
894478152.560522
3670554281.605313
61028499.945967376
1727927805.1750765
851985904.8145614
7052836333.754214
263.139
1.06
1.06
0
16
Spectral Match to Pro-Phe from NIST14
C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
14415970.59022726
3636476.877908477
10549552.944733867
18282388.235720657
6579591.826585203
104738.93949640587
260.1645
2.39
2.39
0
3
6789466.730764989
11083960.47887262
6886981.854328938
6691951.607201043
4434773.613727811
19062984.717046387
398.2052
1.8
1.8
0
24
4792057.06789944
832851.5685133223
5553074.846486673
4031039.289312209
1526894.542274424
0.0
545.3376
3.1
3.1
0
3
3157597.7981825005
13800046.309561197
188204.3936909
6126991.202674101
574771.0965357743
29670376.565191697
685.4859
1.63
1.63
0
73
3167359.047370954
628315.9929034637
5861053.486854091
473664.6078878163
1151912.6536563502
0.0
540.1229
4.99
4.99
0
189
7742959.708897293
21113746.527519096
8044.8759959629615
15477874.54179862
946104.7483820592
45314916.662483536
758.4066
1.98
1.98
0
347
11507389.192820566
7823261.981690991
14819347.449723035
8195430.935918095
11492866.86932034
3419736.1165357763
342.8475
0.23
0.23
0
284
349051336.3872616
109469832.26900075
695350637.1662449
2752035.6082783933
200694692.49316803
0.0
667.3093
0.72
0.72
0
514
49230094.22627889
21911506.99795622
97797600.325204
662588.1273537617
40162684.922724746
10093.488233990682
724.4846
6.05
6.05
0
28
13058051.452043416
3386174.994382125
11374730.112183807
14741372.791903028
6207987.489700562
0.0
245.1491
1.64
1.64
0
35
cyclo(L-Phe-D-Pro)
nan
nan
176438.6567575178
16351110.485944863
0.0
352877.3135150356
2060.618020532216
35969970.32745406
657.397
2.09
2.09
0
49
150481817.3377091
138361937.17890605
149660198.65272918
151303436.02268898
107651706.3639555
175214214.1568467
256.1765
0.66
0.66
0
40
22616576.560715467
21442920.162505
23806805.52828016
21426347.59315077
22739266.98571575
19887303.97465209
540.4472
6.02
6.02
0
42
17043.15483713948
2990098.5675699306
27579.51803615988
6506.791638119076
5481847.373878207
0.0
391.2304
2.71
2.71
0
36
Hexa-methoxymethyl-melamine
COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC
InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3
7258326.269875474
3403797.989345969
14485584.614447448
31067.92530349932
6240296.313800943
0.0
373.2939
5.17
5.17
0
28
197717.95102995588
3203568.211064805
331968.3951478868
63467.50691202496
5873208.386952142
0.0
340.2593
1.32
1.32
0
123
29723043.264570583
2665663.010603353
5905320.0131647885
53540766.51597638
4645629.696905961
289702.98704022245
289.1993
4.28
4.28
0
21
16764297.26632718
16452414.191861512
17114616.001259986
16413978.531394368
11385413.83479398
22532814.62034256
255.1701
1.24
1.24
0
116
2977632.922030741
6213637.380773165
2533436.132002061
3421829.712059421
3420087.552938188
9565897.174175138
295.1633
2.09
2.09
0
24
644513.7979413554
2314301.724910893
35367.24349356731
1253660.3523891435
191334.9830301864
4861861.815167742
350.2074
2.09
2.09
0
199
1462153.8980666343
1440353.16225586
1656194.4890812694
1268113.3070519995
1535221.3613830127
1326511.323303277
122.5474
3.13
3.13
0
241
6442756.358459592
6797427.141711238
6119157.697433636
6766355.019485547
3614836.797302788
10616535.555001378
299.1599
2.05
2.05
0
263
196026.82982242908
91572847.21007794
392053.6596448581
0.0
8002674.50067886
191857054.4613568
451.266
1.01
1.01
0
415
16260302.439403944
16021032.260573018
2251208.1716493336
30269396.70715855
7476188.267256518
26274845.05255282
279.1008
0.42
0.42
0
352
2054351.5701603456
23269998.17948028
4602.101206050847
4104101.039114641
675610.6174686261
50383263.25389427
407.265
0.92
0.92
0
156
3544036.286261141
2763366.85362312
4126871.064962711
2961201.507559569
3319151.458949247
2096425.327231769
167.1543
8.35
8.35
0
157
4683401.000489543
4533464.142972468
5571278.858664038
3795523.14231505
5599587.819612461
3254115.731004477
364.342
6.1
6.1
0
42
8128699.96402716
4950217.888318357
15900363.48185076
357036.4462035599
9068098.286151662
8761.41091838956
341.2685
4.89
4.89
0
28
26367324.2019106
37674655.394887134
22016428.14435936
30718220.259461824
20852052.72040835
57861778.60426168
229.1181
0.47
0.47
0
46
9002013.545310525
9046308.138880664
9109745.75073604
8894281.339885017
5338175.486729718
13496067.321461797
381.2133
1.58
1.58
0
295
17998977.20680534
13362133.055806516
35197011.6058834
800942.8077272889
24470056.50078048
32624.92183775549
153.1272
5.19
5.19
0
28
10-HYDROXYDECANOATE
C(CCCCC(=O)O)CCCCO
"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)"
4947681.202654918
1992284.489860689
9316696.329566112
578666.0757437249
3652521.564744597
0.0
369.0321
3.18
3.18
0
41
6155641.190432974
5723942.443637267
4844697.20576568
7466585.17510027
5235630.817717726
6309916.394740716
608.3852
1.76
1.76
0
42
7386947.86432641
10404545.287645314
4971756.21206146
9802139.51659136
13006118.8198322
7282657.049021052
167.0929
7.21
7.21
0
157
2432749.804209923
19552155.587302443
53669.33472771803
4811830.273692127
2867855.7207134706
39573315.42720921
527.2857
1.09
1.09
0
352
442125595.40346295
320487261.61551684
874732579.722868
9518611.08405803
586627706.5959735
1118727.6389689085
550.3952
5.79
5.79
0
28
7703565.899454307
1298971.8376512176
11622993.309878193
3784138.489030425
2381448.3690272323
0.0
598.5313
3.74
3.74
0
319
54304220.68381516
47392954.81605432
58331685.86251706
50276755.50511325
41844257.677807935
54051391.381949976
229.0992
1.27
1.27
0
202
5668364.66944484
10588798.331931047
581135.1531201346
10755594.185769545
1704166.337305667
21250356.725481503
527.2834
1.81
1.81
0
24
329706.3180786253
255153.3120610732
0.0
659412.6361572506
0.0
561337.286534361
304.1888
0.94
0.94
0
40
4768793.536542008
38971353.32029795
2122451.6133499187
7415135.459734096
8342644.755455799
75725803.59810853
193.1315
0.57
0.57
0
17
3947844.0898114345
10699807.080648672
2816719.6008374603
5078968.578785409
3129677.7193192304
19783962.314244
334.175
0.96
0.96
0
111
676115.4296248012
3171.4867225372104
0.0
1352230.8592496023
5814.392324651552
0.0
575.1387
2.74
2.74
0
189
16567196.70825336
3359084.971089153
24724247.80593723
8410145.610569498
6158322.446996781
0.0
284.1648
3.53
3.53
0
388
12863333.854663722
18298156.998247083
10842628.308619512
14884039.400707936
14924734.62314803
22346263.848365963
211.1441
8.91
8.91
0
35
Massbank:PR311142 Cyclo(leucylprolyl)
O=C1NC(C(=O)N2CCCC12)CC(C)C
1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
6098937.75260101
4208328.333586771
11972456.053605163
225419.45159685545
7715268.611575746
0.0
458.1019
0.31
0.31
0
383
8590507.42106876
4938506.105943575
11070409.23052103
6110605.611616489
7519311.803041163
1841539.2694264688
216.9226
0.24
0.24
0
196
2444484.3095939644
40360626.97528515
141184.88503766063
4747783.734150268
1234418.282027075
87312077.40719485
201.1471
1.3
1.3
0
214
Spectral Match to Leu-Leu-Arg from NIST14
nan
nan
1166572.953453908
11432841.866569312
0.0
2333145.906907816
438260.9064412421
24626339.018723
685.4099
1.44
1.44
0
24
3054441.153797651
916235.823144965
699663.2549622528
5409219.05263305
1323961.4389503056
426965.08417855593
224.1268
3.83
3.83
0
422
101865496.80728328
102473100.29763432
101045862.00739406
102685131.60717247
104276618.90518077
100308877.9685786
199.9879
8.53
8.53
0
145
241223005.00722548
214144698.15999547
230506108.27099827
251939901.74345264
165976410.34427977
271946643.5388543
304.1763
0.88
0.88
0
40
479380792.4610798
1061886733.8422164
105701321.03047591
853060263.8916836
252466243.74260363
2033191321.961752
260.1967
0.43
0.43
0
14
Spectral Match to Lys-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI=1S/C12H25N3O3/c1-8(2)7-10(12(17)18)15-11(16)9(14)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1
14351919.597683951
20007192.64857054
2466994.488438728
26236844.706929177
6289780.024216262
36468087.79779567
313.1214
1.02
1.02
0
181
48224993.22443122
20453282.11743464
87303729.5929028
9146256.855959617
37405666.78644041
110420.51462770012
347.0494
2.94
2.94
0
220
2303318.60881058
95917366.43031952
1477700.0900747962
3128937.127546363
16546880.114455258
191161950.00935668
417.2451
0.69
0.69
0
415
7628144.950697563
8817427.224239722
7561985.020703471
7694304.880691654
9383837.029447405
8137735.457990503
158.154
3.12
3.12
0
230
46200107.56981193
34017225.23567187
45720203.859601535
46680011.28002232
30711610.836200874
37983962.51503705
247.1286
0.88
0.88
0
337
9500695.73886764
4174666.3081845953
18718816.41841551
282575.0593197651
7653554.898338425
0.0
437.2368
0.9
0.9
0
24
4669569.131346608
4862517.319330894
4258889.949034814
5080248.313658401
5302244.207466272
4334845.053568442
644.4952
5.33
5.33
0
42
12110095.773687644
7042020.0352040585
24097561.08402212
122630.46335316436
12910370.064540774
0.0
687.3917
5.17
5.17
0
48
1017008.2662435868
260382.29511118616
2030809.1927797524
3207.3397074214045
477367.5410371746
0.0
752.5156
6.58
6.58
0
28
2954294.738456265
2693558.7989500407
3955833.130786365
1952756.346126166
3236577.805526907
2041935.991057802
610.1842
7.94
7.94
0
279
Contaminants septum vial Thermo C4000-53 and C4000-54 serie
36253695.54112957
38053096.943986304
37938988.72430391
34568402.357955225
24183691.741431866
54696383.18705163
289.1544
1.38
1.38
0
116
29271206.15938027
39490359.93055072
11148152.432556646
47394259.88620389
22394254.89728141
60005685.9704739
338.2045
1.14
1.14
0
24
8784592.822013445
5579834.102982876
12336564.016421825
5232621.627605063
9425574.992615616
964945.035423588
415.2119
3.93
3.93
0
170
SDZ-MKS-492
COCCn1c(NC(CO)c2cc(OC)c(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C
"InChI=1S/C20H27N5O6/c1-23-17-16(18(27)24(2)20(23)28)25(8-9-29-3)19(22-17)21-13(11-26)12-6-7-14(30-4)15(10-12)31-5/h6-7,10,13,26H,8-9,11H2,1-5H3,(H,21,22)"
8052262.100253393
13002476.336893035
690024.1899673273
15414500.010539455
2600639.993119473
25484679.94942131
687.4078
1.37
1.37
0
49
25831975.90048928
251702968.1715364
1197696.4612699847
50466255.339708574
48115428.20007055
496008016.1372954
247.1108
0.59
0.59
0
16
109523120.9860528
57255528.32299051
125903003.30792557
93143238.66418009
104968468.59214926
0.0
160.0757
1.11
1.11
0
21
4583078.671446859
4858189.971406856
4511010.346920769
4655146.995972949
5218867.622509064
4425376.790084207
163.039
2.53
2.53
0
23
Massbank:LU019403 4-Methylphthalic anhydride|5-methyl-2-benzofuran-1,3-dione
CC1=CC2=C(C=C1)C(=O)OC2=O
1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3
25344361.638396803
43377970.96974191
26026894.775200803
24661828.501592804
15601306.625459626
76709968.18288067
295.1868
1.28
1.28
0
421
34473983.438294016
35203405.61353324
36677105.54400543
32270861.332582608
37676346.42466078
32235876.64018018
186.981
8.4
8.4
0
145
27821706.436011508
26861734.993932925
25620256.174069423
30023156.697953597
18427059.541972112
36983345.5362859
227.1389
0.57
0.57
0
424
897575.477448783
36875026.97350395
33084.26111510149
1762066.6937824646
3113783.639673814
77388518.97410011
507.3179
1.34
1.34
0
16
50023328.303477794
101144383.11398806
10941145.126354814
89105511.48060077
22156428.211985704
195929928.99639088
361.2441
0.69
0.69
0
29
5371573.173125288
31574973.954531904
7209295.172030413
3533851.174220163
10872707.559362125
56417693.62873562
175.1189
0.54
0.54
0
104
Spectral Match to L-Arginine from NIST14
C(C[C@@H](C(=O)O)N)CN=C(N)N
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
29917196.791136067
35620875.4075557
1121653.7664567467
58712739.81581539
12736690.214137817
63081897.63965716
279.1371
0.48
0.48
0
30
18526635.60452265
11126668.179908782
36615880.1032689
437391.1057764068
20398136.28853321
906.4495594605308
699.391
5.22
5.22
0
48
Rhamnolipid Rha-Rha-C10-C12:1
nan
nan
2423368.060189748
2798547.602832316
2396526.004026948
2450210.1163525474
1475704.465143453
4385959.368058952
200.1647
2.72
2.72
0
145
6811077.71235225
6626224.270293877
6852372.209145404
6769783.215559094
4151589.445168343
9595786.06044452
321.1807
1.64
1.64
0
116
189775227.46724355
27858396.268423136
11493929.713468818
368056525.2210183
51017468.92136383
67509.08489431013
300.2324
4.5
4.5
0
21
7745958.049004746
4775679.069803922
15282273.680387815
209642.41762167387
8755411.627973856
0.0
373.2947
5.47
5.47
0
28
57966685.96543821
20214455.468376424
107324987.50024128
8608384.430635164
37059835.02535678
0.0
192.0653
1.99
1.99
0
62
2287115.5235228594
2255679.593545665
2161712.263044779
2412518.78400094
1253644.2772337657
3458121.9731199443
478.2548
2.97
2.97
0
50
51390721.2760615
67250814.26362772
33072448.096079644
69708994.45604335
19677625.630665123
124338640.62318286
342.2385
1.95
1.95
0
111
Spectral Match to Ile-Pro-Ile from NIST14
nan
nan
15626523.872015413
4225899.191202006
14525791.600110956
16727256.143919872
7672294.984041034
90224.23979517196
204.102
1.89
1.89
0
21
4200339.218663982
3940698.65015737
4827135.284986244
3573543.1523417183
2554770.346581304
5603812.61444865
321.1808
2.38
2.38
0
56
10333052.09772203
33888823.18811829
16452801.82080997
4213302.374634089
7898742.897948235
65076919.53632233
218.1388
1.46
1.46
0
214
5399877.623406999
5245747.276886451
5607644.331280534
5192110.915533463
2973416.0975181703
7972544.692128388
305.1609
2.32
2.32
0
295
8401593.564721515
7095375.954536862
10850689.011165095
5952498.118277934
7880587.917590219
6153121.598872839
202.1086
8.28
8.28
0
280
10710112.032624494
30077854.324552704
2512463.0824374347
18907760.98281155
7257619.875478799
57462135.66344138
290.1707
0.55
0.55
0
77
6016351.119324118
876040.1496564191
90177.2914859403
11942524.947162297
1606073.6077034352
0.0
441.1868
0.7
0.7
0
222
21373500.639446568
23027349.617268022
21105875.29162151
21641125.98727163
24097028.03887688
21743735.511337392
438.3793
5.71
5.71
0
42
Falintolol
CC(=NOCC(O)CNC(C)(C)C)C1CC1
"InChI=1S/C12H24N2O2/c1-9(10-5-6-10)14-16-8-11(15)7-13-12(2,3)4/h10-11,13,15H,5-8H2,1-4H3/b14-9+"
30380707.619556103
19493024.72523669
29493414.983087987
31268000.25602421
12373538.784675822
28036407.85390974
305.1749
4.46
4.46
0
141
390491529.6157398
387536384.7962506
394434047.1052465
386549012.1262331
398556945.8230512
374311711.56409
182.9853
8.54
8.54
0
422
pimelic acid CollisionEnergy:205060
O=C(O)CCCCCC(=O)O
"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)"
26935610.43375644
3223478.321173145
7930025.622185348
45941195.24532753
5647713.798460326
314395.748428528
274.1802
3.89
3.89
0
33
44920234.13299641
44020023.19917223
42959793.94064161
46880674.3253512
25188983.25107831
66617271.13688494
299.2327
2.06
2.06
0
263
2244502.2883658228
1463287.4467646806
2324470.079299393
2164534.497432253
1072755.4862936265
1931925.7993299465
275.128
3.71
3.71
0
141
391858422.64570254
837256544.3537542
70090476.49329013
713626368.7981149
150289069.11290416
1661617514.642774
295.165
1.16
1.16
0
16
Spectral Match to Tyr-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1
13099134.920324048
5433706.894237065
12333316.306735337
13864953.533912765
9371805.94384648
707988.0347057699
432.2386
3.51
3.51
0
86
1251955.5801745604
1321398.7870658578
1388043.4967821557
1115867.6635669654
729228.1134890948
2032003.595357973
349.1761
2.47
2.47
0
18
8555510.661262698
22730410.195494223
93813.03841225604
17017208.28411314
2770152.187075779
46682719.80559636
170.6026
0.6
0.6
0
269
5156134.080679924
818041.7117819593
3249705.505304272
7062562.656055577
1499743.1382669257
0.0
510.1123
4.4
4.4
0
189
13739196.268397434
14973572.299100596
13761677.788179511
13716714.748615356
8967798.023228126
22180501.43014757
247.1438
1.99
1.99
0
35
cyclo-(Val-Phe)
3614996.329941558
3431317.4304238064
2741779.4488368235
4488213.211046292
2791208.2426648554
4199448.455734547
652.4119
1.82
1.82
0
42
18921368.638317745
9787028.18268368
32276923.6821413
5565813.59449419
17862218.413966056
96799.90514482708
279.0623
3.18
3.18
0
297
6386.053062843722
1430977.866675224
2228.366222609901
10543.73990307754
40490.48536349706
3099562.724249296
475.208
2.19
2.19
0
8
33031375.542336736
20528399.31678097
50962370.09933856
15100380.98533491
37635398.74743177
0.0
190.1072
0.72
0.72
0
5
butyrylhomoserine
O=C(O)C(NC(CCC)=O)CCO
InChI=1S/C8H15NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)
1389175.2724521467
129282.7792765815
84960.35288940529
2693390.192014888
237018.4286737328
0.0
272.1646
5.38
5.38
0
33
4003402.67162819
3054591.354077077
5483822.8560208
2522982.487235581
4109994.01888784
1788108.156304162
167.0929
7.86
7.86
0
157
22553196.436448906
19452045.02142456
23598048.20536169
21508344.667536117
18875736.944450963
20143614.713792883
158.0924
0.37
0.37
0
22
1865796.8520509596
1299267.201018174
3731593.70410192
0.0
2381989.868533319
0.0
659.3623
4.6
4.6
0
48
13277639.898513502
9992503.64123743
13688464.635837266
12866815.16118973
7936615.972254881
12459568.844016489
476.2824
0.76
0.76
0
69
10136668.996849349
10766572.338302322
10238728.903750649
10034609.089948043
5734419.219169688
16805156.08126148
301.1519
2.0
2.0
0
24
801390.6397106982
466112.2408188332
1259018.9670666857
343762.3123547106
561714.2766571144
351389.7978128956
444.2631
6.07
6.07
0
244
32444284.18617624
29929661.61058172
32808763.452618398
32079804.919734072
22182182.618628
39226636.40092618
170.0423
0.26
0.26
0
174
7371195.505982876
126843.35970777468
11470.16469590286
14730920.84726985
232546.1594642536
0.0
595.4258
4.12
4.12
0
21
7969235.008115732
8703647.693304198
6736275.03725316
9202194.978978304
5042483.284226969
13097044.984196868
449.2731
1.57
1.57
0
24
38163596.01132246
3576484.31881146
2198808.602487195
74128383.42015773
6556887.91782101
0.0
296.201
4.14
4.14
0
21
131336063.55736911
100719762.58130756
256780454.82132173
5891672.293416515
184488456.91914
197329.3759086121
359.2784
5.19
5.19
0
28
Rhamnolipid C10-C10 base lipid no sugar
1952117.6820718823
818825.4997697254
2034613.732544584
1869621.6315991809
758355.3185752876
891389.7172030506
297.1699
4.3
4.3
0
78
211488619.72069964
187709288.51658732
200369085.3629684
222608154.0784309
153608675.38867787
228630024.27007875
231.1127
1.26
1.26
0
492
5470-37-1 CollisionEnergy:102040
CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21
"InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)"
2066157.7295016544
2037374.3121460683
2002946.3611723792
2129369.0978309303
1272811.165703737
2954850.0878768666
364.1545
3.27
3.27
0
172
4261277.9810159085
4425249.963401457
4312493.866270537
4210062.09576128
2276042.8813901204
7004298.461815061
430.255
2.58
2.58
0
50
18064284.02845732
30471958.633528583
1681856.6362131955
34446711.420701444
7467552.201187693
58077246.35233764
347.2285
0.41
0.41
0
29
2599567.284455998
689505.9776352192
3650868.1370256506
1548266.431886345
1264094.2923312353
0.0
283.1074
3.1
3.1
0
242
3060222.017537661
1858929.4620226296
6040284.471782436
80159.56329288635
3408037.347041488
0.0
369.2997
5.48
5.48
0
28
13277727.166215872
28910761.19603525
3903145.976485681
22652308.355946068
4255409.001010633
58497183.8300648
687.5005
1.5
1.5
0
109
842154465.5073172
165508550.67148685
115576891.02697492
1568732039.9876597
302887530.43072283
653774.960403644
272.201
3.83
3.83
0
21
7471037.108818239
5498788.186225023
7870768.352727632
7071305.864908851
4817608.64916467
6316203.630697446
267.1452
1.02
1.02
0
16
Spectral Match to Phe-Thr from NIST14
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N)O
InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1
35617665.269950435
28860494.642514206
69333959.55144179
1901370.9884590963
52884775.547645055
31357.55635719322
505.3362
5.19
5.19
0
28
Rha-C10-C10
6407302.271168538
2913620.413153678
8155698.876168768
4658905.666168309
3065840.3698349283
2730956.4651361806
471.2925
0.54
0.54
0
275
12751279.203887464
11488227.694811292
10723866.674150037
14778691.733624892
8027142.121625255
15641530.382634532
281.1131
1.02
1.02
0
337
ASP-PHE
C1=CC=C(C=C1)C[C@@H](C(=O)O)/N=C(/[C@H](CC(=O)O)N)\\O
"InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1"
9238152.39840252
8218100.088866112
9933191.575897047
8543113.220907995
6471000.363354034
10314619.759480609
291.1701
1.3
1.3
0
16
26267270.82684051
66683820.868202135
2152342.5139294825
50382199.139751546
8247556.947577069
136807337.5729522
394.2335
1.59
1.59
0
20
29313027.532867435
6989191.974296248
54529990.968744665
4096064.0969902095
12737228.011271266
91548.7299262272
224.0376
2.53
2.53
0
193
2987151.984384531
937471.3659538178
2307104.7102907635
3667199.2584782974
1718697.5042486663
0.0
314.2119
3.51
3.51
0
82
161633647.30470806
257340128.3262129
72411747.49490832
250855547.1145078
91319714.80440237
456564624.5523856
329.2262
1.34
1.34
0
476
18412366.28852013
33953559.863418415
2904048.6528754067
33920683.924164854
14041170.68510666
57848426.87739252
372.156
0.94
0.94
0
186
8973060.267604517
4142439.1143793087
17939183.949756294
6936.585452739871
7594471.709695399
0.0
361.2192
0.32
0.32
0
185
43322812.19956263
44327380.82505797
42619155.51903009
44026468.88009517
28539334.58980452
63273036.3073621
213.1598
1.84
1.84
0
35
Spectral Match to Val-Leu from NIST14
nan
nan
7208511.088804807
3009972.2448491678
10703806.67205013
3713215.50555948
4476787.43572745
1249794.0157952278
226.9514
0.24
0.24
0
196
1060186.689427158
4034686.114801782
225043.7465577987
1895329.6322965173
589161.1296641034
8169316.096966997
380.2523
1.85
1.85
0
24
5370106.173537404
135987.7545004228
2035.7358851050003
10738176.611189704
249310.88325077508
0.0
599.4574
4.5
4.5
0
21
444525666.3521622
1221409650.2342274
144677566.4803802
744373766.2239442
378830413.1432055
2232504734.743454
219.1338
0.75
0.75
0
87
Spectral Match to Ser-Leu from NIST14
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N
InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1
234221010.9134457
61590269.78693018
226293324.73471135
242148697.09218016
112715589.40540172
239886.24476433863
232.1333
2.59
2.59
0
21
7404889.953984265
7593589.91416907
8745320.927498443
6064458.98047009
3718807.884842027
12243328.34936152
295.1632
1.79
1.79
0
24
62418278.81054873
22604253.180923555
68901516.37699367
55935041.24410381
37455504.563462526
4782751.52187679
553.3341
1.33
1.33
0
59
19534015.84760726
34579410.264381595
11653657.893780924
27414373.801433597
18512262.67852308
53859987.36741183
311.1233
0.6
0.6
0
87
Spectral Match to .alpha.-L-Glu-L-Tyr from NIST14
C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CCC(=O)O)N)O
InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)
45568427.23461231
6954756.806740704
13317609.05922062
77819245.410004
12750387.47902462
0.0
555.359
3.79
3.79
0
97
56187311.61573368
44000237.00720848
53698554.21576176
58676069.01570559
38711415.24221075
50346823.12520575
199.1076
0.66
0.66
0
202
cyclo-(Thr-Pro)
47119432.35981665
9625167.826102285
84151637.17484757
10087227.54478574
17645107.10000627
1240.697417504806
309.0726
2.48
2.48
0
243
14061575.275754193
68623163.86106521
6106650.29033256
22016500.26117582
24120174.160355344
122026751.50191703
187.1076
0.32
0.32
0
16
14159412.883981796
13630576.406917484
14559727.941165743
13759097.826797849
14602572.56227464
12464181.020488888
196.0169
8.48
8.48
0
276
"1,4-dimethylhydroquinolin-2-one CollisionEnergy:205060"
Cc1cc(=O)n(C)c2ccccc12
"InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3"
615294.1481644879
10555667.11361815
4490.645336791909
1226097.650992184
840530.5421496154
22213830.999380395
612.3598
0.93
0.93
0
77
78974896.33388843
115026278.26791324
28102398.308079828
129847394.35969704
33826810.44045179
212465639.6608669
314.2071
1.06
1.06
0
111
202176.0219210975
12639787.74564489
0.0
404352.043842195
993920.77722653
26614828.10774692
345.2244
0.29
0.29
0
17
4126522.751854312
4635935.363140408
4153053.0993350334
4099992.40437359
2279054.4872810766
7464192.414171606
355.1654
1.85
1.85
0
116
8165688.995983439
3165008.496127893
13924936.083219672
2406441.908747207
5755942.264405366
55887.97419492772
423.985
2.94
2.94
0
233
194241333.3191562
891635106.042102
12106296.899514304
376376369.7387981
143457227.4201165
1789448560.3884845
265.1545
1.14
1.14
0
16
H-VAL-PHE-OH
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
56683583.35871821
30068496.825491443
57425749.94634085
55941416.77109557
36852867.59838087
21927251.898024134
295.176
0.62
0.62
0
60
36079464.10130293
34735753.99386705
30339344.91751025
41819583.28509562
23101387.81106844
48696993.41322539
277.1183
1.53
1.53
0
87
Spectral Match to PyroGlu-Phe from NIST14
nan
nan
7157173.509206083
3947948.883646402
14222702.11395625
91644.9044559158
7237906.286685072
0.0
293.123
5.48
5.48
0
37
17576197.1773274
18716030.945346307
8192649.289326825
26959745.065327976
10476179.631903322
28603852.52147789
245.1493
0.44
0.44
0
424
2884109.037218411
2328216.610409697
3944652.8799529593
1823565.1944838625
2938330.201072937
1596080.30161381
189.1136
7.86
7.86
0
112
83633860.01346542
82538072.7437122
82461352.31195152
84806367.71497932
51967344.41057545
119222946.74347632
265.1546
1.62
1.62
0
16
H-VAL-PHE-OH
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
22170880.984397832
18400770.769031048
9593727.81189217
34748034.15690349
7360287.329287115
31649350.89672377
457.3017
1.23
1.23
0
16
11035389.922801996
12874709.662239833
8504006.010977956
13566773.83462604
4828852.39642192
22529738.38122133
332.2184
1.86
1.86
0
210
Spectral Match to Thr-Val-Leu from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)N)O
InChI=1S/C15H29N3O5/c1-7(2)6-10(15(22)23)17-14(21)12(8(3)4)18-13(20)11(16)9(5)19/h7-12,19H,6,16H2,1-5H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10+,11+,12+/m1/s1
9284844.609757574
9035230.451873263
9528854.929998036
9040834.289517106
5723629.988402035
13009151.008038731
297.1267
1.69
1.69
0
16
Spectral Match to Phe-Met from NIST14
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
1031.9894440532582
3641852.882117132
0.0
2063.9788881065165
0.0
8012076.340657691
805.483
2.12
2.12
0
24
80179877.51285441
10175323.46853795
14788598.167738795
145571156.85797003
18652488.889125425
2724.9638329780514
382.3105
5.85
5.85
0
21
1768739.5258844318
1794729.1572104692
1868485.2893226764
1668993.7624461874
966344.2635139708
2788791.029646268
450.2237
2.5
2.5
0
50
47442960.34550416
18187814.327693563
91164392.7362002
3721527.954808087
32902351.59452565
530369.607495046
206.0272
2.86
2.86
0
21
7364901.175974498
37460423.22863146
0.0
14729802.351948995
2702891.2968952
79169461.54671498
657.3788
1.25
1.25
0
24
17539863.501422275
50580594.091789626
1530385.552591536
33549341.45025302
23036607.596332088
83633377.88633868
285.1207
1.06
1.06
0
24
6649498.664441686
4429663.935392277
13298997.328883372
0.0
8121050.548219175
0.0
533.3678
5.79
5.79
0
28
101903568.39275928
25571504.014511418
83286332.37657104
120520804.40894756
46881090.69327093
0.0
162.055
1.61
1.61
0
62
4-hydroxy-2-quinolone CollisionEnergy:205060
C1=CC=C2C(=C1)C(=O)C=C(N2)O
"InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)"
10389645.381855335
44252282.18743004
40930.14184335429
20738360.62186732
2473193.7515506754
94387188.31048527
180.1362
0.99
0.99
0
381
Spectral Match to Val-Ile-Lys from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C(C)C)N
InChI=1S/C17H34N4O4/c1-5-11(4)14(21-15(22)13(19)10(2)3)16(23)20-12(17(24)25)8-6-7-9-18/h10-14H,5-9,18-19H2,1-4H3,(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-,14-/m0/s1
13074314.250752926
10517106.07180716
15821295.888309576
10327332.613196278
11164283.370786758
9740493.31303164
153.1135
8.28
8.28
0
211
0.0
139603272.87781912
0.0
0.0
0.0
307127200.3312021
322.187
0.42
0.42
0
17
Spectral Match to Phe-Arg from NIST14
nan
nan
3269978.3945854474
44312151.2781687
2854450.3454543464
3685506.443716548
21729094.35619618
71411819.58453573
239.1365
0.65
0.65
0
24
2568438.874680139
2308519.4993429426
1718448.8694694035
3418428.8798908745
658478.5043993414
4288568.693275264
392.2161
2.09
2.09
0
24
14481744.419548854
11378341.04061906
17518293.075421732
11445195.763675973
16598319.280862063
5114367.152327452
320.8653
0.23
0.23
0
284
12868959.472505895
4554682.610985864
13740502.864656596
11997416.080355188
4066020.7998512182
5141076.784347437
374.254
4.29
4.29
0
-1
2372505.2035301398
704970.6799974708
4713587.353540128
31423.05352015004
1292446.2466620298
0.0
594.277
1.67
1.67
0
-1
8508863.062436977
6084147.877085691
12408468.5032456
4609257.621628352
8394805.023544773
3311359.3013347923
251.1004
0.73
0.73
0
-1
3417520.668114487
1556365.6029891826
3468916.766864388
3366124.569364585
1518894.245900347
1601331.2314957853
169.1224
3.37
3.37
0
-1
7902568.398688552
6232906.990555194
7982791.550080869
7822345.247296236
5335332.873016435
7309995.931601708
300.1552
1.22
1.22
0
-1
21924194.403809942
15218028.44244088
22416480.982126057
21431907.82549383
12167047.034255125
18879206.132263787
438.2022
1.21
1.21
0
-1
5367952.375098031
3425354.610206001
7409440.801543963
3326463.9486520984
3316694.9821068137
3555746.163925024
214.1184
0.54
0.54
0
-1
169045664.35055462
48659182.893779725
178400129.9221273
159691198.7789819
89208501.97192949
0.0
443.1475
0.84
0.84
0
-1
7883152.525731351
2669313.848092277
15766305.051462702
0.0
4893742.054835842
0.0
527.1982
0.63
0.63
0
-1
17148538.65857927
11362466.530129768
23909230.02864869
10387847.288509851
14530530.675842494
7560789.555274496
225.0663
2.29
2.29
0
-1
2694564.846927527
57827664.15025106
156326.86638395503
5232802.827471099
1564795.1068576726
125343107.00232312
412.223
1.94
1.94
0
-1
2327469.007832203
1763335.2440502762
2079630.2585227431
2575307.757141663
1221138.871997901
2413970.8905131267
519.3082
7.46
7.46
0
-1
69727716.60171513
51604067.07315359
67648371.59466375
71807061.60876651
44780326.72142232
59792555.49523109
366.2134
0.69
0.69
0
-1
20823721.21338629
17983607.032417774
24931278.19490353
16716164.231869036
13013025.921617938
23948304.365377583
288.1914
1.23
1.23
0
-1
1067371.5767693738
237347.69931216657
1929699.7358714216
205043.4176673256
406627.8781242264
34211.484737694656
329.0035
3.02
3.02
0
-1
4357781.67984061
4606268.427764253
4418322.68799775
4297240.671683471
2381727.522248566
7275717.514383078
459.2246
1.9
1.9
0
-1
14032033.106064634
14577366.016539795
13534564.999025077
14529501.213104196
14157831.654171074
15080807.251382262
207.0175
8.41
8.41
0
-1
71573406.6587466
5444227.389412374
14472040.774563542
128674772.54292966
9981083.547256015
0.0
487.3321
3.13
3.13
0
-1
3219522.1319515626
16004542.121805867
592913.6666067846
5846130.597296339
948508.925518995
34071781.95735011
591.2841
1.32
1.32
0
-1
7334674.344901484
2958461.5374082974
14530133.332063807
139215.35773916336
5423846.151915212
0.0
460.2771
0.62
0.62
0
-1
5945715.512271772
7075005.1920643
5563664.74547476
6327766.279068784
5317869.043176035
9183568.570730217
267.172
4.49
4.49
0
-1
Spectral Match to Tributyl phosphate from NIST14
CCCCOP(=O)(OCCCC)OCCCC
InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
12457843.67571129
14775402.800402991
1866079.293886556
23049608.057536025
8803489.881585931
21941698.30298347
147.044
0.4
0.4
0
-1
11811731.699775629
3093972.8635891373
20174276.42083122
3449186.978720033
5671428.647383248
1025.9230362040912
270.1486
3.12
3.12
0
-1
1475407.7839060307
1682019.2837615854
1439407.9266475162
1511407.641164545
870034.6368626029
2656400.860040365
315.1916
2.71
2.71
0
-1
2109534.2810012926
416276.97266663617
1984691.647291569
2234376.914711016
763174.4498888329
0.0
302.1753
2.58
2.58
0
-1
23668179.653724205
22779103.184486598
30752859.95176464
16583499.355683774
14142058.991701538
33143556.215828657
335.1714
1.06
1.06
0
-1
447239.9236720188
735108.4522325457
447889.71556803206
446590.13177600544
307273.55481288844
1248510.3291361344
333.2175
3.11
3.11
0
-1
4579410.80408997
3734096.667935716
4497179.683989932
4661641.924190006
3011351.516237863
4601390.8499731375
286.1877
1.24
1.24
0
-1
5952608.927807716
2177875.633613557
7028448.71991557
4876769.135699865
3992771.994958188
0.0
160.1332
1.58
1.58
0
-1
3465107.381994993
677234.6550856374
1846971.7050138516
5083243.058976135
1221386.4856455412
24252.458413752734
184.0753
3.76
3.76
0
-1
7701710.466209058
3867187.284951418
6272273.463030734
9131147.46938738
6575109.07003197
617681.1428547567
197.0708
2.61
2.61
0
-1
1-hydroxyphenazine
2218409.143884446
3344775.149217592
2127047.16829179
2309771.119477102
1133307.447884095
5998536.390817788
424.2058
2.26
2.26
0
-1
4778206.208261645
1333286.963684781
5789019.925334969
3767392.4911883217
2444359.4334220984
0.0
337.1886
3.62
3.62
0
-1
41969760.37061632
31847418.331850663
44439044.90699356
39500475.83423907
27669201.57453746
36861278.44062652
454.3022
0.6
0.6
0
-1
0.0
14455431.232675482
0.0
0.0
2772696.1047182004
28474713.38622422
455.2821
0.65
0.65
0
-1
5148017.051926784
2565661.391180073
4915900.365355164
5380133.738498405
2353349.7083923845
2820435.4105253
507.2811
2.06
2.06
0
-1
5042389.8282834375
3756035.216540426
4734941.073195347
5349838.58337153
2598083.2477302183
5145577.579112676
615.2806
1.0
1.0
0
-1
2088876.9850155092
2111254.2430699435
721384.3170036655
3456369.653027354
1188763.6635975393
3218242.938436829
408.3683
5.46
5.46
0
-1
1558455.3751388502
193968.28371878935
79526.17457388896
3037384.575703812
355608.52015111386
0.0
314.2481
4.83
4.83
0
-1
19321972.50005047
13494830.086107362
17947615.490119096
20696329.509981845
10295927.522609288
17333513.162305053
390.1865
0.69
0.69
0
-1
3850732.006784532
2431959.7077126754
3598881.0022319923
4102583.011337073
2587801.100556683
2244950.0362998666
240.1341
1.0
1.0
0
-1
881766.82016864
3996207.233839064
862410.6781422235
901122.9621950564
6450506.293475877
1051048.3622748891
244.1908
2.8
2.8
0
-1
glycine_undecanoyl chloride
CCCCCCCCCCC(=O)NCC(=O)O
InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
1166991.0979411032
9222716.174183356
0.0
2333982.1958822063
324892.0204145556
19900105.15870592
384.1575
1.43
1.43
0
-1
18110888.61338561
7753102.679941096
20590929.99377012
15630847.233001111
14097717.949939458
139564.35594306135
310.1777
3.96
3.96
0
-1
5268000.426008341
1799141.315858131
10339217.653639875
196783.19837680948
3298425.745739907
0.0
390.1981
0.56
0.56
0
-1
6729.973720066475
4669868.737592844
0.0
13459.94744013295
0.0
10273711.222704258
625.3006
1.64
1.64
0
-1
1288626.3445407618
1680373.994577842
1394309.6031668324
1182943.0859146914
1915407.274773978
1398334.0583424785
448.2909
5.39
5.39
0
-1
15236755.685067708
16970429.950310502
13615749.45894695
16857761.911188465
8000754.086191651
27734040.98725312
590.3553
1.32
1.32
0
-1
155786827.5903354
136405534.81669146
168519358.2565979
143054296.92407295
156060686.02244136
112819353.36979152
142.948
0.22
0.22
0
-1
11308717.487525456
3635868.0878004776
12057800.359954547
10559634.615096366
6617263.028730628
58194.15868429765
560.2927
1.19
1.19
0
-1
27110092.740692437
24069812.13662497
27105041.44155209
27115144.039832767
14840466.942594752
35145026.36946124
477.2378
1.12
1.12
0
-1
2948224.015204175
3749851.01424108
111886.57744895596
5784561.452959393
1263024.842746348
6734042.420034761
289.116
0.66
0.66
0
-1
3806269.4878201
1138313.253222163
5534224.648107181
2078314.32753302
1963520.7218702575
148064.29084444948
140.0818
0.25
0.25
0
-1
27999787.40641621
13970655.722901942
54488482.15590248
1511092.6569299593
25612868.82532023
0.0
202.1549
0.31
0.31
0
-1
176751.58473580555
11145669.28684213
0.0
353503.1694716111
235642.08552516132
24237701.92842249
555.2822
1.53
1.53
0
-1
8431120.542995231
7805322.287093872
8137483.596552155
8724757.489438308
5410135.435904066
10679546.508521635
260.1426
0.59
0.59
0
-1
2225531.1889858823
624350.5241330602
1799197.3440349214
2651865.0339368437
1144642.6275772771
0.0
288.1957
2.7
2.7
0
-1
1910879.5000971667
269575.6638866652
527483.2859400256
3294275.714254308
470534.3322519317
28425.26184834534
288.1962
3.58
3.58
0
-1
20896288.460133582
47866065.26345993
2146008.176513895
39646568.74375327
6205100.092619031
97859223.46846902
185.042
0.25
0.25
0
-1
6720586.180809765
1510608.4811344463
10242227.39005241
3198944.9715671167
2769448.882079818
0.0
196.7445
3.74
3.74
0
-1
11933754.188485762
24124313.05046455
5376113.017318144
18491395.35965338
7494836.160829059
44079685.31802714
251.1059
0.56
0.56
0
-1
Spectral Match to Thr-Met from NIST14
C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N)O
InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
3170750.85716839
0.0
31821.480434734305
6309680.2339020455
0.0
0.0
831.3913
3.51
3.51
0
-1
6920219.080358514
6442785.974947983
7349965.196319252
6490472.964397777
5114534.78370362
8036687.404441218
217.097
1.16
1.16
0
-1
14712695.627245769
14901981.91749865
10735788.96442744
18689602.290064096
10996568.27645023
19588478.28675675
166.0532
0.26
0.26
0
-1
L-methionine sulfoxide
CS(=O)CCC(C(=O)O)N
1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
8090550.794580379
3020826.5401621354
10499619.969750268
5681481.619410489
5034964.369527302
603861.1449239348
437.1936
4.12
4.12
0
-1
21120402.31367406
16319014.145185135
25700313.322474945
16540491.304873176
17779244.66003986
14566737.52735946
163.0978
8.3
8.3
0
-1
348622-88-8
NC(=O)c1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
"InChI=1S/C15H24N4O4/c16-13(21)14-17-15(23-19-14)11(9-12(20)18-22)8-4-7-10-5-2-1-3-6-10/h10-11,22H,1-9H2,(H2,16,21)(H,18,20)/t11-/m1/s1"
11539402.292227628
12298809.241485331
11537518.265002487
11541286.319452768
7539729.762338645
18009704.61646136
227.1753
2.23
2.23
0
-1
cyclo-(Leu-Leu)
8868825.169764409
7854604.113567624
9153976.067094734
8583674.272434084
5475064.199972742
10710052.009881483
273.1808
1.76
1.76
0
-1
1209149.50065967
950722.562662268
1246598.8424298873
1171700.1588894527
1096121.9498699545
776243.2980130446
146.1539
8.36
8.36
0
-1
76989.58294459358
9958462.161067978
0.0
153979.16588918716
597103.7243241834
21192092.28516053
475.2902
1.34
1.34
0
-1
22360298.026850663
54259572.14274448
3346913.015095336
41373683.038606
19915795.92720761
95472103.6013887
291.1424
0.32
0.32
0
-1
12134047.478021584
10413247.893562376
12535289.463325769
11732805.49271739
8676283.226426646
12497605.494125253
281.0741
0.38
0.38
0
-1
6969952.193393328
1467688.8249482198
6642661.989464227
7297242.397322431
2690762.845738403
0.0
274.1435
2.07
2.07
0
-1
6264891.229515798
5430435.289294145
6743007.239412253
5786775.219619344
3822377.471423404
7360104.670739035
243.1702
1.57
1.57
0
-1
22351816.646956053
22386861.049210925
22099961.299841277
22603671.99407083
13880040.196687536
32595046.07223899
301.1757
1.1
1.1
0
-1
2911904.2337937863
8278214.58606916
0.0
5823808.4675875725
352979.21091365867
17788497.036255762
280.1942
0.9
0.9
0
-1
12039112.515358396
11908179.488521308
11713091.322641991
12365133.708074795
7277641.392174643
17464825.204137303
326.2073
1.45
1.45
0
-1
3028046.057307992
541588.5173013249
6056092.114615984
0.0
992912.2817190957
0.0
466.1534
2.88
2.88
0
-1
7098969.974992839
4450147.760847009
9290606.905861516
4907333.044124163
5199152.058333488
3551342.603863233
332.2181
0.66
0.66
0
-1
5437656.893879701
5462731.865586085
5612536.845249155
5262776.942510247
3018978.174671436
8395236.294683661
549.3031
1.7
1.7
0
-1
939140.5014625156
746531.8698562172
873839.1972838485
1004441.8056411826
437295.3449742557
1117615.699714571
329.1364
3.71
3.71
0
-1
18489131.199257303
9192688.703925582
19219277.501185022
17758984.897329573
9870638.874097236
8379148.49971959
332.2068
3.35
3.35
0
-1
0.0
3757941.3229078543
0.0
0.0
0.0
8267470.910397279
686.3983
1.77
1.77
0
-1
3326693.241849516
3192655.2142813536
3387202.1618522727
3266184.321846757
3363681.3900276977
2987423.803385741
422.3844
5.71
5.71
0
-1
355713.5356904566
11449647.830236591
0.0
711427.0713809133
0.0
25189225.226520505
657.2913
1.31
1.31
0
-1
1297808.548008654
152262.27376157936
739270.9989002087
1856346.097117099
210495.8563202516
82381.97469117263
324.132
2.49
2.49
0
-1
13541987.857468111
5222191.861919091
15142829.645972596
11941146.068963626
9515192.604124786
70590.97127225657
575.3166
1.33
1.33
0
-1
2357981.51256819
2322695.837500276
4620356.690920328
95606.33421605268
4258275.702083839
0.0
630.3145
5.8
5.8
0
-1
899525.2842399469
185530.13426451583
1799050.568479894
0.0
340138.57948494575
0.0
221.038
2.91
2.91
0
-1
35759469.98905761
37829209.3446024
727533.6275707483
70791406.35054447
23100762.71242254
55503345.303218246
219.0264
0.25
0.25
0
-1
26852938.474228334
30176383.689587686
23252700.600695197
30453176.34776148
25217632.67128159
36126884.91155499
338.1682
0.77
0.77
0
-1
5065502.422748997
11567006.085920371
651128.8717290526
9479875.973768944
2985401.947900131
21864931.05154466
290.1707
0.69
0.69
0
-1
868167.6093490476
1262110.5332362691
890373.4715269984
845961.7471710971
576121.3986411487
2085297.4947504136
319.2019
2.79
2.79
0
-1
13119855.735926272
17745031.400715806
727222.5270573461
25512488.944795195
2133719.108005761
36478606.15196786
631.439
1.14
1.14
0
-1
3780768.5338167897
673835.3259222289
3593112.942347873
3968424.1252857056
1212520.4271631956
27413.20443306842
431.1969
2.01
2.01
0
-1
2880060.8175806534
1238409.978158431
2712540.4967482565
3047581.138413049
1082138.6191213422
1425935.6090029366
351.178
4.29
4.29
0
-1
9229868.78054106
21931714.095466927
3611339.035691399
14848398.525390724
4331488.601590259
43051984.688118935
426.202
1.39
1.39
0
-1
8479947.765265234
6074430.39742364
9017556.588370502
7942338.942159963
6297249.785893542
5807047.131259757
200.1028
0.43
0.43
0
-1
36318233.32583665
120162183.456681
17151073.400440205
55485393.2512331
48518156.90400361
206135015.31989387
241.1156
0.73
0.73
0
-1
1714751.207195401
1914390.4680923696
1696762.0431876185
1732740.3712031834
1009860.2319402308
2999826.7514749365
393.2021
2.87
2.87
0
-1
11507885.932371102
10189032.603973707
11422085.440622956
11593686.424119247
10449833.96741557
9876070.967843477
156.9907
8.42
8.42
0
-1
1969521.7139404856
584050.108220103
3825296.459990815
113746.96789015549
1070758.5317368554
0.0
771.4068
3.18
3.18
0
-1
1100747.1649987383
293057.1688561903
2199136.5214520223
2357.80854545414
537271.476236349
0.0
387.3655
7.44
7.44
0
-1
244778.2955049225
17793038.815746848
0.0
489556.591009845
2921132.6063334267
35639326.26704295
481.299
0.92
0.92
0
-1
2339706.371252078
555524.3527062183
4679412.742504156
0.0
1018461.3132947334
0.0
443.1478
2.23
2.23
0
-1
6040574.529997987
1381639.8053313757
3846445.375286909
8234703.684709067
2529165.0407836256
4609.522788675683
292.1545
3.47
3.47
0
-1
20701423.173340533
8785916.960673787
37290758.839919865
4112087.506761205
16107514.42790194
0.0
291.0431
0.7
0.7
0
-1
572672.8783910666
1061287.2928897694
452484.301482501
692861.4552996323
335246.9968763688
1932535.6481058504
331.1651
2.62
2.62
0
-1
7886278.471460217
9257551.186512291
7409449.218967374
8363107.723953062
4531532.80499566
14928773.244332254
326.1704
1.96
1.96
0
-1
990765.3139658796
1096022.483167015
1854184.9797403447
127345.64819141466
1974462.643853051
41894.290343771936
553.3901
7.47
7.47
0
-1
8177745.835749205
4309941.969928012
14923918.4730239
1431573.198474508
7575755.830578496
390965.3371474294
387.2236
1.14
1.14
0
-1
0.0
17093823.9570718
0.0
0.0
5137648.91471449
31441234.007900573
451.2518
0.51
0.51
0
-1
816872.4974547183
143600.34067783412
1461140.7736460462
172604.2212633907
263267.2912426959
0.0
265.9856
2.59
2.59
0
-1
10259506.454663817
6173283.630675754
10435464.679811245
10083548.229516383
5256592.814314378
7273312.610309405
530.2967
2.02
2.02
0
-1
39384497.0448788
22225134.166446146
38577840.0391163
40191154.05064128
20204312.2452612
24650120.471868075
323.1469
3.7
3.7
0
-1
1459915.8225489927
1154255.5215883194
2919831.6450979854
0.0
2116135.122911919
0.0
1109.6916
5.79
5.79
0
-1
556222.2193704887
19151909.0364921
0.0
1112444.438740977
244045.3540785775
41841345.45538832
523.2765
0.98
0.98
0
-1
660246.5587817983
462010.9536464448
697160.4147300505
623332.7028335463
309332.93593217595
645224.5749035676
336.1806
3.04
3.04
0
-1
7847253.955961133
6828752.498783937
8199599.279788126
7494908.63213414
6562596.131954358
7148140.13897943
249.0843
0.75
0.75
0
-1
Spectral Match to Val-Met from NIST14
CC(C)C(C(=O)NC(CCSC)C(=O)O)N
InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
11931290.644353554
9792422.372055002
12782651.239215951
11079930.049491154
10674852.37579444
8733506.36756768
201.2325
8.36
8.36
0
-1
1201053.5172742398
826361.0721790218
1623139.208699864
778967.8258486157
822976.3831782737
830422.6989799197
536.1654
7.63
7.63
0
-1
Contaminants septum vial Thermo C4000-53 and C4000-54 serie
1966209.706887884
680554.4461853015
3932419.413775767
0.0
1247683.1513397193
0.0
514.1105
2.86
2.86
0
-1
1781256.4587638404
311800.42091337114
3559816.3289739303
2696.588553750148
571634.105007847
0.0
583.2552
3.56
3.56
0
-1
3034890.042353574
1237632.0599074524
6065584.394831539
4195.689875609452
2268992.1098303297
0.0
926.9495
1.75
1.75
0
-1
1348762.4171847207
2491468.857566674
943680.8232089244
1753844.011160517
802442.0439141616
4518301.033949689
339.1917
2.8
2.8
0
-1
8428087.242858293
4905606.083321839
13807969.313303204
3048205.1724133813
8256070.647698547
885048.6060697883
184.058
0.35
0.35
0
-1
47157433.99203787
2040156908.0017543
10639508.313113756
83675359.67096199
163738646.88987714
4291858821.336008
279.1701
1.54
1.54
0
-1
1434636.823713023
29863393.011432
342536.18505653634
2526737.462369509
2904616.8852637247
62213924.36283393
509.3331
1.53
1.53
0
-1
6229862.759507488
9112092.980777867
636405.1077495242
11823320.41126545
1732670.597195565
17967399.84107663
407.2285
0.62
0.62
0
-1
5806892.151177364
3456291.1703194287
3731041.6729832855
7882742.629371442
2823037.350841099
4216195.753693423
363.1929
2.47
2.47
0
-1
12752149.87814858
3015257.707513621
14213047.561569069
11291252.1947281
5527972.4637749735
0.0
178.0499
1.66
1.66
0
-1
2057000.1087547604
293171.4190377484
41811.18533676481
4072189.032172756
537480.9349025387
0.0
292.1677
3.79
3.79
0
-1
3030612.9041486364
642894.8195886445
5154608.016483664
906617.7918136084
1178640.5025791817
0.0
361.9656
2.59
2.59
0
-1
3560692.3508044514
5091115.913365212
3314403.85902534
3806980.8425835622
3754516.769805596
6695034.885636752
236.1645
1.79
1.79
0
-1
174515.46840847074
8012606.920207133
0.0
349030.9368169415
117139.01712415436
17487168.403906707
562.2904
1.62
1.62
0
-1
564387.2492910796
930438.274492728
1128774.4985821592
0.0
1705803.5032366682
0.0
394.2012
4.1
4.1
0
-1
2626999.670737326
770947.9256398559
5090523.211312695
163476.13016195747
1413404.5303397365
0.0
146.9431
3.18
3.18
0
-1
26118893.962211605
8545415.083781086
49268841.75887405
2968946.165549156
15659709.214862814
8262.126483009357
147.8598
2.94
2.94
0
-1
848758.5326114129
299107.37782646023
1697517.065222826
0.0
548363.526015177
0.0
470.2082
4.02
4.02
0
-1
30681373.554474995
16246716.55743228
58076859.41178136
3285887.6971686366
29756448.80120777
35037.864901692315
152.0706
1.21
1.21
0
-1
Massbank:EA024310 Paracetamol|Acetaminophen|N-(4-hydroxyphenyl)acetamide
CC(=O)NC1=CC=C(O)C=C1
1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
36671.45280784133
7520468.16539399
73342.90561568266
0.0
4197536.604176127
11507986.038855424
197.1007
0.24
0.24
0
-1
1907912.526956327
2294613.531725201
1929750.3857768984
1886074.6681357557
1448991.5774239972
3309359.876886645
181.1335
2.33
2.33
0
-1
8108353.150014274
9320898.519539664
7516771.975436904
8699934.324591644
4469954.164605182
15142031.745461045
273.1809
2.14
2.14
0
-1
Glutamine_C8:0
CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChI=1S/C13H24N2O4/c1-2-3-4-5-6-7-12(17)15-10(13(18)19)8-9-11(14)16/h10H,2-9H2,1H3,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
892484.3622332463
11134937.404966744
0.0
1784968.724466493
1519226.999204798
22673789.89188108
551.2839
1.09
1.09
0
-1
5747347.783868249
16302915.823683793
3603620.009748684
7891075.557987812
3136556.218470968
32102547.34993918
334.1766
1.32
1.32
0
-1
34103905.386079945
55444109.070241086
17717956.41963612
50489854.3525238
33629336.82922634
81621835.75945877
259.0923
0.35
0.35
0
-1
19471884.18306884
18111695.817571625
15857289.715848967
23086478.650288712
11742472.247813778
25754764.10128104
356.2178
1.95
1.95
0
-1
712079.7864179219
663067.1062728037
1326142.943305867
98016.6295299766
1215623.028166807
0.0
291.1703
3.7
3.7
0
-1
2732694.142029079
1743750.6945614622
2933796.659936473
2531591.624121684
1358876.0356047845
2205600.285309476
352.2122
3.71
3.71
0
-1
242329692.21753505
78606316.47364229
231195988.003801
253463396.43126905
144111580.20167753
0.0
176.0706
1.32
1.32
0
-1
3564719.562275709
48608986.37971583
2069162.812645672
5060276.311905746
11441900.458292684
93209489.4854236
221.0953
0.45
0.45
0
-1
7391153.618520189
3347331.882536785
10407084.737309584
4375222.499730796
6136775.117984106
0.0
295.1111
1.15
1.15
0
-1
Spectral Match to Ile-Tyr from NIST14
nan
nan
3389238.317480471
3614968.853670685
3563939.8727529137
3214536.7622080278
2065255.324936184
5474625.088152086
330.2025
1.84
1.84
0
-1
44782873.27235738
53326028.33174083
8367539.521698993
81198207.02301578
35423598.02721644
74808944.6971701
136.0756
0.4
0.4
0
-1
Spectral Match to DL-Octopamine from NIST14
C1=CC(=CC=C1[C@H](CN)O)O
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
6795502.260235
103837269.60497956
542657.6426234593
13048346.877846535
5224390.28788928
222172724.78548795
392.2547
2.11
2.11
0
-1
9778948.265621562
14942672.203753823
987960.5157717896
18569936.01547133
6323925.263225506
25285168.5323878
303.0562
0.35
0.35
0
-1
6607061.609103388
2484278.758628217
7702738.494128562
5511384.724078216
4554511.057485065
0.0
422.3261
2.65
2.65
0
-1
31853377.028296392
49453201.43714647
8257794.74757529
55448959.30901749
14603920.450208826
91272338.62147164
336.1582
0.75
0.75
0
-1
3534042.8076657318
1395623.0412888112
7060571.92143529
7513.693896173497
2558642.2423628205
0.0
385.1482
0.91
0.91
0
-1
22581488.004173417
5641748.518553436
40752298.54060005
4410677.467746776
10331541.932266535
13996.422097716935
307.0208
3.02
3.02
0
-1
HPTzTn-COOH
4300886.487547305
1464994.503500401
8601772.97509461
0.0
2685823.2564174016
0.0
587.267
1.23
1.23
0
-1
3028436.116989571
2742489.5966401566
2278240.577369846
3778631.6566092954
2398270.477808466
3155552.539238184
357.2362
1.88
1.88
0
-1
21949081.910431176
31544274.696311284
4865497.787812936
39032666.03304941
13104473.478514886
53672036.15766697
317.147
1.16
1.16
0
-1
8458284.019298058
9020072.242098575
4749163.031095303
12167405.007500812
4951291.381417557
13902609.2749158
346.197
1.04
1.04
0
-1
3180163.7613847298
4529382.457958869
6248291.969441608
112035.55332785196
8303867.83959126
0.0
1053.628
5.19
5.19
0
-1
2134988.6695774645
288878.01797470363
2881811.179927341
1388166.159227587
529609.6996202901
0.0
323.0518
2.45
2.45
0
-1
5062769.38171792
2400258.96400056
5537735.316491098
4587803.446944744
4400474.76733436
0.0
186.0913
1.57
1.57
0
-1
14733797.41910653
15298806.787245007
10961488.452029904
18506106.38618316
6762204.958345753
25542728.98192412
195.1231
0.37
0.37
0
-1
Spectral Match to Ile-Glu-Lys from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI=1S/C17H32N4O6/c1-3-10(2)14(19)16(25)20-11(7-8-13(22)23)15(24)21-12(17(26)27)6-4-5-9-18/h10-12,14H,3-9,18-19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10-,11-,12-,14-/m0/s1
17178907.621911805
10418500.706671858
22932961.665824603
11424853.57799901
14698187.1634314
5282876.958560406
269.1087
0.46
0.46
0
-1
Spectral Match to His-Ile from NIST14
CCC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N
InChI=1S/C12H20N4O3/c1-3-7(2)10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
589221.4197805222
745604.4220227976
607286.5635321159
571156.2760289287
317489.2237245156
1259342.6599807362
331.205
2.88
2.88
0
-1
13943452.2541221
13071227.473043725
15449328.520656526
12437575.987587668
8539939.75472519
18508772.73502596
263.6651
1.07
1.07
0
-1
19445081.48142404
7375247.372751865
37872521.67293414
1017641.2899139356
13521286.850045089
0.0
508.2744
1.01
1.01
0
-1
2711059.187481051
4556756.841588178
2277064.349828336
3145054.0251337662
4193594.9935692847
4992551.059210846
354.2849
4.09
4.09
0
-1
12531102.45850405
6056666.166861231
24354199.578092124
708005.3389159678
11103887.972578922
0.0
679.7822
0.77
0.77
0
-1
13149123.52487377
11415261.470917769
12736801.075444477
13561445.97430306
7174390.161543169
16504307.042167287
491.25
1.54
1.54
0
-1
20586945.215349704
63749490.78191672
438066.56389610056
40735823.86680331
2773509.7420667955
136920668.0297366
589.3227
1.16
1.16
0
-1
23673764.12606646
40812046.18884971
11269137.72097054
36078390.53116238
23008758.974776942
62175990.84573702
475.2398
0.97
0.97
0
-1
28702693.22584867
10180260.99481207
33236082.629069157
24169303.8226282
10023045.626353046
10368919.4369629
446.275
4.14
4.14
0
-1
19402930.22889153
7728587.611370344
25893413.62872455
12912446.829058511
14169077.287512297
0.0
251.0772
0.74
0.74
0
-1
3363874.7786916853
3756742.9033724554
3805720.330504445
2922029.226878928
3145338.4221336967
4490428.280858962
365.2778
3.47
3.47
0
-1
56212636.81465217
46975886.73671656
61623485.92396035
50801787.705344
36545572.52936341
59492263.78554036
392.2177
1.27
1.27
0
-1
2774251.7728968123
28638537.306420743
0.0
5548503.545793625
7824306.549132169
53615614.21516703
479.2831
0.84
0.84
0
-1
9308711.388124594
6040500.923157274
12659421.532008735
5958001.244240451
9959859.099935493
1337271.1110234098
437.1937
3.93
3.93
0
-1
3208905.4855256085
3330952.325944254
3208538.344156968
3209272.62689425
1790258.2449654818
5179785.223118781
376.1871
2.14
2.14
0
-1
2874133.7285022163
1157243.7203172704
5676271.416059245
71996.04094518766
2121613.487248329
0.0
505.7327
1.22
1.22
0
-1
8037775.283315138
3860672.881857765
8439638.116094554
7635912.450535722
4110722.316401288
3560613.560405537
300.1666
0.45
0.45
0
-1
11102768.72526632
7214681.64523665
14639845.471862474
7565691.978670168
9401685.159046486
4590277.4286648445
257.1007
0.39
0.39
0
-1
1249478.1260866316
1998968.1742868584
2498956.252173263
0.0
3664774.9861925743
0.0
364.0961
2.37
2.37
0
-1
186274.22675351004
9601236.867351243
34868.3786913591
337680.074815661
813224.246967401
20146852.01181186
335.1372
1.65
1.65
0
-1
6784402.831865202
6450165.982906479
7458201.141718872
6110604.522011534
4469053.521576528
8827500.936502423
348.2035
1.08
1.08
0
-1
3599847.887463297
19867115.24685438
0.0
7199695.774926594
3852306.9118783176
39084885.24882565
547.2522
1.06
1.06
0
-1
8668667.088834876
2634110.4156096354
10678704.426034875
6658629.751634877
4829202.428617665
0.0
263.0216
2.65
2.65
0
-1
9237963.68979242
53881331.20741863
552197.2594726129
17923730.120112225
9993124.485440688
106547179.27379216
560.4015
1.14
1.14
0
-1
1043943.6811750096
873489.2880204592
1635636.5187307491
452250.8436192705
941943.8217212894
791343.8475794632
1306.2723
2.81
2.81
0
-1
7727627.2872428065
1019417.8368945468
11812488.914597986
3642765.6598876254
1868932.700973336
0.0
531.3224
3.35
3.35
0
-1
2290879.6659452966
528626.2299292166
243204.1423341072
4338555.189556486
967508.2509122425
1967.8047495855456
294.183
3.83
3.83
0
-1
3445392.0143511384
1649247.8699703873
6412010.129258913
478773.89944336255
3023621.0949457097
0.0
245.0742
0.25
0.25
0
-1
29588879.49987628
7169146.180058336
33476523.61174409
25701235.38800847
11884633.250063792
1510561.6960517915
341.3892
4.26
4.26
0
-1
3509493.3441291866
1444060.6337807383
6748281.717332821
270704.97092555446
2647444.495264687
0.0
343.1299
1.38
1.38
0
-1
2671826.732468601
1504713.3582518375
3202446.306019261
2141207.1589179407
1599496.7187814608
1390973.3256162894
329.1359
3.01
3.01
0
-1
2941757.771917276
37796906.05451196
2049344.56564353
3834170.978191022
24000180.683828723
54352976.49933185
237.1211
0.51
0.51
0
-1
7240770.089890032
13252864.953438198
34895.9983672134
14446644.181412848
1778208.4609416593
27022452.744434047
662.8225
1.27
1.27
0
-1
17221035.704081092
26958042.12862122
6525917.82139649
27916153.58676569
7841876.706456605
49897440.635218754
295.1289
1.07
1.07
0
-1
Spectral Match to Glu Phe from METLIN
O=C(O)[C@H](CC1=CC=CC=C1)NC(CC[C@H](N)C(O)=O)=O
InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
17171228.55811606
22186370.18725973
5634442.589617026
28708014.52661509
13589587.94245334
32502508.881027397
301.1168
0.76
0.76
0
-1
1337880.5265507663
3286262.8464099434
986791.6560379564
1688969.3970635768
4300137.432615534
2069613.3429632348
228.1958
3.17
3.17
0
-1
Vitamin E acetate
CC(=O)Oc1c(C)c2c(OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2)c(C)c1C
"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1"
2158184.040746339
620446.3094803406
1012412.3484277033
3303955.733064976
1107116.4088795087
36442.19020133848
266.1509
3.14
3.14
0
-1
8817405.748010198
7135734.012192774
9494305.218428249
8140506.27759215
6850752.358302786
7477711.996860757
181.0971
1.26
1.26
0
-1
8283833.7505892115
3650645.892725744
16157650.98352256
410016.5176558634
6692850.803330532
0.0
497.7498
1.22
1.22
0
-1
1111729.7075650226
895614.052513373
1190483.343824389
1032976.0713056565
516235.6934022757
1350868.0834466894
308.1487
3.05
3.05
0
-1
22370325.44948104
49167352.91357111
8013604.988771568
36727045.9101905
23932032.410736013
79449737.51697321
255.1313
0.75
0.75
0
-1
6575686.543891642
3628306.593431512
9596225.08147096
3555148.0063123256
4520006.6570369
2558266.517105046
248.1369
0.53
0.53
0
-1
34272832.89622285
31318052.95050257
10282719.056686256
58262946.73575944
38494791.14800385
22705967.113501064
204.063
0.41
0.41
0
-1
19449650.30651441
6137971.331268033
37385436.28561375
1513864.3274150705
11252947.44065806
0.0
147.8597
3.18
3.18
0
-1
1922421.654260815
4319913.618786257
364422.6190735502
3480420.68944808
642617.3794994649
8732669.105930407
497.2431
1.79
1.79
0
-1
1226694.1502506789
1239465.6633290006
1209878.2093018002
1243510.0911995575
576712.0716164868
2034769.9733840176
392.2544
2.36
2.36
0
-1
31476566.59395077
6864136.735848292
11877756.003446393
51075377.18445516
12584250.682388537
0.0
348.0702
0.29
0.29
0
-1
Spectral Match to Adenosine 5'-monophosphate from NIST14
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
22773747.956891965
9224966.968106026
45225707.52779559
321788.38598834205
16912439.441527713
0.0
290.1749
3.42
3.42
0
-1
4569701.074622492
2128802.4450274766
8297971.475411758
841430.6738332259
3902804.4825503738
0.0
233.0684
2.23
2.23
0
-1
4360918.162777289
2270150.008330832
4473679.155630015
4248157.169924564
2147298.063071877
2417572.342641576
209.1176
3.68
3.68
0
-1
1076678.91853597
1415679.9870972035
958861.328515877
1194496.5085560628
715938.0310302353
2255370.3343775654
287.1385
3.17
3.17
0
-1
0.0
2643467.9681098927
0.0
0.0
0.0
5815629.529841764
429.2201
1.89
1.89
0
-1
79605790.75142866
55156523.39736256
147398398.5615988
11813182.941258518
63140175.82403934
45576140.485350415
451.2269
0.72
0.72
0
-1
36522800.43802367
38709222.948688656
22952628.55656256
50092972.31948478
17391374.254232697
64290641.38203581
201.1232
0.79
0.79
0
-1
10849963.044704871
36368847.42890213
1489021.2050451431
20210904.8843646
6362304.049631112
72376699.48402736
195.129
0.7
0.7
0
-1
6368372.49677644
5252915.370142916
6740075.105386774
5996669.888166106
4880078.088685426
5700320.107891908
155.0815
0.57
0.57
0
-1
0.0
5651557.981384974
0.0
0.0
0.0
12433427.559046945
592.3819
1.89
1.89
0
-1
3573743.463065525
20607406.920223936
2715656.377421857
4431830.548709192
7042971.083029759
36884729.92485695
225.1214
0.73
0.73
0
-1
18637317.62936795
25173705.497585453
3542831.605944399
33731803.65279151
13437934.023780247
39256631.2661517
154.0838
0.49
0.49
0
-1
405150.4697469935
10511167.76294114
0.0
810300.9394939869
136984.3333630569
22960187.87843484
580.3703
1.13
1.13
0
-1
1816802.4922593115
1523756.0490732295
3633604.984518623
0.0
2793552.7566342545
0.0
515.261
4.58
4.58
0
-1
350170.5697900248
1551785.8357205652
0.0
700341.1395800496
19755.13645569335
3390222.674838412
754.4498
2.22
2.22
0
-1
7209246.140930209
2201282.154759377
13909676.927272676
508815.3545877461
4035683.9503921904
0.0
190.031
3.18
3.18
0
-1
55222384.29932109
55675415.26262138
54429895.03431245
56014873.56432974
37104977.548570216
77959940.51948276
268.1289
1.16
1.16
0
-1
His-C7:0
CCCCCCC(NC(CC1=NC=CN1)C(O)=O)=O
InChI=1S/C13H21N3O3/c1-2-3-4-5-6-12(17)16-10(13(18)19)9-11-14-7-8-15-11/h7-8,10H,2-6,9H2,1H3,(H,14,15)(H,16,17)(H,18,19)
15997485.788043724
5260250.9077324895
20089091.78027019
11905879.795817254
9643793.330842895
0.0
288.0742
2.65
2.65
0
-1
37681054.92832423
11678060.438157909
43841064.06045457
31521045.796193883
21409777.469956167
0.0
190.0862
1.58
1.58
0
-1
Spectral Match to .alpha.-Cyano-4-hydroxycinnamic acid from NIST14
C1=CC(=CC=C1/C=C(\\C#N)/C(=O)O)O
InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+
12424533.110631486
18653825.73164252
10023903.37881514
14825162.842447832
5749200.016893798
34139376.58934099
344.2547
1.86
1.86
0
-1
15560138.02734456
6362723.470962835
16311038.7565223
14809237.29816682
6380214.066300658
6341734.756557445
362.254
3.99
3.99
0
-1
13371281.242904011
4469275.496545864
19761449.9103597
6981112.575448326
8193671.743667417
0.0
194.0788
0.9
0.9
0
-1
6432373.775711752
65781.11264841659
0.0
12864747.551423503
120598.70652209708
0.0
707.5529
5.29
5.29
0
-1
42480872.63742442
17202101.840608597
48358540.45304337
36603204.82180546
17744311.28978482
16551450.501597123
434.2752
3.86
3.86
0
-1
115606065.91118252
133258273.1393298
90176155.72390532
141035976.0984597
63908517.38994759
216477980.03858843
316.1863
0.77
0.77
0
-1
5669704.187438215
588645.2554398751
1588714.7096419854
9750693.665234445
1068294.6275108831
13066.008954665049
275.1837
3.87
3.87
0
-1
2134569.674317404
2099751.8524245466
2206876.5867425115
2062262.7618922968
1259948.876704638
3107515.4232884366
359.1814
2.41
2.41
0
-1
7214987.999526699
30577457.359254178
769795.5640597325
13660180.43499367
2466747.139054393
64310309.623493895
444.2128
1.32
1.32
0
-1
84689063.55656181
69995614.74594338
99406943.6036028
69971183.50952081
54224637.42122734
88920787.53560266
459.26
1.66
1.66
0
-1
4489440.676479612
4366255.537057404
4587271.521503673
4391609.83145555
4351738.37452187
4383676.132100044
158.154
8.38
8.38
0
-1
2252562.713519208
439217.741552459
4448773.968888876
56351.4581495393
805232.5261795082
0.0
339.1016
1.54
1.54
0
-1
23245743.13176307
34872852.73264591
12869216.669560531
33622269.59396561
9872775.666970516
64872945.21145637
366.2139
0.83
0.83
0
-1
23789212.358060177
23154751.262018666
17630114.997009277
29948309.71911108
10038565.032260103
38894174.73772894
472.2764
0.61
0.61
0
-1
2593320.1064468604
2097811.09170055
2958645.7032435774
2227994.509650144
2399205.205671817
1736138.1549350298
144.1384
8.35
8.35
0
-1
1277208.787932966
13498471.297519024
0.0
2554417.5758659323
134790.61267460883
29534888.11933232
571.2764
1.3
1.3
0
-1
19470331.008998312
14986085.714526445
20274906.98391323
18665755.034083392
16616251.614253402
13029886.6348541
186.1124
0.37
0.37
0
-1
1448571.0109028034
1360792.1337522927
1576260.5892298983
1320881.4325757085
754811.2405571224
2087969.2055864967
301.1547
3.47
3.47
0
-1
656492.2616302801
47299775.70139226
0.0
1312984.52326056
12857553.291968562
88630442.59270069
483.315
0.93
0.93
0
-1
2586307.634027133
5893201.86627152
94395.5132830172
5078219.754771248
400486.46138404607
12484460.352136487
687.5009
1.65
1.65
0
-1
56812407.19604386
78293796.14236745
12334763.13820188
101290051.25388582
32037834.432390284
133800950.19434008
366.1691
0.43
0.43
0
-1
1993872.1181043943
1938516.5485846924
2122804.6395421857
1864939.5966666015
1932520.9446614964
1945711.273292528
399.2509
4.82
4.82
0
-1
MassbankEU:SM824402 Tri(butoxyethyl) phosphate|tris(2-butoxyethyl) phosphate
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
10356523.978689684
15879631.278350933
8246887.499850448
12466160.457528915
7065097.642406208
26457071.6414846
227.1389
1.94
1.94
0
-1
Pyrenocine B putative
CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)O
InChI=1S/C11H14O5/c1-6(12)4-8(13)11-7(2)16-10(14)5-9(11)15-3/h5-6,12H,4H2,1-3H3
5983286.910190775
6380477.13130722
1430482.995312726
10536090.825068824
3963731.9932784126
9280571.296941789
354.1995
1.26
1.26
0
-1
21888416.679359995
18955483.96134192
22266951.62420404
21509881.73451596
13320852.26204211
25717042.0005017
270.1556
0.54
0.54
0
-1
771340.7047871747
143769.0116656272
1443926.3760847778
98755.0334895716
261876.69702258872
2039.789237273383
230.1209
2.9
2.9
0
-1
13181591.64071482
2621011.0097096665
12583883.270988816
13779300.010440815
4805186.851134389
0.0
264.102
2.58
2.58
0
-1
4762775.61920821
2490344.23552125
4636326.80036435
4889224.43805207
2452566.1399212293
2535677.950241275
360.2384
3.94
3.94
0
-1
8357.83372627939
18954535.756780256
0.0
16715.66745255878
627622.7271363804
40946831.3923529
579.3133
1.53
1.53
0
-1
4135509.053272066
3290859.94798951
4828894.152130004
3442123.9544141293
1979068.6502564969
4865009.505269126
422.2541
4.82
4.82
0
-1
14117605.34810678
6689648.38540422
17686116.67126474
10549094.024948806
10889604.258765208
1649701.3373710327
553.3344
1.6
1.6
0
-1
18838991.04896934
15147478.70246808
11740612.246184094
25937369.851754595
13381957.404058086
17266104.26056007
188.0351
0.25
0.25
0
-1
1190772.5733212628
129871.72976770515
135560.1401103269
2245985.0065321987
238098.1712407928
0.0
378.2768
5.75
5.75
0
-1
12356550.566758752
8471721.095001452
12579854.27323121
12133246.860286295
8506134.871577127
8430424.563110642
344.1453
0.84
0.84
0
-1
1926421.5064750304
8606.940260062505
33866.9245459571
3818976.088404104
15779.390476781262
0.0
584.2345
3.5
3.5
0
-1
1043412.3377981706
5666.9251648770405
0.0
2086824.6755963413
10389.362802274574
0.0
595.4256
4.45
4.45
0
-1
13616338.95177739
20787107.93896154
439126.1386658041
26793551.76488897
17019007.423194613
25308828.55788185
174.0136
0.33
0.33
0
-1
27097973.77980363
7658900.974005344
54195947.55960726
0.0
14041318.452343134
0.0
681.7991
0.81
0.81
0
-1
12848828.619250072
8043869.061896259
12064395.319465777
13633261.919034371
6133221.843118291
10336645.724429816
457.2292
0.97
0.97
0
-1
1412937.5143466943
3933436.9001958296
0.0
2825875.0286933887
181769.36981465903
8435437.936653234
379.7074
1.98
1.98
0
-1
2373292.4633592074
2507929.298012942
2364385.586492715
2382199.3402257
2473061.480742759
2549770.6787371603
210.1489
8.36
8.36
0
-1
11637724.356492445
10601340.532388387
11849940.45609351
11425508.256891375
6142009.832028779
15952537.372819915
604.2976
1.3
1.3
0
-1
16911.447866128918
21598794.321017228
0.0
33822.895732257835
5545.5403017715
47510692.85787578
321.1921
1.13
1.13
0
-1
4610271.489402391
1730762.503902055
7966682.488180429
1253860.490624352
3173064.5904871006
0.0
222.6443
0.62
0.62
0
-1
1281758.474215282
412416.9690542707
1898808.0140873091
664708.9343432548
754325.0979129038
2127.214423911284
258.1488
2.53
2.53
0
-1
24032251.7375569
20055746.782814786
22413223.0459204
25651280.429193404
17373955.659499977
23273896.13079255
230.1022
0.3
0.3
0
-1
577001.3286460182
2741348.77031898
571967.8722581939
582034.7850338424
4410952.346461502
737824.4789479523
226.18
2.8
2.8
0
-1
609852.1119127624
106198.20156186554
270269.13974413025
949435.0840813944
193820.1427775632
1051.872103028302
253.1084
2.46
2.46
0
-1
chlorhexidine
NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)"
3392378.647708447
50077713.11708891
0.0
6784757.295416894
3819656.13879603
105587381.49104032
529.302
1.09
1.09
0
-1
75567639.65209542
886811390.8671105
59179204.67347079
91956074.63072006
212537508.75244024
1695940049.404715
219.1338
0.45
0.45
0
-1
1524967.8757148013
304566.77957548085
1016718.1825415078
2033217.568888095
558372.429221715
0.0
398.3056
5.92
5.92
0
-1
2036525.409508188
11611799.050661191
36826.68546059406
4036224.133555781
720827.1448386484
24680965.337648246
492.2137
1.55
1.55
0
-1
5878361.626020097
4775248.580386143
4598706.944236848
7158016.307803348
2179031.1483965325
7890709.498773676
507.2815
1.53
1.53
0
-1
7231732.999237194
22685397.004915368
0.0
14463465.998474387
359712.5665968636
49476218.33089758
561.2916
0.78
0.78
0
-1
19038943.742764
6697760.049913015
20329195.606341552
17748691.87918644
12279226.75817386
0.0
228.1383
2.52
2.52
0
-1
1038310.971221406
174762.0849132864
183210.9975363765
1893410.944906436
320397.1556743585
0.0
292.1526
3.21
3.21
0
-1
6591865.794884912
7321390.855694414
6373295.542585
6810436.047184822
7400425.098720945
7226549.764062578
353.121
5.67
5.67
0
-1
10564339.1567351
22749579.106757667
987547.0379203884
20141131.27554981
8453686.219962588
39904650.57091175
275.1
0.61
0.61
0
-1
739931.004334139
24268763.996693198
1165570.1004550934
314291.9082131844
44474269.64852349
22157.214496843117
227.1753
0.92
0.92
0
-1
149624807.36973134
127205586.7806035
142035745.92196676
157213868.81749594
105582691.72553368
153153060.84668723
229.1183
0.97
0.97
0
-1
Spectral Match to PyroGlu-Val from NIST14
nan
nan
992986.5016995068
558402.0543021397
1498109.6987013773
487863.3046976365
603751.9825024608
503982.1404617544
140.0682
6.82
6.82
0
-1
3318607.900678815
3262327.888555197
3346535.5195691283
3290680.281788502
3532235.642598435
2938438.583703313
332.2069
6.91
6.91
0
-1
7857592.701877858
7309481.755411977
6199470.999989536
9515714.40376618
3183652.119140191
12260477.31893812
236.6418
0.61
0.61
0
-1
3175462.1234151297
497385.7463975664
4624540.236460924
1726384.010369336
911873.8683955384
0.0
471.1058
2.64
2.64
0
-1
15659717.205970185
6313705.507648164
26467300.14973113
4852134.262209244
11574075.65393597
1261.3321027922143
210.0584
2.34
2.34
0
-1
Aerugine
C1C(N=C(S1)C2=CC=CC=C2O)CO
InChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2/t7-/m1/s1
9491015.045005891
45090287.38766782
6344602.766158295
12637427.323853493
17891309.741958164
77729060.5625194
227.101
0.38
0.38
0
-1
104477586.89827992
40506489.440365925
200835628.999122
8119544.797437747
74261897.30733754
0.0
486.759
1.22
1.22
0
-1
26157084.12105653
27290601.59878468
19879586.913962204
32434581.32815087
14465175.317510946
42681113.13631316
513.2819
1.35
1.35
0
-1
19705002.90149103
18940093.999420896
20038310.787358597
19371695.01562347
11350316.93849115
28047826.472536582
360.2128
1.71
1.71
0
-1
3467628.420803447
3918847.020206944
3658490.8360414538
3276766.0055654403
2209251.9638253306
5970361.087864879
271.1075
2.26
2.26
0
-1
37700726.036044285
27619445.600039363
34134140.86483096
41267311.20725761
36398661.31857403
17084386.73779775
242.0996
0.78
0.78
0
-1
25429103.00378345
18547711.67386283
2547450.2459863857
48310755.76158052
8569807.98165111
30521196.1045169
287.1031
0.49
0.49
0
-1
36885607.33400921
31745806.217656337
67037996.32706576
6733218.340952654
48684946.928746514
11418837.364348125
354.1166
0.33
0.33
0
-1
5697149.071412269
2588746.6116337986
7397254.245357043
3997043.897467496
4746035.454661964
0.0
190.0709
0.36
0.36
0
-1
Spectral Match to N-Acetyl-L-glutamic acid from NIST14
CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
9164010.591755344
6765671.144125572
9937580.211984778
8390440.97152591
6264033.695416504
7367636.082576456
255.1314
1.08
1.08
0
-1
6189998.110487524
8688111.871391866
5174406.274441526
7205589.946533526
2785120.467561424
15771701.555988396
537.2921
1.38
1.38
0
-1
2554970.31459533
2685942.0685131275
2531331.2425430506
2578609.386647609
2842287.466035946
2498327.5914857453
194.154
8.36
8.36
0
-1
18318273.97985392
7142903.200480762
21083406.349924296
15553141.609783543
13095322.53421473
0.0
179.0604
2.64
2.64
0
-1
18449720.6927617
8094312.355021497
17862149.778201118
19037291.607322287
14782665.803470785
68288.2168823536
282.1467
3.3
3.3
0
-1
12322458.23577182
15488043.915801149
7873148.199066717
16771768.272476925
4215405.979908499
29015209.43887233
576.3506
1.61
1.61
0
-1
22274184.350131407
20665409.102187835
21745851.684976324
22802517.015286487
16940515.741301302
25135281.13525167
148.0967
0.29
0.29
0
-1
3226059.572263192
1966299.3595179685
2728080.263636569
3724038.880889814
1903431.8104766095
2041740.4183675973
339.1779
3.98
3.98
0
-1
1246689.8319528464
1635090.7993420726
1124229.955677589
1369149.7082281036
1342940.3381670814
1985671.352752062
294.2406
3.64
3.64
0
-1
7162104.320356268
5308656.766857337
7210368.546234763
7113840.094477773
5236444.048989984
5395312.02829816
250.1524
0.59
0.59
0
-1
1923430.3237033847
224156.20981557865
3414684.537725449
432176.1096813218
408981.3952574847
2365.987285291349
573.3325
3.42
3.42
0
-1
1459019.5412515148
131186.77766329888
61648.34567834786
2856390.736824681
240509.09238271465
0.0
125.552
5.29
5.29
0
-1
34862479.85269975
38156962.14484506
32288457.8960824
37436501.80931711
20318155.80525182
59563529.75235696
257.1858
1.6
1.6
0
-1
78491399.10359006
22818167.189166263
98082900.1364805
58899898.0706996
41809919.45415708
28064.47117729095
247.0476
2.65
2.65
0
-1
10562413.571633212
12205142.18307089
42995.593687253946
21081831.54957917
8096131.969728887
17135954.439081293
323.0113
0.25
0.25
0
-1
6604366.246234807
2314168.753496421
10599084.59215036
2609647.9003192536
4242642.714743439
0.0
227.0637
0.25
0.25
0
-1
38450978.61949731
35914893.5487029
36447329.67679461
40454627.5622
23417933.118391503
50911246.065076575
376.1894
0.98
0.98
0
-1
716179.8367054899
14759565.001978392
873677.8507206645
558681.8226903152
4683097.79539707
26851325.649875976
160.0344
0.25
0.25
0
-1
6550746.43071292
1337012.8574696751
7914434.276394155
5187058.585031685
2451190.2386944047
0.0
296.1621
3.63
3.63
0
-1
5296902.480166129
2802384.3617246747
8332941.487928341
2260863.472403917
4564912.172724455
687350.9885249385
165.0633
0.44
0.44
0
-1
692983.8539421231
833321.0808561129
670025.2250054694
715942.4828787768
491255.2695912531
1243800.0543739446
245.1285
2.34
2.34
0
-1
Spectral Match to Ile-Leu from NIST14
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1
5686008.614949671
5745010.436892121
5766409.990352605
5605607.239546739
2956192.0446620765
9091592.507568171
381.2136
2.29
2.29
0
-1
5279239.126268591
114775946.968851
4415995.933302109
6142482.319235072
29903810.203454062
216622511.0873274
138.0525
0.25
0.25
0
-1
2551451.954185224
609948.7194301744
1776722.8987560784
3326181.0096143694
1113551.000716903
5625.981886099942
328.2271
4.54
4.54
0
-1
0.0
12029118.971828189
0.0
0.0
30017.01245040605
26428041.32308153
638.4122
1.33
1.33
0
-1
3197920.703981014
1966553.8562278831
5838481.344127737
557360.0638342901
3605348.736417785
0.0
357.2134
1.09
1.09
0
-1
52253.92413285532
8377055.384933251
0.0
104507.84826571064
68282.41970050796
18347582.943212543
656.4018
1.65
1.65
0
-1
8332652.124692458
3834800.756034848
6301585.7018506825
10363718.547534231
6240538.649774264
947915.283547553
198.0372
0.3
0.3
0
-1
Spectral Match to D-Fructose from NIST14
C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
9992170.59357817
4444828.6682522185
12938315.361537753
7046025.8256185865
8134731.271421318
16945.544449299145
349.1885
3.75
3.75
0
-1
30922332.251980547
24788681.574543253
36712617.61220897
25132046.89175213
31695080.103679325
16501003.33957996
180.9038
0.24
0.24
0
-1
4385003.705721808
1105371.5969120627
4600337.198081748
4169670.213361869
2026514.5943387807
0.0
706.504
3.29
3.29
0
-1
6682270.775629361
13441171.851429604
897548.0059625384
12466993.545296185
3094212.423060816
25857523.165472142
302.2073
1.29
1.29
0
-1
7468722.568137727
7983509.096294564
5918293.32659487
9019151.809680589
3760846.564168966
13050704.134845285
496.2768
1.69
1.69
0
-1
6311918.300674238
2980372.4915935798
10103845.543380791
2519991.057967684
5464016.234588228
0.0
192.0688
1.02
1.02
0
-1
N-ACETYL-METHIONINE
C/C(=N/C(CCSC)C(=O)O)/O
"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)"
4471257.450082335
5563503.797662556
3765884.913034051
5176629.987130619
5677423.495364104
5426800.160420699
533.3833
5.76
5.76
0
-1
1243720.2940889269
4593921.884809631
602308.4454109025
1885132.1427669516
641641.0663648593
9336658.866943356
489.3093
2.18
2.18
0
-1
880493.2842736143
5424.312749172156
5502.570504987248
1755483.9980422414
9944.573373482286
0.0
763.6135
5.85
5.85
0
-1
7276535.740268479
5537583.455925086
14527738.720066125
25332.76047083129
10152236.335862655
0.0
571.3227
5.79
5.79
0
-1
2361458.2212382616
637531.0830910658
1835445.4257357589
2887471.016740764
1163131.3862546638
6810.719294747952
344.2583
5.25
5.25
0
-1
3910545.2031981368
2760345.8242683588
5543502.643989336
2277587.762406939
4614050.491145771
535900.2240154634
453.1678
3.93
3.93
0
-1
3640803.1863587904
4520607.637991956
3323545.404590941
3958060.9681266383
4892173.725184475
4074728.333360932
202.2279
8.45
8.45
0
-1
5108591.189469744
4886078.9551987015
5434632.791852468
4782549.587087021
3187604.414008235
6924248.404627262
412.1867
1.09
1.09
0
-1
18255959.144153863
19018915.829640053
17796139.552760392
18715778.735547338
18878064.322132874
19187937.63864866
137.9876
8.53
8.53
0
-1
39142631.50466632
38889033.79446839
41984612.26779297
36300650.74153966
24031109.20229125
56718543.30508095
475.2399
1.08
1.08
0
-1
1485856.5924313471
465654.7208434094
1278132.8504731625
1693580.334389532
853700.3215462506
0.0
338.2089
4.61
4.61
0
-1
39653357.26468579
39769836.73906925
8262309.713309341
71044404.81606224
22109649.62013614
60962061.28178897
388.151
0.43
0.43
0
-1
14126518.990740512
11498707.062246298
13483254.761498377
14769783.219982654
11023035.093779605
12069513.424406333
188.0916
0.36
0.36
0
-1
20220274.50979585
19908924.86845639
15395813.783294296
25044735.236297395
11351411.734222945
30177940.62953652
257.1445
1.35
1.35
0
-1
6562923.058187273
5499998.271266425
6919758.2821167605
6206087.834257784
4221669.685463629
7033992.574229782
499.2196
1.12
1.12
0
-1
28217599.896790143
24250131.52924817
30091600.05128655
26343599.742293745
23019142.02217497
25727318.937736023
409.2054
0.77
0.77
0
-1
991034.2257155388
5020037.270060007
74008.36483376536
1908060.086597312
535681.0009866866
10401264.79294799
408.249
1.81
1.81
0
-1
4967228.867149609
17036751.45504083
1389488.255053745
8544969.47924547
3283188.2993536107
33541027.241865497
459.243
0.73
0.73
0
-1
579674.0518843823
819665.6747149379
435113.1024808453
724235.0012879194
894001.5622813348
730462.6096352616
337.1048
4.05
4.05
0
-1
3786294.120592952
1606755.2829970927
3577088.0532154622
3995500.187970445
2938007.446452653
9252.68685042013
340.2272
4.61
4.61
0
-1
15933621.86334378
24794830.74637592
16170177.809193475
15697065.917494085
9268581.65666786
43426329.65402559
183.6104
0.75
0.75
0
-1
6358593.637938831
11465911.562773025
6790513.276405332
5926673.99947233
5484544.016536359
18643552.61825702
507.2426
1.32
1.32
0
-1
1669212.5930811402
547965.185071919
3338425.1861622804
0.0
1004602.839298518
0.0
752.5143
6.05
6.05
0
-1
31473471.211176723
7988709.037717093
36223804.52888099
26723137.89347246
14219995.77474068
511164.95328878856
339.3737
3.86
3.86
0
-1
13894321.729968011
9550828.739409156
17975153.594997447
9813489.86493858
9501974.312487788
9609454.051714793
718.5381
6.88
6.88
0
-1
PE(16:0/18:1); [M+H]+ C39H77N1O8P1
nan
nan
17477997.986252423
26610631.0112134
16058322.385582134
18897673.58692271
18224932.688477013
36673468.998497054
302.2074
1.4
1.4
0
-1
5368578.160269667
5180709.378125042
5630408.780395344
5106747.54014399
3798654.585317284
6839175.1294943495
287.1364
1.66
1.66
0
-1
7559177.979081991
6072267.727570485
8174795.318050175
6943560.640113804
3184428.0129929106
9537675.385063576
450.2853
4.82
4.82
0
-1
17911423.06815459
10523202.85424808
23815446.575948823
12007399.56036035
12162861.039578425
8555613.031851672
231.0973
0.42
0.42
0
-1
8966304.333974479
5542108.008722159
4560.094502139421
17928048.573446818
1523661.0187347366
10364244.396707067
521.2813
0.56
0.56
0
-1
10352906.520830104
9058766.707835378
10622581.063855745
10083231.977804463
7383733.771447587
11068806.231500724
336.1916
1.78
1.78
0
-1
2041025.848044949
627633.9621916976
3769753.8124555848
312297.8836343123
1008417.5804867026
170693.62023769162
447.2238
1.76
1.76
0
-1
Neogen
CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
"InChI=1S/C22H30N4O6/c1-3-12(2)19(23)21(30)25-16(8-9-18(27)28)20(29)26-17(22(31)32)10-13-11-24-15-7-5-4-6-14(13)15/h4-7,11-12,16-17,19,24H,3,8-10,23H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t12-,16-,17-,19-/m0/s1"
185189.878415554
14683100.264937837
0.0
370379.756831108
599783.2954909307
31583080.62827412
509.3331
1.21
1.21
0
-1
13726881.50987178
13440557.887013596
2327546.261196804
25126216.758546755
14469631.90529848
12205669.065071736
162.0501
0.29
0.29
0
-1
9805144.236507265
15940764.171939189
260757.05829428017
19349531.41472025
12999003.62522572
19470876.827995338
271.9905
0.33
0.33
0
-1
4878743.437105845
4859051.097006194
4895988.974415213
4861497.8997964775
2755518.8039562404
7383289.848666139
331.2226
1.64
1.64
0
-1
1283200.6347313393
1177371.410386407
1444346.446058277
1122054.8234044015
706128.3171682988
1742863.122248137
427.2094
4.79
4.79
0
-1
5863008.786308675
4609808.797946304
6730358.592063713
4995658.980553637
4171257.093490383
5136070.843293411
314.1472
0.53
0.53
0
-1
1783307.7966130425
1384366.4582223184
1507177.0876560516
2059438.5055700336
891250.962947925
1976105.0525515904
451.2456
7.48
7.48
0
-1
3750026.0755621567
26131045.860796276
0.0
7500052.1511243135
384601.2185204484
57026779.43152726
623.3067
1.15
1.15
0
-1
4117288.405498802
597383.193059985
7551529.735058621
683047.0759389832
1095202.5206099723
0.0
561.3329
3.42
3.42
0
-1
689550.6492271256
11366059.815835534
255625.23552167192
1123476.062932579
2432592.588121628
22086220.489092223
213.1342
0.33
0.33
0
-1
153664472.85761526
142510445.47002447
127898960.11871874
179429985.59651175
85833629.93473203
210522624.11237544
378.2022
1.08
1.08
0
-1
8488074.24984392
3093382.4330800846
8002320.207876593
8973828.291811245
5671201.127313488
0.0
193.0972
1.24
1.24
0
-1
4817159.121197642
4503424.294717572
5356309.970202402
4278008.272192881
1577110.0125486131
8015001.433320324
535.3131
1.78
1.78
0
-1
11795721.737190828
8285055.161406281
12280226.87076761
11311216.603614043
7700203.600325048
8986877.034703765
414.2346
0.97
0.97
0
-1
797600.787627251
59660.08516237399
452243.7542833914
1142957.8209711108
108006.35275421698
1644.564052162422
491.2905
2.95
2.95
0
-1
8847650.508809088
9576159.227780417
8049383.902131106
9645917.11548707
8446411.783234613
10931856.16123538
272.1967
1.94
1.94
0
-1
29808486.874707
15337709.415795963
31979559.03323257
27637414.71618145
28119133.92895927
0.0
501.1689
0.73
0.73
0
-1
766506.4123642478
194519.11855165623
479364.2017546993
1053648.6229737962
296145.7532081866
72567.15696381984
297.2424
5.01
5.01
0
-1
6587943.44371931
6301400.086729031
3241978.923551571
9933907.963887049
9730344.599779654
2186666.671068285
226.0447
0.41
0.41
0
-1
0.0
6732714.392157879
0.0
0.0
11954.367483825225
14797626.42176674
821.4373
2.02
2.02
0
-1
96070500.22788306
74660516.55461803
115057492.009541
77083508.44622515
94007840.88922752
51443727.35308667
164.9299
0.23
0.23
0
-1
4355456.032952318
7594790.95034977
794353.833977827
7916558.231926809
1096131.843107516
15393181.879040476
768.5224
1.57
1.57
0
-1
1019924.279241344
1018435.8326898912
1005404.4024214712
1034444.1560612166
1019271.5094327372
1017433.0205984756
386.1517
4.75
4.75
0
-1
4733176.243304448
5747521.710730782
4930089.418194588
4536263.068414309
1983258.1106892447
10264638.030780625
329.207
2.1
2.1
0
-1
778294.0491853148
268163.303350661
1556588.0983706296
0.0
491632.7228095452
0.0
604.442
6.08
6.08
0
-1
21698291.1332302
19815346.997268237
42273574.03407376
1123008.2323866338
36320269.43689177
9440.069719987518
543.2901
5.19
5.19
0
-1
1821065.5230045496
228364.89665008785
546343.9042279177
3095787.1417811825
418668.9771918277
0.0
304.1908
4.37
4.37
0
-1
74802699.56394483
64593608.71680499
69845725.83317287
79759673.2947168
51565236.20750367
80227655.72796655
312.1915
0.89
0.89
0
-1
Val-pro-pro
CC(C)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O
"InChI=1S/C15H25N3O4/c1-9(2)12(16)14(20)17-7-3-5-10(17)13(19)18-8-4-6-11(18)15(21)22/h9-12H,3-8,16H2,1-2H3,(H,21,22)/t10-,11-,12-/m0/s1"
2190395.471756088
253899.62141565877
577470.684737547
3803320.258774631
465482.6392620409
0.0
343.2599
4.01
4.01
0
-1
0.0
19203154.6543605
0.0
0.0
0.0
42246940.2395931
568.8373
1.75
1.75
0
-1
2230387.8365700277
254234.8745008546
22873.73358748833
4437901.939552566
466097.2699182335
0.0
309.1333
2.09
2.09
0
-1
68693261.971858
54252254.56896612
35468708.604777105
101917815.33893888
19046591.416073456
96499050.35243732
269.1109
0.34
0.34
0
-1
15038463.515699008
6029533.289777659
15138491.786137844
14938435.24526017
4970043.859837952
7300920.605705308
411.1991
3.86
3.86
0
-1
12566712.543759612
9647601.526379991
13365247.647960544
11768177.439558676
7943725.755020373
11692252.452011537
389.1703
0.9
0.9
0
-1
7119686.668679015
32261343.508759737
3979029.631402692
10260343.70595534
14530936.42042581
53537832.01476046
211.1054
0.59
0.59
0
-1
Massbank:PR300771 Cyclo(proline-leucine)
CC(C)CC1N=C(O)C2CCCN2C1=O
1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
1659833.0302647683
2401566.680438138
1271775.5094937123
2047890.551035825
696975.1092204251
4447076.5658993935
855.4975
2.22
2.22
0
-1
8534025.785211382
7361601.671268639
8545518.951316109
8522532.61910666
4957227.742725282
10246850.385520669
495.2558
0.9
0.9
0
-1
7897949.12292673
2222042.2110979096
10877513.810019994
4918384.435833463
4072224.848128808
1823.0466608314075
193.3601
3.96
3.96
0
-1
2365406.576335714
1666296.4942975417
2666686.453593004
2064126.699078425
2699448.470765642
426514.1225358223
142.948
0.62
0.62
0
-1
452514.0266982592
818640.8550779001
409997.9054739988
495030.14792251977
133652.98616100167
1640626.2977781782
321.2156
2.73
2.73
0
-1
543043.7440829017
911263.6293861808
554626.9307986473
531460.557367156
368474.8419538448
1562610.174304984
319.2011
3.32
3.32
0
-1
11859548.684219468
15318653.949887536
7758443.464403269
15960653.904035663
10314334.004696978
21323837.88411621
192.0242
0.25
0.25
0
-1
0.0
23213948.58503526
0.0
0.0
3083729.5854058056
47370211.38459061
433.3016
0.65
0.65
0
-1
24755718.59620193
31605861.6674012
13486643.738402767
36024793.4540011
28883099.59823282
34873176.15040325
176.0657
0.48
0.48
0
-1
7899821.911689368
853538.0929248589
5833576.391984921
9966067.431393815
1564819.8370289078
0.0
533.338
3.61
3.61
0
-1
2025163.3142545484
261191.64216932456
832942.7946392
3217383.833869897
478851.34397709504
0.0
248.1071
2.54
2.54
0
-1
57273215.46278191
23858790.346074115
60179587.21592458
54366843.70963926
26051120.72793363
21227993.88784269
334.2224
3.37
3.37
0
-1
278849376.3915484
303923855.58311534
5698127.529505372
552000625.2535914
165952999.48851228
469488882.8966391
203.0525
0.25
0.25
0
-1
4960482.851796354
7500960.143524288
4105221.524401689
5815744.179191018
3535246.909200628
12259816.024712682
364.1849
1.63
1.63
0
-1
18833070.98683641
24126019.85802142
571731.7907135503
37094410.18295927
9399537.03420169
41797799.24660509
169.0947
0.24
0.24
0
-1
198664845.7535968
245408303.1982265
78436199.05947743
318893492.4477161
124039676.75313032
391050654.93234205
247.1287
0.31
0.31
0
-1
Spectral Match to Glu-Val from NIST14
nan
nan
4333870.896993157
376392.9994747695
6991124.723508701
1676617.070477615
690053.8323704107
0.0
356.0687
2.64
2.64
0
-1
1642642.6610437278
563835.8191873039
1672014.4770695183
1613270.8450179377
462195.422510932
685804.2951989502
352.2118
3.05
3.05
0
-1
14159903.614944888
12093944.451028751
12292774.094564432
16027033.135325344
9906121.675744364
14719331.781370018
144.102
8.43
8.43
0
-1
9169680.81383887
1900447.033236936
4207046.392656776
14132315.235020958
3484152.894267716
0.0
400.1656
1.77
1.77
0
-1
6841375.300176452
8750833.961340196
3733419.6959664314
9949330.904386474
3646672.673861882
14875827.50631418
483.2247
1.54
1.54
0
-1
1840164.1305986957
5170.980006612902
0.0
3680328.2611973914
9480.130012123656
0.0
711.5798
5.75
5.75
0
-1
2420233.064390372
2412313.484184303
2138013.883336391
2702452.2454443527
1437917.5682917517
3581588.583255365
345.1809
2.96
2.96
0
-1
7778051.368551478
15607224.782809464
2024423.514427656
13531679.2226753
3230894.8756852453
30458820.67135853
408.2126
1.3
1.3
0
-1
3847472.71552706
18986794.07169168
3901743.965770144
3793201.465283975
4834676.602632546
35969335.03456264
231.1338
0.29
0.29
0
-1
10485205.12801276
9542468.692034926
10686445.93041048
10283964.325615045
7256067.697771318
12286149.885151252
158.0964
1.26
1.26
0
-1
21332052.522265803
7814112.610769477
26726241.69000029
15937863.354531318
14145561.684005938
216373.7228857216
212.0528
0.35
0.35
0
-1
9348396.982327744
8717785.841887113
9520996.207356447
9175797.757299038
9306558.020277476
8011259.227818677
282.9104
8.44
8.44
0
-1
3397126.5954654743
2259113.716869076
4074497.415262202
2719755.7756687454
2679907.409527855
1754161.2856785408
188.0244
8.36
8.36
0
-1
3208789.276124412
1730826.3294542893
4882573.394226021
1535005.1580228012
3173181.603999531
0.0
246.0636
2.29
2.29
0
-1
4479186.7245222535
2978531.191360481
3865331.339068167
5093042.109976339
2594743.5370358443
3439076.3765500463
339.1211
3.69
3.69
0
-1
1787482.8230477876
183935.8653409636
169045.3433331979
3405920.302762377
337215.7531251
0.0
368.2952
5.58
5.58
0
-1
1520088.342550763
273943.9711895536
623944.4642838488
2416232.220817677
502230.6138475149
0.0
311.684
3.13
3.13
0
-1
4326922.269500841
4719208.234599459
4447130.051531843
4206714.48746984
2299623.869333303
7622709.472918848
487.2867
1.93
1.93
0
-1
8415658.371356191
2607961.944748233
15818126.9629078
1013189.77980458
4781263.565371762
0.0
190.0308
2.94
2.94
0
-1
650336.5620973237
2258479.871853366
596297.1398547145
704375.984339933
581492.5622224914
4270864.643410414
215.139
5.8
5.8
0
-1
60311208.61434687
57220761.07843835
64599943.7766157
56022473.45207804
44741798.69544979
72195515.9380246
387.2234
0.78
0.78
0
-1
2356505.890775151
3680910.841700679
2397977.378082851
2315034.4034674508
1367923.2830347817
6456495.912099756
390.2504
1.91
1.91
0
-1
4208804.399895022
1375229.8687791957
5331066.031344543
3086542.7684455
2521254.759428525
0.0
377.2197
4.24
4.24
0
-1
1464828.788978825
7638850.475980883
393472.32318005216
2536185.2547775987
655969.9207748271
16018307.14222815
473.2975
1.73
1.73
0
-1
5789179.492398323
6561237.931007735
1113705.6483397256
10464653.33645692
2974533.598394674
10865283.130143408
362.1919
0.46
0.46
0
-1
1239072.2158908444
260078.87346899987
523050.4139252075
1955094.0178564813
476811.2680264997
0.0
226.1226
2.43
2.43
0
-1
24723083.911044475
25212079.840412103
25112766.959578183
24333400.86251076
26628720.10851905
23512111.518683773
404.8165
8.57
8.57
0
-1
3406271.963124636
1218310.0941193483
6757766.081676303
54777.8445729673
2233568.505885472
0.0
446.261
1.37
1.37
0
-1
588951.73351426
319450.0918614382
873254.5142863741
304648.9527421459
341815.39719240787
292611.7254642745
326.3784
4.92
4.92
0
-1
1364440.1433934814
502670.40647922695
1203406.152256999
1525474.134529964
921562.4118785828
0.0
254.1154
2.59
2.59
0
-1
31096645.594450902
38040560.97396727
15063253.622973928
47130037.565927885
14410184.121871362
66397013.196482375
461.2423
1.54
1.54
0
-1
3419046.8771277177
681843.2970785777
3611072.973013867
3227020.781241568
1250046.044644059
0.0
304.191
2.85
2.85
0
-1
4535297.5541090015
3839613.623011841
4825801.550744387
4244793.557473618
3921070.5711208335
3741865.285281047
409.1836
6.57
6.57
0
-1
16016523.738823991
14351367.655064823
15201797.609462308
16831249.868185677
12273833.009570666
16844409.229657814
249.1258
1.18
1.18
0
-1
Spectral Match to Val-Met from NIST14
CC(C)C(C(=O)NC(CCSC)C(=O)O)N
InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
12536586.213295646
10874112.840590976
14842563.5125267
10230608.914064588
8222539.083663194
14056001.348904315
185.092
0.54
0.54
0
-1
564946.023617063
309916.30308859027
516239.941772278
613652.1054618477
203829.0542971876
437221.00163827353
307.1537
3.05
3.05
0
-1
13296462.349476932
2623223.1171241403
25490835.35472893
1102089.344224936
4752819.403869147
67707.57303013233
320.0855
4.58
4.58
0
-1
2948890.9603358284
2560142.0397287016
3390683.3963422347
2507098.5243294216
2717594.474346622
2371199.118187197
489.3574
5.61
5.61
0
-1
4516711.144126392
3987827.369007114
4578779.721481646
4454642.5667711375
2831387.863380316
5375554.775759271
424.2189
0.61
0.61
0
-1
39969278.08891026
76855092.49187712
16032775.282380223
63905780.89544029
24052262.44477009
140218488.54840556
360.2127
1.19
1.19
0
-1
16989271.709138606
6528816.035938931
33130511.90417341
848031.514103794
11227708.405997394
890145.191868778
158.0246
0.29
0.29
0
-1
11286578.338566514
13637540.930612369
6979219.662881363
15593937.014251664
4971579.155356918
24036695.060918912
318.2023
1.6
1.6
0
-1
6726193.594471197
28508494.402987298
1651535.4261639582
11800851.762778431
13192393.948305065
46887814.94860598
199.1315
0.28
0.28
0
-1
10673274.390220566
9676773.825628338
9668237.074300438
11678311.706140691
6877191.512670473
13036272.60117778
261.0903
0.99
0.99
0
-1
Spectral Match to PyroGlu-Met from NIST14
nan
nan
888340.8469736385
335670.1322214761
1756217.838455364
20463.85549191325
615395.2424060395
0.0
605.3644
6.33
6.33
0
-1
14238714.823449347
8412532.4976788
15634140.816915125
12843288.82998358
6459825.328375145
10755781.10084318
327.1566
4.46
4.46
0
-1
17776171.527093526
4753319.341705202
34994940.438721776
557402.6154652677
8714418.793126205
0.0
702.0393
2.94
2.94
0
-1
304433.1029659616
1306221.707931813
335574.05680151045
273292.1491304128
1855117.5641619868
647546.6804556048
266.1727
2.8
2.8
0
-1
5392048.311817461
5170647.022284419
5370770.970816537
5413325.652818385
3073431.8033229467
7687305.285038186
394.1974
1.85
1.85
0
-1
12907180.404660188
18993886.014287826
6698415.832643091
19115944.976677287
11885211.930313123
27524294.915057477
172.0402
0.34
0.34
0
-1
799.8773370624867
4948704.907457436
1599.7546741249737
0.0
1133.8155053320063
10885790.21779996
687.332
2.12
2.12
0
-1
9530390.348559871
8953843.283213316
19015700.042650443
45080.65446930212
16343096.69497034
86739.18910488163
687.3256
0.71
0.71
0
-1
48306846.06014288
143157336.14632928
5521800.335719082
91091891.7845667
44964728.74208044
260988465.03142792
270.1644
0.34
0.34
0
-1
8575433.965052688
7670778.562652875
10025126.955587327
7125740.97451805
4736093.536764531
11192400.59371889
526.323
1.07
1.07
0
-1
29198772.917884845
27330939.491044156
28599057.447057456
29798488.38871224
18137111.48204257
38363533.10184606
441.2341
0.84
0.84
0
-1
5121392.500753948
12648547.757450378
45917.238442373615
10196867.763065524
2735186.4630135703
24544581.310774542
142.0475
0.25
0.25
0
-1
4567687.654989204
3668157.968069904
9093656.643114405
41718.66686400177
6724956.274794824
0.0
569.3066
5.53
5.53
0
-1
25259802.322739616
21703830.722870115
25338518.66642818
25181085.979051057
19065810.51943018
24869454.966998044
144.0655
0.61
0.61
0
-1
11987261.90816319
5930670.502472233
21769546.99425577
2204976.822070612
10872895.921199096
0.0
724.0216
2.94
2.94
0
-1
16093831.459731037
24378198.895730555
6812575.722313681
25375087.197148398
9210116.732459676
42579897.49165561
269.1118
0.56
0.56
0
-1
2691535.454557266
332946.30921680166
178490.4200095837
5204580.489104948
610401.5668974697
0.0
228.7397
3.79
3.79
0
-1
0.0
3665182.418170964
0.0
0.0
0.0
8063401.319976121
843.4192
2.02
2.02
0
-1
12073679.708449878
2651989.612619021
22128374.57510181
2018984.841797943
4787853.216492921
88953.28797034043
226.0529
2.07
2.07
0
-1
7310555.9515624335
5291844.039571949
9040779.306419993
5580332.596704875
6777208.761687342
3509406.373033477
174.0901
8.27
8.27
0
-1
Tribuzone
CC(C)(C)C(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
"InChI=1S/C22H24N2O3/c1-22(2,3)19(25)15-14-18-20(26)23(16-10-6-4-7-11-16)24(21(18)27)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3"
16060878.685860723
16194381.449370306
16540147.274051988
15581610.097669462
16150992.047024706
16246448.732185025
125.9864
8.41
8.41
0
-1
996587.5984860888
134265.07133909577
43171.50512981828
1950003.6918423595
246152.6307883422
0.0
348.2301
4.71
4.71
0
-1
1175906.99137477
664344.7045334132
2116148.04626038
235665.93648916032
1217965.291644591
0.0
297.134
2.06
2.06
0
-1
809723.1618405407
134689.83098249935
634068.1159827088
985378.2076983728
246931.3568012488
0.0
258.1488
2.33
2.33
0
-1
12798397.26887008
5950638.992957991
17144902.86022581
8451891.677514352
10210862.531137982
838370.7471419986
175.1076
0.26
0.26
0
-1
1678143.2098521318
1591571.857109079
1818621.6312858297
1537664.788418434
954068.1404943558
2356576.3170467466
381.2174
3.9
3.9
0
-1
6318908.128583395
5280963.864720473
12614112.663280591
23703.593886193747
9681767.085320868
0.0
704.7557
0.75
0.75
0
-1
10462174.275939226
8571202.990104971
2183530.8476550337
18740817.704223417
3270015.5529379887
14932627.914705353
385.2443
1.33
1.33
0
-1
1367757.7196358417
1255945.3006362347
1809324.579220176
926190.8600515076
1882664.956303024
503881.7138360879
270.3156
3.93
3.93
0
-1
5900418.701380304
2556850.1470426256
7531570.697486807
4269266.7052738005
3629679.81953378
1269454.5400532412
276.1595
4.03
4.03
0
-1
12464772.759141622
9546269.710054267
13206006.507461188
11723539.010822052
9269361.473104576
9878559.594393894
277.1181
1.24
1.24
0
-1
Spectral Match to PyroGlu-Phe from NIST14
nan
nan
6052354.081136783
1650808.9874305294
12104708.162273563
0.0
3026483.1436226373
0.0
682.3151
0.65
0.65
0
-1
4863805.138917201
2085099.543815392
2359462.8543184246
7368147.423515978
3796937.073840471
30894.50778529686
240.1804
1.43
1.43
0
-1
143644304.51790115
66965268.19543843
150145806.96028146
137142802.07552084
68972791.0325973
64556240.7908478
346.2228
3.68
3.68
0
-1
1538027.459415108
9893682.082014354
520020.7046802524
2556034.214149963
918360.6524390276
20664067.797504745
366.2014
1.19
1.19
0
-1
9210990.30547564
9925166.173696656
6829585.063353046
11592395.547598232
4810492.817123119
16062774.201584902
707.4674
1.5
1.5
0
-1
4480187.675174588
1596120.489390237
8423236.936653677
537138.4136954988
2926220.897215435
0.0
417.2336
1.04
1.04
0
-1
607288.9017539537
261668.4564512295
815859.0259133567
398718.7775945508
278054.4624903943
242005.2492042317
428.2679
6.13
6.13
0
-1
780255.15325229
2072940.2747654752
832724.8447251949
727785.461779385
615344.3798340963
3822055.34868313
213.1024
2.47
2.47
0
-1
2527656.74654997
215248.16666508056
3434284.015991892
1621029.477108047
393433.3919555
1425.8963165772134
487.2586
2.65
2.65
0
-1
27936021.8757028
45632394.1885761
6731867.352291732
49140176.39911387
22522731.4921968
73363989.42423126
282.1786
0.43
0.43
0
-1
11581481.206036462
18417479.348924275
3821313.3895733743
19341649.022499543
7613951.724423313
31381712.49832542
308.1576
0.75
0.75
0
-1
6407878.3904647855
1788009.8418818095
6441862.207983654
6373894.572945915
3278018.0434499835
0.0
220.0968
1.36
1.36
0
-1
15597960.86504492
7880917.050349677
14508638.454506071
16687283.275583768
9859055.873431752
5507150.46265119
251.1141
0.34
0.34
0
-1
4676766.463036212
3455181.439330392
5092900.632588739
4260632.293483685
5646770.36709261
825274.7260157301
258.1808
1.55
1.55
0
-1
8562535.739609018
10732936.750304615
7657877.53004967
9467193.949168367
9347739.50110037
12395173.44934971
194.0221
0.35
0.35
0
-1
4343164.121074057
1641668.7961178457
8156079.28773357
530248.954414546
3009726.1262160507
0.0
298.1417
3.59
3.59
0
-1
10969213.281721575
2493661.103454992
3479646.379076484
18458780.18436667
4571712.023000818
0.0
370.0522
0.29
0.29
0
-1
29984-33-6
Nc1c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2ncn1
"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1"
11930308.137649538
5438823.461118954
14054417.081438083
9806199.193860993
9939662.11884352
37817.07184947577
351.2045
3.96
3.96
0
-1
4081442.344109548
867815.2056919053
5352436.44546609
2810448.242753006
1558836.4961734088
38589.65711410136
266.1151
2.65
2.65
0
-1
2015874.1417341605
2242262.649765144
2137317.392720657
1894430.890747664
2347464.912677433
2116019.9342703964
181.0143
8.14
8.14
0
-1
1823068.780599716
2601666.8447476854
1793032.142008613
1853105.419190819
2678842.939347136
2509055.5312283444
270.2792
5.89
5.89
0
-1
3771475.719471063
15003369.98977708
0.0
7542951.438942126
592167.9185527471
32296812.47524628
205.1257
0.85
0.85
0
-1
2020822.0182736327
1757833.1846888924
1965077.672565179
2076566.3639820856
1814256.9468228156
1690124.6701281853
256.2999
4.22
4.22
0
-1
3602450.420453192
3973055.582840584
2480563.655343858
4724337.185562525
4090918.3231858592
3831620.294426252
392.3733
6.09
6.09
0
-1
2247850.7080002287
2140440.987571146
2247707.44560792
2247993.970392538
2281876.736499211
1970718.0888574675
235.1804
8.4
8.4
0
-1
92076682.14706928
72160957.50218435
53139239.43127972
131014124.86285885
60640876.1274002
85985055.1519253
220.1178
0.78
0.78
0
-1
Spectral Match to Pantothenic acid from NIST14
nan
nan
9147150.205296217
8187771.56579757
9277182.079356758
9017118.331235675
6053221.600108247
10749231.524624756
214.0861
1.26
1.26
0
-1
3909819.564976216
1547289.0735862595
3193796.167889093
4625842.962063338
2677401.423893836
191154.2532171677
409.1626
3.51
3.51
0
-1
12838428.00928002
15012740.215102732
7734296.635431209
17942559.383128833
4717818.943438466
27366645.741099853
603.3345
1.05
1.05
0
-1
68892.72730078803
6322610.945725241
4943.193328892558
132842.26127268348
1235.095853271948
13908261.9655716
654.3484
1.97
1.97
0
-1
8980717.674018942
5434959.897451926
10364135.290990932
7597300.05704695
7196558.5514990585
3321041.5125953658
140.0317
0.29
0.29
0
-1
1419682.044566701
223639.55424757
273754.0965699964
2565609.992563405
410005.8494538783
0.0
404.2926
5.85
5.85
0
-1
4717075.923442367
674914.1026023525
1288217.6776385892
8145934.1692461455
1237342.521437646
0.0
320.1838
4.01
4.01
0
-1
87620207.63502704
123486880.33844247
31527364.90857898
143713050.36147508
72548818.589263
184612554.43745783
133.0318
0.34
0.34
0
-1
7401741.874775653
10279370.528097356
4395080.537144648
10408403.212406656
4951567.581709272
16672734.063763058
145.0497
8.93
8.93
0
-1
1008831.2703615772
143365.30233571338
509181.2827205549
1508481.2580025997
262836.3876154746
0.0
531.3586
3.12
3.12
0
-1
119119167.85787164
73141979.2079292
234949003.63998827
3289332.0757550034
132250265.16668488
2212036.0574223744
676.3331
0.72
0.72
0
-1
4522605.057311277
1730857.4284116663
5095786.25664984
3949423.8579727137
3173238.6187547217
0.0
269.0296
2.65
2.65
0
-1
3138510.7157170386
1000894.5920140924
1673250.7834743944
4603770.647959682
849111.3565635978
1183034.4745546863
477.306
2.0
2.0
0
-1
2279382.173913657
2190964.5963502456
2748781.4687810666
1809982.879046248
4016768.426642118
0.0
344.1973
1.55
1.55
0
-1
3168963.7490044627
4230096.38593946
3205912.14503988
3132015.3529690453
2506005.068143817
6299005.967294231
341.2075
2.87
2.87
0
-1
17167793.573466416
14164588.103772275
13316404.050811328
21019183.096121512
6962512.70854906
22807078.57804014
351.1329
1.32
1.32
0
-1
9153273.052459082
6301361.547390882
8865828.76512632
9440717.339791847
6120683.892049008
6518174.733801129
235.1076
1.02
1.02
0
-1
9008398.835105944
9633777.915204866
9190483.77727243
8826313.892939458
6562425.674862851
13319400.603615282
187.1229
1.44
1.44
0
-1
1525015.292261165
10284.741468250188
0.0
3050030.5845223307
18855.35935845868
0.0
651.4886
4.71
4.71
0
-1
7382562.758371179
6079613.521503035
7697894.488526192
7067231.0282161655
4783339.756557807
7635142.039437306
280.2017
0.63
0.63
0
-1
2927374.943235958
2185125.8531147274
2575001.504162689
3279748.382309228
1664001.4353078704
2810475.154482955
451.2456
7.46
7.46
0
-1
2321849.9772500764
735331.6902186436
4629141.092859938
14558.861640214003
1348108.0987341795
0.0
606.4577
6.33
6.33
0
-1
14456639.70467078
5686880.069776531
19074504.967250194
9838774.442091368
10380839.078709628
54129.259056816445
308.1622
3.75
3.75
0
-1
1555273.6052794345
3461909.817753358
1553840.979248929
1556706.2313099392
6229708.405020281
140551.51303304947
300.2029
1.09
1.09
0
-1
4728011.534030603
546160.1921556796
985795.4704231712
8470227.597638037
997630.5625929724
4395.747630928063
400.1084
3.53
3.53
0
-1
762973.6422125768
574340.3572977328
512756.7651214269
1013190.5193037268
377331.9342355186
810750.4649723896
337.1622
3.94
3.94
0
-1
17079283.94578566
24801512.045964383
1432982.1689609475
32725585.722610373
8015041.237492784
44945277.01613031
303.1314
0.83
0.83
0
-1
7053856.92117191
2342603.365163944
8810240.391523505
5297473.450820317
4288429.544178524
7611.950346446445
336.1929
4.24
4.24
0
-1
36291817.74203377
47425139.29393957
30837643.00233789
41745992.481729634
16088771.66025669
85028780.45435902
473.2758
1.94
1.94
0
-1
4249568.81267658
3008639.571138047
4168404.0657741767
4330733.559578982
2690635.7664897754
3390244.136715972
287.1027
1.55
1.55
0
-1
58159064.415314354
35993435.546809465
62686045.002367325
53632083.828261375
27001628.23504536
46783604.32092638
350.2326
4.46
4.46
0
-1
33233393.42961648
12791793.056537991
39225180.854532175
27241606.004700784
23451620.603652988
0.0
380.9871
1.44
1.44
0
-1
31189654.11436959
11615607.39173229
38918728.71923918
23460579.5095
19147507.49524548
2577327.2675164645
400.1985
0.95
0.95
0
-1
35148346.16647846
81103620.98627204
3842439.6260468313
66454252.706910096
23620011.469715785
150083952.40613955
366.2131
0.42
0.42
0
-1
11502884.453339726
5375670.479969436
17664805.554569867
5340963.35210958
9834442.948467229
25143.517772086943
226.0686
0.35
0.35
0
-1
4265662.76612288
2284693.815164319
4198896.962045961
4332428.570199801
2229479.605432588
2350950.866842396
309.1309
3.35
3.35
0
-1
1903634.322426952
1162201.0157711671
2087863.4455114985
1719405.1993424054
785331.1217587638
1614444.8885860513
343.1306
4.46
4.46
0
-1
942941.3475585576
1765399.037816153
1035061.4875869716
850821.2075301436
615551.9692358548
3145215.5201125112
179.1544
3.35
3.35
0
-1
2831448.3284494425
16861468.09806408
29621.55999738726
5633275.096901498
1183976.961704543
35674457.46169552
400.1858
1.5
1.5
0
-1
9268883.085802944
18930931.24113479
86898.89868878077
18450867.272917103
6012037.35524412
34433603.9042036
443.2866
0.91
0.91
0
-1
551820.5988412183
764623.4636504382
250186.67348577443
853454.5241966621
1191361.1210496286
252538.2747714097
341.3164
6.34
6.34
0
-1
53216393.780114494
49935906.1410073
40266804.48463434
66165983.07559464
31081218.995885875
72561530.715153
299.1002
0.44
0.44
0
-1
2639478.446532789
20084646.74301353
9221.886192285046
5269735.006873294
871101.3848372794
43140901.17282504
437.2503
0.75
0.75
0
-1
2376958.72285408
838949.7489440725
2907085.3157964093
1846832.1299117503
1519124.9519832686
22739.50529703693
321.1566
3.09
3.09
0
-1
2270074.820650689
422064.36390395375
1547924.702623092
2992224.9386782856
773784.6671572486
0.0
328.1419
3.17
3.17
0
-1
0.0
18542340.760803923
0.0
0.0
0.0
40793149.67376863
161.5972
0.42
0.42
0
-1
6708291.503258649
2745111.067255888
8091264.745634344
5325318.260882956
5002942.267181649
35713.62734497474
277.1707
1.34
1.34
0
-1
2053578.117970633
3297624.721809295
1842661.702194471
2264494.533746795
1262243.8070944294
5740081.819467135
342.2022
2.02
2.02
0
-1
1160709.5567314222
399559.27349351975
2013042.7336587475
308376.3798040969
732525.3347381195
0.0
234.0587
1.91
1.91
0
-1
1067500.0487283554
112088.86311889232
2135000.097456711
0.0
205496.24905130256
0.0
500.2188
4.34
4.34
0
-1
593920.7617010482
1851857.3476900184
409216.1816923972
778625.3417096994
435800.250093289
3551125.8648060933
229.1546
2.44
2.44
0
-1
Spectral Match to Pro-Ile from NIST14
nan
nan
612776.4565363008
1390994.491876363
403263.6015045997
822289.3115680019
232028.0717322801
2781754.196049263
397.2122
2.65
2.65
0
-1
1953066.713831008
27017863.3876121
0.0
3906133.427662016
1145581.472227616
58064601.68607348
539.3436
1.15
1.15
0
-1
4478720.624816112
6414348.680026547
3665944.175197256
5291497.0744349705
4622677.221292119
8564354.430507863
249.1208
1.94
1.94
0
-1
62816763.17760677
65641713.2864343
61870082.251335
63763444.10387856
42535186.80831831
93369545.06017353
287.1713
1.38
1.38
0
-1
Arg-C7:0
CCCCCCC(NC(C(O)=O)CCCNC(N)=N)=O
InChI=1S/C13H26N4O3/c1-2-3-4-5-8-11(18)17-10(12(19)20)7-6-9-16-13(14)15/h10H,2-9H2,1H3,(H,17,18)(H,19,20)(H4,14,15,16)
22334023.659845416
47961821.59182383
16016220.975520408
28651826.344170436
27283614.159595866
72775670.51049739
217.1181
0.35
0.35
0
-1
10759354.370817538
11843338.275358727
2413251.464331665
19105457.277303416
5768066.777938853
19133664.072262578
244.1655
0.25
0.25
0
-1
0.0
4169355.756677026
0.0
0.0
0.0
9172582.664689455
296.6945
1.89
1.89
0
-1
0.0
15657392.571687909
0.0
0.0
0.0
34446263.6577134
326.7049
1.51
1.51
0
-1
-16.031
-16
0.9238
0
3994
3645
16
Cosine
0.9238
0.001
0
0.9405
0
3994
3608
16
Cosine
0.9405
-0.0
0
0.9452
0
3994
4104
16
Cosine
0.9452
-0.001
0
0.9405
0
3994
4716
16
Cosine
0.9405
0.011
0
0.9897
0
2083
382
22
Cosine
0.9897
-26.016
-26
0.8354
0
1786
460
28
Cosine
0.8354
28.03
28
0.7848
0
1786
1463
28
Cosine
0.7848
-146.06
-146
0.8181
0
1786
909
28
Cosine
0.8181
42.045
42
0.8442
0
1786
325
28
Cosine
0.8442
-14.016
-14
0.8167
0
1786
1715
28
Cosine
0.8167
14.016
14
0.9158
0
3618
2976
65
Cosine
0.9158
-0.021
0
0.9726
0
1155
288
126
Cosine
0.9726
83.982
83
0.7712
0
302
664
284
Cosine
0.7712
62.0
62
0.7644
0
302
720
284
Cosine
0.7644
-141.941
-141
0.8364
0
302
146
284
Cosine
0.8364
-21.982
-21
0.8338
0
302
254
284
Cosine
0.8338
-16.031
-16
0.9084
0
2600
360
24
Cosine
0.9084
-71.073
-71
0.8621
0
2600
1487
24
Cosine
0.8621
-65.085
-65
0.8845
0
2600
486
24
Cosine
0.8845
-14.016
-14
0.8712
0
2600
518
24
Cosine
0.8712
-115.1
-115
0.8836
0
2600
861
24
Cosine
0.8836
-113.084
-113
0.8644
0
2600
1308
24
Cosine
0.8644
-48.001
-48
0.8645
0
2600
3308
24
Cosine
0.8645
14.016
14
0.9018
0
4170
3707
8
Cosine
0.9018
-48.0
-48
0.7047
0
4170
4239
8
Cosine
0.7047
-33.984
-33
0.8506
0
4170
4245
8
Cosine
0.8506
-214.131
-214
0.8254
0
175
279
287
Cosine
0.8254
-0.012
0
0.9692
0
244
1985
229
Cosine
0.9692
10.021
10
0.8854
0
1085
360
24
Cosine
0.8854
45.021
45
0.894
0
1085
2214
24
Cosine
0.894
-14.015
-14
0.9345
0
1085
2967
24
Cosine
0.9345
-317.195
-317
0.9424
0
1085
2975
24
Cosine
0.9424
46.009
46
0.9472
0
2327
247
16
Cosine
0.9472
-33.996
-33
0.9397
0
2327
903
16
Cosine
0.9397
-14.016
-14
0.9565
0
2327
2298
16
Cosine
0.9565
27.983
27
0.9553
0
2327
340
16
Cosine
0.9553
12.025
12
0.9481
0
2327
69
16
Cosine
0.9481
-0.012
0
0.9951
0
2327
709
16
Cosine
0.9951
0.0
0
0.9398
0
2327
1210
16
Cosine
0.9398
-46.01
-46
0.9415
0
2327
2500
16
Cosine
0.9415
-33.984
-33
0.9352
0
118
162
35
Cosine
0.9352
15.995
15
0.9119
0
118
294
35
Cosine
0.9119
-49.979
-49
0.8911
0
118
311
35
Cosine
0.8911
28.031
28
0.9573
0
258
469
170
Cosine
0.9573
45.058
45
0.9085
0
258
776
170
Cosine
0.9085
45.058
45
0.8661
0
258
2455
170
Cosine
0.8661
-2.017
-2
0.78
0
2675
2686
335
Cosine
0.78
-84.094
-84
0.9634
0
120
679
21
Cosine
0.9634
14.016
14
0.9787
0
120
2419
21
Cosine
0.9787
-98.11
-98
0.9706
0
120
225
21
Cosine
0.9706
42.047
42
0.98
0
120
4
21
Cosine
0.98
56.063
56
0.98
0
120
27
21
Cosine
0.98
14.016
14
0.9819
0
120
61
21
Cosine
0.9819
70.078
70
0.9765
0
120
6
21
Cosine
0.9765
-28.031
-28
0.9774
0
120
178
21
Cosine
0.9774
11.964
11
0.87
0
157
270
17
Cosine
0.87
36.036
36
0.8663
0
157
155
17
Cosine
0.8663
14.016
14
0.9403
0
2955
2023
29
Cosine
0.9403
-76.031
-76
0.9064
0
2955
2971
29
Cosine
0.9064
-42.047
-42
0.9402
0
551
163
116
Cosine
0.9402
-2.016
-2
0.8985
0
551
654
116
Cosine
0.8985
-76.031
-76
0.893
0
551
323
116
Cosine
0.893
-50.016
-50
0.8825
0
551
4660
116
Cosine
0.8825
33.984
33
0.9406
0
551
787
116
Cosine
0.9406
-16.032
-16
0.9085
0
551
1951
116
Cosine
0.9085
28.031
28
0.9547
0
852
85
16
Cosine
0.9547
28.031
28
0.9536
0
852
278
16
Cosine
0.9536
14.016
14
0.9499
0
852
692
16
Cosine
0.9499
-30.011
-30
0.7712
0
994
1384
189
Cosine
0.7712
175.008
175
0.748
0
994
1810
189
Cosine
0.748
-15.995
-15
0.8853
0
994
3724
189
Cosine
0.8853
0.0
0
0.9203
0
3901
4071
278
Cosine
0.9203
182.106
182
0.8858
0
388
2402
24
Cosine
0.8858
-148.121
-148
0.888
0
388
345
24
Cosine
0.888
3.995
3
0.8644
0
388
318
24
Cosine
0.8644
0.013
0
0.9595
0
388
476
24
Cosine
0.9595
182.106
182
0.8895
0
388
861
24
Cosine
0.8895
148.121
148
0.9129
0
388
2361
24
Cosine
0.9129
28.031
28
0.8928
0
478
109
3
Cosine
0.8928
12.036
12
0.9087
0
478
234
3
Cosine
0.9087
-0.0
0
0.9553
0
478
400
3
Cosine
0.9553
15.995
15
0.8956
0
478
681
3
Cosine
0.8956
28.031
28
0.9034
0
478
968
3
Cosine
0.9034
-14.016
-14
0.9069
0
478
1705
3
Cosine
0.9069
521.355
521
0.782
0
529
764
28
Cosine
0.782
12.0
12
0.9047
0
529
742
28
Cosine
0.9047
-172.075
-172
0.8427
0
529
1042
28
Cosine
0.8427
120.044
120
0.7813
0
529
104
28
Cosine
0.7813
120.04
120
0.8233
0
529
1176
28
Cosine
0.8233
14.016
14
0.9328
0
1966
1660
172
Cosine
0.9328
88.053
88
0.7637
0
1218
2119
42
Cosine
0.7637
44.026
44
0.9764
0
1218
2270
42
Cosine
0.9764
44.026
44
0.9728
0
1218
916
42
Cosine
0.9728
-132.079
-132
0.935
0
1218
1362
42
Cosine
0.935
88.053
88
0.9544
0
1218
1072
42
Cosine
0.9544
-220.131
-220
0.8481
0
1218
1817
42
Cosine
0.8481
-176.105
-176
0.9086
0
1218
1582
42
Cosine
0.9086
-28.031
-28
0.8682
0
1218
1188
42
Cosine
0.8682
-14.015
-14
0.9748
0
1218
944
42
Cosine
0.9748
-88.053
-88
0.9357
0
1304
1799
42
Cosine
0.9357
-44.026
-44
0.9393
0
1304
1285
42
Cosine
0.9393
14.016
14
0.9726
0
1304
906
42
Cosine
0.9726
51.943
51
0.8446
0
1304
1001
42
Cosine
0.8446
-132.079
-132
0.8426
0
1304
1188
42
Cosine
0.8426
88.053
88
0.8879
0
1304
1349
42
Cosine
0.8879
-28.031
-28
0.9482
0
1304
1362
42
Cosine
0.9482
-44.026
-44
0.9583
0
1304
1440
42
Cosine
0.9583
168.189
168
0.8754
0
1304
3665
42
Cosine
0.8754
-44.026
-44
0.8628
0
1304
3938
42
Cosine
0.8628
-2.015
-2
0.9631
0
2939
4002
16
Cosine
0.9631
-16.032
-16
0.9669
0
2939
3645
16
Cosine
0.9669
-58.041
-58
0.9282
0
2939
101
16
Cosine
0.9282
0.0
0
0.9776
0
2939
621
16
Cosine
0.9776
-58.041
-58
0.9294
0
2939
694
16
Cosine
0.9294
-89.048
-89
0.9381
0
2939
2941
16
Cosine
0.9381
-36.001
-36
0.9521
0
2939
2953
16
Cosine
0.9521
-2.006
-2
0.9352
0
2939
4729
16
Cosine
0.9352
14.265
14
0.7509
0
859
236
78
Cosine
0.7509
-13.73
-13
0.7808
0
859
468
78
Cosine
0.7808
-32.275
-32
0.8037
0
859
1180
78
Cosine
0.8037
27.746
27
0.8041
0
859
1634
78
Cosine
0.8041
-0.249
0
0.8658
0
859
3133
78
Cosine
0.8658
-28.031
-28
0.9759
0
562
1251
173
Cosine
0.9759
-48.021
-48
0.786
0
1514
1230
494
Cosine
0.786
-81.095
-81
0.8987
0
449
188
108
Cosine
0.8987
-8.015
-8
0.8752
0
3343
3058
24
Cosine
0.8752
-285.172
-285
0.9589
0
806
38
21
Cosine
0.9589
49.053
49
0.8553
0
245
450
78
Cosine
0.8553
17.026
17
0.9191
0
245
630
78
Cosine
0.9191
77.047
77
0.7385
0
245
927
78
Cosine
0.7385
-28.031
-28
0.8505
0
245
1049
78
Cosine
0.8505
-26.016
-26
0.7712
0
245
2022
78
Cosine
0.7712
2.016
2
0.7407
0
245
2203
78
Cosine
0.7407
-26.016
-26
0.9303
0
4193
2469
16
Cosine
0.9303
31.99
31
0.9363
0
4193
324
16
Cosine
0.9363
0.0
0
0.9931
0
4193
295
16
Cosine
0.9931
-18.01
-18
0.9217
0
4193
16
16
Cosine
0.9217
129.042
129
0.9281
0
4193
611
16
Cosine
0.9281
0.0
0
0.7926
0
1117
1164
12
Cosine
0.7926
29.088
29
0.9229
0
842
505
21
Cosine
0.9229
-1.979
-1
0.9418
0
842
7
21
Cosine
0.9418
-1.979
-1
0.9431
0
842
48
21
Cosine
0.9431
-56.063
-56
0.9658
0
1333
505
21
Cosine
0.9658
14.016
14
0.9658
0
1333
2987
21
Cosine
0.9658
-28.031
-28
0.9635
0
1333
3184
21
Cosine
0.9635
42.047
42
0.9607
0
1333
2299
21
Cosine
0.9607
-28.031
-28
0.9614
0
1333
142
21
Cosine
0.9614
10.021
10
0.9247
0
1333
2931
21
Cosine
0.9247
17.027
17
0.8739
0
1311
2479
86
Cosine
0.8739
28.031
28
0.9736
0
1311
783
86
Cosine
0.9736
-33.985
-33
0.8867
0
1378
689
50
Cosine
0.8867
-48.001
-48
0.8636
0
1378
908
50
Cosine
0.8636
-14.016
-14
0.8945
0
1378
4929
50
Cosine
0.8945
-14.097
-14
0.7256
0
754
435
53
Cosine
0.7256
-15.995
-15
0.9314
0
711
150
252
Cosine
0.9314
58.006
58
0.8019
0
4625
2801
50
Cosine
0.8019
72.021
72
0.8635
0
4625
2289
50
Cosine
0.8635
0.0
0
0.924
0
2262
147
16
Cosine
0.924
-14.016
-14
0.9358
0
1892
514
194
Cosine
0.9358
14.016
14
0.9067
0
1892
203
194
Cosine
0.9067
-48.0
-48
0.9516
0
235
218
111
Cosine
0.9516
-33.984
-33
0.9289
0
235
213
111
Cosine
0.9289
-33.984
-33
0.9421
0
235
42
111
Cosine
0.9421
-48.0
-48
0.9289
0
235
55
111
Cosine
0.9289
-34.021
-34
0.9219
0
2957
59
20
Cosine
0.9219
-33.984
-33
0.7715
0
1068
1048
18
Cosine
0.7715
-14.016
-14
0.7771
0
1068
4753
18
Cosine
0.7771
-0.995
0
0.9107
0
519
1854
119
Cosine
0.9107
25.032
25
0.9108
0
519
2141
119
Cosine
0.9108
-0.023
0
0.9419
0
1009
1683
276
Cosine
0.9419
-2.016
-2
0.9717
0
1550
728
97
Cosine
0.9717
1.979
1
0.9289
0
1550
1423
97
Cosine
0.9289
15.995
15
0.9185
0
1550
2952
97
Cosine
0.9185
28.031
28
0.9892
0
505
142
21
Cosine
0.9892
-14.016
-14
0.991
0
505
2299
21
Cosine
0.991
28.031
28
0.9238
0
505
2492
21
Cosine
0.9238
-15.995
-15
0.9359
0
505
2569
21
Cosine
0.9359
-42.047
-42
0.9957
0
505
2987
21
Cosine
0.9957
-84.094
-84
0.9913
0
505
3184
21
Cosine
0.9913
-49.979
-49
0.9393
0
290
88
59
Cosine
0.9393
-49.09
-49
0.8487
0
290
4181
59
Cosine
0.8487
1.032
1
0.7251
0
122
119
245
Cosine
0.7251
-40.954
-40
0.9214
0
1273
951
16
Cosine
0.9214
-97.016
-97
0.9398
0
1273
115
16
Cosine
0.9398
28.032
28
0.9531
0
203
514
194
Cosine
0.9531
-146.059
-146
0.835
0
596
257
1
Cosine
0.835
28.031
28
0.8684
0
596
606
1
Cosine
0.8684
-0.009
0
0.9806
0
2507
2673
105
Cosine
0.9806
48.0
48
0.8964
0
386
370
484
Cosine
0.8964
-21.982
-21
0.7426
0
269
146
284
Cosine
0.7426
97.977
97
0.7364
0
269
254
284
Cosine
0.7364
62.001
62
0.7786
0
269
426
284
Cosine
0.7786
-35.976
-35
0.7701
0
269
664
284
Cosine
0.7701
34.021
34
0.9674
0
71
324
16
Cosine
0.9674
15.992
15
0.9822
0
71
2942
16
Cosine
0.9822
32.023
32
0.9663
0
71
2935
16
Cosine
0.9663
49.979
49
0.9819
0
71
100
16
Cosine
0.9819
15.995
15
0.9948
0
71
115
16
Cosine
0.9948
-15.995
-15
0.9538
0
71
14
16
Cosine
0.9538
-278.126
-278
0.928
0
71
3018
16
Cosine
0.928
63.995
63
0.9781
0
71
91
16
Cosine
0.9781
63.995
63
0.9902
0
71
280
16
Cosine
0.9902
-49.979
-49
0.9804
0
71
40
16
Cosine
0.9804
-28.031
-28
0.8996
0
2073
2420
32
Cosine
0.8996
-46.041
-46
0.9262
0
4196
238
16
Cosine
0.9262
61.98
61
0.9365
0
4196
3018
16
Cosine
0.9365
-14.016
-14
0.9362
0
518
501
24
Cosine
0.9362
-99.068
-99
0.8713
0
518
358
24
Cosine
0.8713
113.084
113
0.9042
0
518
1209
24
Cosine
0.9042
14.016
14
0.9285
0
518
310
24
Cosine
0.9285
57.057
57
0.8617
0
518
2214
24
Cosine
0.8617
-33.984
-33
0.8854
0
1103
294
35
Cosine
0.8854
0.0
0
0.9926
0
490
472
88
Cosine
0.9926
0.0
0
0.9482
0
414
816
37
Cosine
0.9482
12.024
12
0.8384
0
3054
3056
214
Cosine
0.8384
-14.016
-14
0.9238
0
3054
3306
214
Cosine
0.9238
2.016
2
0.822
0
1463
407
28
Cosine
0.822
-146.058
-146
0.8071
0
1463
1182
28
Cosine
0.8071
-14.017
-14
0.8664
0
1463
46
28
Cosine
0.8664
-26.017
-26
0.8213
0
1463
102
28
Cosine
0.8213
14.015
14
0.8728
0
1463
325
28
Cosine
0.8728
42.046
42
0.8308
0
1463
1715
28
Cosine
0.8308
-129.079
-129
0.9111
0
870
3004
49
Cosine
0.9111
-147.069
-147
0.9303
0
870
253
49
Cosine
0.9303
-0.001
0
0.9679
0
870
4739
49
Cosine
0.9679
-99.068
-99
0.9423
0
870
4229
49
Cosine
0.9423
-50.016
-50
0.9067
0
2951
3189
156
Cosine
0.9067
-57.022
-57
0.8017
0
262
3026
221
Cosine
0.8017
26.016
26
0.9256
0
295
2469
16
Cosine
0.9256
-31.99
-31
0.9291
0
295
324
16
Cosine
0.9291
39.066
39
0.8726
0
614
273
24
Cosine
0.8726
-113.082
-113
0.8865
0
614
1105
24
Cosine
0.8865
-0.984
0
0.8097
0
138
176
323
Cosine
0.8097
203.122
203
0.9844
0
2964
1416
359
Cosine
0.9844
17.027
17
0.8848
0
221
354
437
Cosine
0.8848
113.083
113
0.842
0
343
3021
214
Cosine
0.842
0.0
0
0.9739
0
343
2923
214
Cosine
0.9739
16.031
16
0.8926
0
164
56
87
Cosine
0.8926
-33.984
-33
0.9235
0
44
22
171
Cosine
0.9235
-48.0
-48
0.8921
0
44
35
171
Cosine
0.8921
-50.016
-50
0.8887
0
44
36
171
Cosine
0.8887
-15.995
-15
0.9268
0
44
76
171
Cosine
0.9268
-28.032
-28
0.9357
0
1229
3001
433
Cosine
0.9357
-6.992
-6
0.9033
0
194
2424
140
Cosine
0.9033
-32.005
-32
0.794
0
194
1017
140
Cosine
0.794
-4.994
-4
0.8851
0
194
2418
140
Cosine
0.8851
-41.027
-41
0.8635
0
194
237
140
Cosine
0.8635
-29.974
-29
0.9482
0
51
520
70
Cosine
0.9482
-63.995
-63
0.9421
0
51
3146
70
Cosine
0.9421
-14.016
-14
0.9289
0
51
2010
70
Cosine
0.9289
-42.047
-42
0.9554
0
2933
2924
120
Cosine
0.9554
0.0
0
0.9416
0
2565
3969
157
Cosine
0.9416
-0.036
0
0.9545
0
2565
3541
157
Cosine
0.9545
-0.036
0
0.9477
0
2565
4061
157
Cosine
0.9477
0.061
0
0.8979
0
2565
1615
157
Cosine
0.8979
0.0
0
0.9255
0
2565
2827
157
Cosine
0.9255
33.984
33
0.9596
0
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154
16
Cosine
0.9596
-33.984
-33
0.9735
0
69
247
16
Cosine
0.9735
26.04
26
0.9588
0
69
2298
16
Cosine
0.9588
-15.959
-15
0.9503
0
69
340
16
Cosine
0.9503
12.037
12
0.9534
0
69
709
16
Cosine
0.9534
50.016
50
0.9522
0
69
100
16
Cosine
0.9522
-33.985
-33
0.9532
0
69
2500
16
Cosine
0.9532
48.053
48
0.9481
0
69
828
16
Cosine
0.9481
-50.015
-50
0.9481
0
69
40
16
Cosine
0.9481
-17.972
-17
0.7327
0
139
131
241
Cosine
0.7327
14.016
14
0.934
0
249
396
77
Cosine
0.934
58.005
58
0.896
0
249
2322
77
Cosine
0.896
42.047
42
0.9223
0
2492
2299
21
Cosine
0.9223
2.013
2
0.8982
0
257
271
1
Cosine
0.8982
28.031
28
0.8599
0
257
297
1
Cosine
0.8599
56.061
56
0.9354
0
257
712
1
Cosine
0.9354
14.014
14
0.7521
0
257
799
1
Cosine
0.7521
44.026
44
0.9376
0
1349
1285
42
Cosine
0.9376
14.016
14
0.9053
0
1349
743
42
Cosine
0.9053
28.031
28
0.8971
0
1349
916
42
Cosine
0.8971
-132.079
-132
0.9037
0
1349
988
42
Cosine
0.9037
-88.053
-88
0.9529
0
1349
1046
42
Cosine
0.9529
-44.026
-44
0.9696
0
1349
1188
42
Cosine
0.9696
-132.079
-132
0.826
0
1349
1440
42
Cosine
0.826
-132.078
-132
0.8959
0
1349
3938
42
Cosine
0.8959
-172.146
-172
0.822
0
1349
4133
42
Cosine
0.822
0.533
0
0.9068
0
4480
1114
384
Cosine
0.9068
-17.003
-17
0.7787
0
1844
1733
145
Cosine
0.7787
-18.011
-18
0.8071
0
1844
1718
145
Cosine
0.8071
-27.995
-27
0.847
0
1844
2151
145
Cosine
0.847
-5.008
-5
0.7479
0
1844
2604
145
Cosine
0.7479
-84.094
-84
0.8868
0
1606
1561
230
Cosine
0.8868
70.006
70
0.7615
0
1049
1010
78
Cosine
0.7615
-12.0
-12
0.7294
0
1049
1690
78
Cosine
0.7294
-16.031
-16
0.7211
0
1049
94
78
Cosine
0.7211
49.053
49
0.8625
0
1049
1979
78
Cosine
0.8625
2.016
2
0.8012
0
1049
2022
78
Cosine
0.8012
28.032
28
0.9209
0
400
109
3
Cosine
0.9209
12.037
12
0.9032
0
400
234
3
Cosine
0.9032
15.995
15
0.8977
0
400
681
3
Cosine
0.8977
-54.048
-54
0.8907
0
400
758
3
Cosine
0.8907
28.031
28
0.8992
0
400
968
3
Cosine
0.8992
-14.016
-14
0.9415
0
400
1705
3
Cosine
0.9415
2.016
2
0.9572
0
2456
745
151
Cosine
0.9572
33.985
33
0.7827
0
2698
1481
13
Cosine
0.7827
0.0
0
0.8897
0
1884
681
3
Cosine
0.8897
41.026
41
0.9443
0
1019
738
249
Cosine
0.9443
-0.016
0
0.998
0
1125
352
165
Cosine
0.998
3.0
3
0.8408
0
1763
1524
328
Cosine
0.8408
-5.999
-5
0.9025
0
1763
4038
328
Cosine
0.9025
-99.066
-99
0.8773
0
198
3019
347
Cosine
0.8773
1.02
1
0.8653
0
3503
1398
157
Cosine
0.8653
-12.995
-12
0.8951
0
3503
3957
157
Cosine
0.8951
-0.0
0
0.983
0
3503
4060
157
Cosine
0.983
0.0
0
0.997
0
3503
4834
157
Cosine
0.997
113.085
113
0.8539
0
1137
523
295
Cosine
0.8539
14.015
14
0.9088
0
3569
850
116
Cosine
0.9088
-48.001
-48
0.9122
0
3569
1327
116
Cosine
0.9122
-28.032
-28
0.9152
0
3569
583
116
Cosine
0.9152
-0.0
0
0.8892
0
3569
2592
116
Cosine
0.8892
-29.015
-29
0.8806
0
2937
3642
65
Cosine
0.8806
15.995
15
0.8839
0
2937
899
65
Cosine
0.8839
33.984
33
0.8943
0
2937
2976
65
Cosine
0.8943
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-33
0.9398
0
2937
608
65
Cosine
0.9398
-28.034
-28
0.8573
0
1119
742
28
Cosine
0.8573
160.075
160
0.8599
0
1119
260
28
Cosine
0.8599
-132.043
-132
0.8332
0
1119
619
28
Cosine
0.8332
42.047
42
0.9289
0
620
55
111
Cosine
0.9289
-42.047
-42
0.8824
0
968
1705
3
Cosine
0.8824
-0.012
0
0.987
0
660
2436
390
Cosine
0.987
176.105
176
0.8881
0
1362
2270
42
Cosine
0.8881
-88.053
-88
0.9773
0
1362
916
42
Cosine
0.9773
-14.015
-14
0.9729
0
1362
906
42
Cosine
0.9729
-44.026
-44
0.99
0
1362
1072
42
Cosine
0.99
-44.026
-44
0.9563
0
1362
1582
42
Cosine
0.9563
-88.052
-88
0.8858
0
1362
1817
42
Cosine
0.8858
196.22
196
0.8926
0
1362
3665
42
Cosine
0.8926
14.016
14
0.8941
0
1695
2682
442
Cosine
0.8941
52.031
52
0.8086
0
3974
303
23
Cosine
0.8086
-18.01
-18
0.831
0
3428
3648
495
Cosine
0.831
0.985
0
0.7732
0
184
130
380
Cosine
0.7732
18.026
18
0.9048
0
356
264
334
Cosine
0.9048
-15.958
-15
0.9643
0
324
40
16
Cosine
0.9643
-29.974
-29
0.9601
0
324
91
16
Cosine
0.9601
-15.959
-15
0.9559
0
324
100
16
Cosine
0.9559
-29.974
-29
0.9732
0
324
280
16
Cosine
0.9732
-50.016
-50
0.9337
0
324
340
16
Cosine
0.9337
-1.998
-1
0.9531
0
324
2935
16
Cosine
0.9531
-18.029
-18
0.9541
0
324
2942
16
Cosine
0.9541
-27.996
-27
0.8748
0
1783
486
24
Cosine
0.8748
-66.0
-66
0.9276
0
19
3059
100
Cosine
0.9276
-2.016
-2
0.9459
0
19
158
100
Cosine
0.9459
16.031
16
0.9599
0
19
13
100
Cosine
0.9599
-66.011
-66
0.9337
0
19
305
100
Cosine
0.9337
15.958
15
0.9004
0
1545
3225
14
Cosine
0.9004
58.005
58
0.8837
0
1545
3357
14
Cosine
0.8837
14.015
14
0.9041
0
3726
2402
24
Cosine
0.9041
14.015
14
0.8968
0
3726
861
24
Cosine
0.8968
-343.247
-343
0.9336
0
615
310
24
Cosine
0.9336
-0.0
0
0.9185
0
1326
2346
28
Cosine
0.9185
118.026
118
0.8549
0
1326
684
28
Cosine
0.8549
163.085
163
0.864
0
1326
474
28
Cosine
0.864
-11.005
-11
0.8752
0
1326
570
28
Cosine
0.8752
-11.005
-11
0.8682
0
1326
993
28
Cosine
0.8682
-327.216
-327
0.9598
0
55
900
111
Cosine
0.9598
-15.958
-15
0.9217
0
55
261
111
Cosine
0.9217
-0.986
0
0.7779
0
121
2191
268
Cosine
0.7779
-0.057
0
0.906
0
111
3069
68
Cosine
0.906
62.0
62
0.9034
0
254
664
284
Cosine
0.9034
-119.959
-119
0.7838
0
254
146
284
Cosine
0.7838
102.018
102
0.7529
0
254
838
284
Cosine
0.7529
-0.0
0
0.9134
0
2647
3985
303
Cosine
0.9134
345.263
345
0.9099
0
374
2308
73
Cosine
0.9099
-0.0
0
0.9355
0
374
4268
73
Cosine
0.9355
0.0
0
0.9246
0
2193
9
21
Cosine
0.9246
-14.016
-14
0.9298
0
2193
92
21
Cosine
0.9298
56.062
56
0.9619
0
2193
1018
21
Cosine
0.9619
-28.031
-28
0.9239
0
2193
21
21
Cosine
0.9239
28.031
28
0.9832
0
2193
54
21
Cosine
0.9832
-42.047
-42
0.9294
0
2193
180
21
Cosine
0.9294
14.016
14
0.951
0
2193
600
21
Cosine
0.951
2.0
2
0.8679
0
821
1000
266
Cosine
0.8679
-165.079
-165
0.8766
0
785
256
257
Cosine
0.8766
56.063
56
0.7701
0
559
523
295
Cosine
0.7701
14.016
14
0.8715
0
559
135
295
Cosine
0.8715
28.031
28
0.8143
0
559
103
295
Cosine
0.8143
-90.047
-90
0.7747
0
559
1030
295
Cosine
0.7747
-273.173
-273
0.9805
0
173
27
21
Cosine
0.9805
15.036
15
0.9234
0
3332
1398
157
Cosine
0.9234
15.994
15
0.94
0
618
1256
204
Cosine
0.94
-271.194
-271
0.9511
0
2920
140
21
Cosine
0.9511
14.016
14
0.9698
0
1842
1216
180
Cosine
0.9698
-33.984
-33
0.9725
0
90
155
17
Cosine
0.9725
14.016
14
0.9498
0
90
270
17
Cosine
0.9498
-49.979
-49
0.953
0
90
433
17
Cosine
0.953
16.031
16
0.8868
0
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2770
17
Cosine
0.8868
-45.058
-45
0.8879
0
3660
1260
125
Cosine
0.8879
20.042
20
0.9703
0
496
68
21
Cosine
0.9703
-47.089
-47
0.9412
0
496
1269
21
Cosine
0.9412
134.996
134
0.936
0
496
79
21
Cosine
0.936
43.058
43
0.9513
0
496
159
21
Cosine
0.9513
76.104
76
0.9502
0
496
274
21
Cosine
0.9502
-15.995
-15
0.9659
0
496
437
21
Cosine
0.9659
-26.015
-26
0.7512
0
3395
1415
132
Cosine
0.7512
0.0
0
0.9304
0
2859
602
16
Cosine
0.9304
0.0
0
0.9657
0
2859
3246
16
Cosine
0.9657
-42.047
-42
0.9823
0
679
4
21
Cosine
0.9823
-14.016
-14
0.9881
0
679
6
21
Cosine
0.9881
-28.031
-28
0.9874
0
679
27
21
Cosine
0.9874
-70.078
-70
0.973
0
679
61
21
Cosine
0.973
-56.063
-56
0.9842
0
679
178
21
Cosine
0.9842
14.016
14
0.9866
0
679
225
21
Cosine
0.9866
98.11
98
0.953
0
679
2419
21
Cosine
0.953
-0.0
0
0.9277
0
1095
1437
207
Cosine
0.9277
91.042
91
0.7409
0
1933
1415
132
Cosine
0.7409
99.069
99
0.8976
0
1329
805
429
Cosine
0.8976
-16.031
-16
0.8879
0
3321
2645
17
Cosine
0.8879
-12.036
-12
0.8857
0
3321
3039
17
Cosine
0.8857
-33.985
-33
0.9077
0
3321
4026
17
Cosine
0.9077
-1.031
-1
0.8906
0
3321
3139
17
Cosine
0.8906
14.015
14
0.938
0
452
86
21
Cosine
0.938
-17.116
-17
0.9382
0
913
1768
21
Cosine
0.9382
28.031
28
0.9376
0
292
10
28
Cosine
0.9376
56.062
56
0.9721
0
292
17
28
Cosine
0.9721
54.045
54
0.9325
0
292
46
28
Cosine
0.9325
-146.058
-146
0.8995
0
292
74
28
Cosine
0.8995
42.045
42
0.9673
0
292
102
28
Cosine
0.9673
84.094
84
0.8871
0
292
177
28
Cosine
0.8871
11.005
11
0.8158
0
292
242
28
Cosine
0.8158
-70.077
-70
0.8309
0
292
407
28
Cosine
0.8309
-14.015
-14
0.9767
0
292
460
28
Cosine
0.9767
-26.015
-26
0.8875
0
292
1715
28
Cosine
0.8875
14.015
14
0.9441
0
3081
2645
17
Cosine
0.9441
26.016
26
0.8833
0
3081
4203
17
Cosine
0.8833
2.016
2
0.9109
0
3081
2997
17
Cosine
0.9109
-66.011
-66
0.8932
0
3081
3118
17
Cosine
0.8932
-97.053
-97
0.9032
0
3081
270
17
Cosine
0.9032
-49.053
-49
0.8697
0
3081
155
17
Cosine
0.8697
0.0
0
0.9601
0
308
2929
16
Cosine
0.9601
-262.132
-262
0.9494
0
308
14
16
Cosine
0.9494
20.005
20
0.9276
0
308
978
16
Cosine
0.9276
-32.026
-32
0.9283
0
308
3028
16
Cosine
0.9283
17.953
17
0.9456
0
308
4001
16
Cosine
0.9456
146.058
146
0.902
0
319
5
28
Cosine
0.902
-17.026
-17
0.973
0
319
64
28
Cosine
0.973
650.385
650
0.842
0
319
82
28
Cosine
0.842
-17.026
-17
0.9744
0
319
98
28
Cosine
0.9744
129.031
129
0.9896
0
319
212
28
Cosine
0.9896
-0.001
0
0.9941
0
319
350
28
Cosine
0.9941
35.037
35
0.942
0
319
421
28
Cosine
0.942
205.167
205
0.8414
0
319
487
28
Cosine
0.8414
205.167
205
0.8375
0
319
721
28
Cosine
0.8375
35.036
35
0.9326
0
319
784
28
Cosine
0.9326
33.984
33
0.9827
0
340
4101
16
Cosine
0.9827
15.995
15
0.9554
0
340
335
16
Cosine
0.9554
18.026
18
0.9533
0
340
247
16
Cosine
0.9533
41.999
41
0.9423
0
340
2298
16
Cosine
0.9423
27.996
27
0.9593
0
340
709
16
Cosine
0.9593
-1.998
-1
0.925
0
340
917
16
Cosine
0.925
-18.026
-18
0.9461
0
340
2500
16
Cosine
0.9461
-518.346
-518
0.8871
0
868
156
48
Cosine
0.8871
160.074
160
0.8673
0
868
609
48
Cosine
0.8673
28.031
28
0.9219
0
1330
380
320
Cosine
0.9219
-33.987
-33
0.9678
0
40
2942
16
Cosine
0.9678
-17.956
-17
0.9654
0
40
2935
16
Cosine
0.9654
0.0
0
0.9776
0
40
100
16
Cosine
0.9776
-33.984
-33
0.98
0
40
115
16
Cosine
0.98
33.984
33
0.9474
0
40
14
16
Cosine
0.9474
14.016
14
0.982
0
40
91
16
Cosine
0.982
14.016
14
0.9867
0
40
280
16
Cosine
0.9867
76.031
76
0.9481
0
247
495
16
Cosine
0.9481
46.021
46
0.9524
0
247
709
16
Cosine
0.9524
16.028
16
0.9385
0
247
917
16
Cosine
0.9385
147.068
147
0.9415
0
247
2188
16
Cosine
0.9415
60.025
60
0.9565
0
247
2298
16
Cosine
0.9565
-0.0
0
0.981
0
247
2500
16
Cosine
0.981
50.012
50
0.9509
0
247
2942
16
Cosine
0.9509
88.052
88
0.7576
0
4153
4132
42
Cosine
0.7576
44.026
44
0.8479
0
4153
4133
42
Cosine
0.8479
-14.016
-14
0.9891
0
142
2987
21
Cosine
0.9891
-56.062
-56
0.9904
0
142
3184
21
Cosine
0.9904
-269.179
-269
0.9602
0
142
2921
21
Cosine
0.9602
14.016
14
0.9833
0
142
2299
21
Cosine
0.9833
10.021
10
0.9443
0
142
2917
21
Cosine
0.9443
14.016
14
0.9269
0
2592
850
116
Cosine
0.9269
-48.0
-48
0.9327
0
2592
1327
116
Cosine
0.9327
-28.032
-28
0.9159
0
2592
583
116
Cosine
0.9159
-15.995
-15
0.8944
0
2592
4603
116
Cosine
0.8944
159.135
159
0.8431
0
2355
3207
198
Cosine
0.8431
42.048
42
0.9375
0
2617
181
16
Cosine
0.9375
56.063
56
0.9343
0
2617
93
16
Cosine
0.9343
56.064
56
0.9446
0
2617
73
16
Cosine
0.9446
-1.004
-1
0.963
0
2931
4093
21
Cosine
0.963
26.016
26
0.9247
0
2931
2557
21
Cosine
0.9247
-28.031
-28
0.9973
0
2931
2917
21
Cosine
0.9973
-30.01
-30
0.8699
0
4085
4019
36
Cosine
0.8699
-62.037
-62
0.8705
0
4085
4030
36
Cosine
0.8705
-30.047
-30
0.8455
0
1158
106
48
Cosine
0.8455
70.079
70
0.8164
0
1158
1387
48
Cosine
0.8164
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-56
0.8412
0
1158
37
48
Cosine
0.8412
-28.033
-28
0.9768
0
1158
83
48
Cosine
0.9768
118.025
118
0.8188
0
1158
156
48
Cosine
0.8188
-42.048
-42
0.8905
0
1158
219
48
Cosine
0.8905
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-84
0.8639
0
1158
263
48
Cosine
0.8639
146.056
146
0.8966
0
1158
756
48
Cosine
0.8966
2.016
2
0.8495
0
1158
1719
48
Cosine
0.8495
14.017
14
0.8283
0
1158
1877
48
Cosine
0.8283
0.984
0
0.9318
0
1075
282
133
Cosine
0.9318
55.005
55
0.7096
0
193
378
355
Cosine
0.7096
-244.179
-244
0.813
0
4190
1569
142
Cosine
0.813
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-244
0.8228
0
4190
2144
142
Cosine
0.8228
33.973
33
0.9309
0
1005
147
16
Cosine
0.9309
-0.012
0
0.9445
0
1005
73
16
Cosine
0.9445
-0.012
0
0.966
0
1005
93
16
Cosine
0.966
-14.028
-14
0.9357
0
1005
181
16
Cosine
0.9357
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-14
0.9236
0
1005
215
16
Cosine
0.9236
-0.009
0
0.9805
0
1005
4706
16
Cosine
0.9805
0.0
0
0.9394
0
200
32
16
Cosine
0.9394
33.984
33
0.9461
0
200
80
16
Cosine
0.9461
0.0
0
1.0
0
200
141
16
Cosine
1.0
0.053
0
0.9408
0
200
828
16
Cosine
0.9408
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-33
0.9352
0
200
2199
16
Cosine
0.9352
87.032
87
0.8795
0
798
3225
14
Cosine
0.8795
163.084
163
0.8627
0
98
5
28
Cosine
0.8627
-0.001
0
0.9951
0
98
64
28
Cosine
0.9951
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-146
0.9578
0
98
212
28
Cosine
0.9578
-17.027
-17
0.9663
0
98
350
28
Cosine
0.9663
206.152
206
0.8668
0
98
353
28
Cosine
0.8668
18.012
18
0.9747
0
98
421
28
Cosine
0.9747
188.142
188
0.8904
0
98
487
28
Cosine
0.8904
188.141
188
0.884
0
98
721
28
Cosine
0.884
18.011
18
0.9698
0
98
784
28
Cosine
0.9698
2.016
2
0.8775
0
3866
4858
93
Cosine
0.8775
-0.077
0
0.8843
0
3866
701
93
Cosine
0.8843
15.958
15
0.8655
0
3866
2385
93
Cosine
0.8655
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-262
0.9423
0
2929
115
16
Cosine
0.9423
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-32
0.9586
0
2929
3028
16
Cosine
0.9586
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-230
0.8511
0
525
4014
77
Cosine
0.8511
32.023
32
0.8215
0
525
300
77
Cosine
0.8215
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-1
0.8557
0
525
396
77
Cosine
0.8557
-0.0
0
0.8316
0
525
480
77
Cosine
0.8316
-50.016
-50
0.7127
0
965
427
81
Cosine
0.7127
-33.984
-33
0.9427
0
2945
2936
30
Cosine
0.9427
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-50
0.8409
0
2945
1080
30
Cosine
0.8409
-47.999
-47
0.8644
0
2945
2928
30
Cosine
0.8644
15.995
15
0.816
0
1223
170
220
Cosine
0.816
14.016
14
0.9443
0
294
417
35
Cosine
0.9443
-48.0
-48
0.9397
0
294
207
35
Cosine
0.9397
-57.958
-57
0.7922
0
146
664
284
Cosine
0.7922
40.018
40
0.8084
0
146
426
284
Cosine
0.8084
-17.94
-17
0.7956
0
146
838
284
Cosine
0.7956
-47.992
-47
0.9082
0
2787
2988
352
Cosine
0.9082
29.966
29
0.8406
0
2787
2004
352
Cosine
0.8406
-1.97
-1
0.8826
0
2787
4005
352
Cosine
0.8826
14.007
14
0.8547
0
2787
2204
352
Cosine
0.8547
-28.032
-28
0.9387
0
888
675
365
Cosine
0.9387
-28.031
-28
0.8429
0
1719
106
48
Cosine
0.8429
56.062
56
0.771
0
1719
1851
48
Cosine
0.771
12.001
12
0.7564
0
1719
1877
48
Cosine
0.7564
0.0
0
0.9803
0
4834
4060
157
Cosine
0.9803
1.02
1
0.867
0
4834
1398
157
Cosine
0.867
12.995
12
0.8949
0
4834
3957
157
Cosine
0.8949
108.094
108
0.9281
0
2092
1730
15
Cosine
0.9281
54.047
54
0.9486
0
2092
1551
15
Cosine
0.9486
-216.187
-216
0.7754
0
2092
4672
15
Cosine
0.7754
54.047
54
0.8245
0
2092
2392
15
Cosine
0.8245
-111.068
-111
0.8752
0
270
2645
17
Cosine
0.8752
-99.069
-99
0.8842
0
270
2997
17
Cosine
0.8842
-97.053
-97
0.8727
0
270
3031
17
Cosine
0.8727
-48.0
-48
0.9216
0
270
4704
17
Cosine
0.9216
48.0
48
0.9734
0
270
155
17
Cosine
0.9734
-63.995
-63
0.9277
0
270
433
17
Cosine
0.9277
2.016
2
0.883
0
270
2770
17
Cosine
0.883
-14.015
-14
0.8676
0
2928
2936
30
Cosine
0.8676
-391.246
-391
0.9432
0
3308
4303
24
Cosine
0.9432
-22.021
-22
0.8622
0
3308
1716
24
Cosine
0.8622
-147.069
-147
0.8707
0
3308
655
24
Cosine
0.8707
-50.017
-50
0.9153
0
3308
387
24
Cosine
0.9153
-113.085
-113
0.9098
0
3308
486
24
Cosine
0.9098
-50.017
-50
0.9396
0
3308
1241
24
Cosine
0.9396
-60.038
-60
0.9173
0
3308
2967
24
Cosine
0.9173
-42.047
-42
0.8637
0
3308
3140
24
Cosine
0.8637
-38.016
-38
0.9466
0
700
334
119
Cosine
0.9466
52.068
52
0.9081
0
700
2141
119
Cosine
0.9081
-52.031
-52
0.9245
0
700
363
119
Cosine
0.9245
18.01
18
0.9124
0
700
151
119
Cosine
0.9124
-315.154
-315
0.9834
0
342
58
383
Cosine
0.9834
195.195
195
0.9331
0
342
652
383
Cosine
0.9331
0.006
0
0.9975
0
3717
43
444
Cosine
0.9975
-1.003
-1
0.9189
0
4123
34
492
Cosine
0.9189
28.031
28
0.882
0
1724
1239
82
Cosine
0.882
63.995
63
0.8797
0
536
2476
154
Cosine
0.8797
49.979
49
0.9096
0
536
879
154
Cosine
0.9096
0.0
0
0.9754
0
78
442
103
Cosine
0.9754
-257.142
-257
0.8827
0
234
1380
3
Cosine
0.8827
28.031
28
0.97
0
234
681
3
Cosine
0.97
-1.979
-1
0.9139
0
234
1705
3
Cosine
0.9139
-63.995
-63
0.9706
0
265
4122
16
Cosine
0.9706
-0.003
0
0.9418
0
2942
14
16
Cosine
0.9418
-48.003
-48
0.973
0
2942
91
16
Cosine
0.973
-33.987
-33
0.9702
0
2942
100
16
Cosine
0.9702
-0.003
0
0.9873
0
2942
115
16
Cosine
0.9873
-48.003
-48
0.9785
0
2942
280
16
Cosine
0.9785
-16.031
-16
0.9607
0
2942
2935
16
Cosine
0.9607
14.016
14
0.8823
0
1705
109
3
Cosine
0.8823
44.026
44
0.8103
0
4132
4133
42
Cosine
0.8103
1.997
1
0.9145
0
2382
1982
312
Cosine
0.9145
-33.984
-33
0.9092
0
1425
1337
226
Cosine
0.9092
14.016
14
0.8017
0
1425
1657
226
Cosine
0.8017
650.384
650
0.8512
0
350
82
28
Cosine
0.8512
35.038
35
0.9301
0
350
421
28
Cosine
0.9301
129.03
129
0.9898
0
350
212
28
Cosine
0.9898
275.09
275
0.8345
0
350
242
28
Cosine
0.8345
146.057
146
0.9054
0
350
5
28
Cosine
0.9054
-17.028
-17
0.9628
0
350
64
28
Cosine
0.9628
35.038
35
0.9215
0
350
784
28
Cosine
0.9215
-28.031
-28
0.7336
0
236
2156
78
Cosine
0.7336
88.016
88
0.7219
0
236
1826
78
Cosine
0.7219
32.026
32
0.9235
0
236
224
78
Cosine
0.9235
14.016
14
0.9399
0
236
3133
78
Cosine
0.9399
49.053
49
0.8632
0
236
94
78
Cosine
0.8632
14.016
14
0.8977
0
236
1798
78
Cosine
0.8977
-18.011
-18
0.7793
0
236
1180
78
Cosine
0.7793
27.995
27
0.9839
0
236
468
78
Cosine
0.9839
42.011
42
0.8712
0
236
1634
78
Cosine
0.8712
-21.982
-21
0.719
0
1178
81
62
Cosine
0.719
12.036
12
0.9404
0
2919
2938
210
Cosine
0.9404
-331.21
-331
0.9254
0
2919
4188
210
Cosine
0.9254
-12.036
-12
0.942
0
2919
211
210
Cosine
0.942
0.001
0
0.9749
0
2919
624
210
Cosine
0.9749
-0.001
0
0.9749
0
2919
3602
210
Cosine
0.9749
-56.063
-56
0.9425
0
2919
2499
210
Cosine
0.9425
0.001
0
0.8462
0
3440
99
416
Cosine
0.8462
-50.016
-50
0.8692
0
2770
4704
17
Cosine
0.8692
50.016
50
0.8664
0
2770
155
17
Cosine
0.8664
66.01
66
0.8656
0
2770
433
17
Cosine
0.8656
-146.058
-146
0.8912
0
255
460
28
Cosine
0.8912
40.031
40
0.8872
0
255
23
28
Cosine
0.8872
-26.015
-26
0.8264
0
255
909
28
Cosine
0.8264
42.047
42
0.7972
0
255
2160
28
Cosine
0.7972
42.047
42
0.9444
0
255
15
28
Cosine
0.9444
28.031
28
0.9393
0
255
70
28
Cosine
0.9393
-14.016
-14
0.9501
0
255
74
28
Cosine
0.9501
-70.079
-70
0.835
0
255
474
28
Cosine
0.835
-12.0
-12
0.7723
0
255
644
28
Cosine
0.7723
26.027
26
0.9181
0
2141
1854
119
Cosine
0.9181
14.052
14
0.9276
0
2141
334
119
Cosine
0.9276
70.078
70
0.957
0
2141
151
119
Cosine
0.957
0.036
0
0.9412
0
2141
363
119
Cosine
0.9412
-17.063
-17
0.9416
0
2141
2155
119
Cosine
0.9416
14.016
14
0.9196
0
879
2476
154
Cosine
0.9196
16.028
16
0.9294
0
14
2935
16
Cosine
0.9294
33.984
33
0.9808
0
14
100
16
Cosine
0.9808
-0.0
0
0.9545
0
14
115
16
Cosine
0.9545
48.0
48
0.941
0
14
91
16
Cosine
0.941
48.0
48
0.9515
0
14
280
16
Cosine
0.9515
-50.016
-50
0.9319
0
14
2500
16
Cosine
0.9319
-476.3
-476
0.9055
0
2441
263
48
Cosine
0.9055
-30.048
-30
0.9038
0
756
326
48
Cosine
0.9038
70.077
70
0.7731
0
756
1848
48
Cosine
0.7731
-28.031
-28
0.9665
0
756
156
48
Cosine
0.9665
84.093
84
0.8969
0
756
1277
48
Cosine
0.8969
-56.062
-56
0.9014
0
756
133
48
Cosine
0.9014
14.016
14
0.8738
0
756
1692
48
Cosine
0.8738
-42.047
-42
0.915
0
756
586
48
Cosine
0.915
-113.083
-113
0.8898
0
819
2940
55
Cosine
0.8898
-12.036
-12
0.8981
0
819
3055
55
Cosine
0.8981
14.015
14
0.9696
0
1254
1799
42
Cosine
0.9696
-176.105
-176
0.9181
0
1254
743
42
Cosine
0.9181
-132.079
-132
0.9417
0
1254
768
42
Cosine
0.9417
-88.052
-88
0.9809
0
1254
906
42
Cosine
0.9809
-220.131
-220
0.8927
0
1254
944
42
Cosine
0.8927
-44.026
-44
0.9683
0
1254
1055
42
Cosine
0.9683
264.158
264
0.8666
0
1254
1335
42
Cosine
0.8666
-44.026
-44
0.9511
0
1254
1749
42
Cosine
0.9511
-14.015
-14
0.9672
0
1254
1817
42
Cosine
0.9672
182.204
182
0.8777
0
1254
2226
42
Cosine
0.8777
-0.0
0
0.9265
0
1482
693
297
Cosine
0.9265
2.015
2
0.8494
0
1482
473
297
Cosine
0.8494
-317.195
-317
0.9062
0
2959
312
166
Cosine
0.9062
87.089
87
0.8698
0
2959
2994
166
Cosine
0.8698
73.017
73
0.8932
0
2959
4177
166
Cosine
0.8932
-71.038
-71
0.8806
0
2192
2924
120
Cosine
0.8806
-57.022
-57
0.8885
0
2192
4003
120
Cosine
0.8885
16.031
16
0.9028
0
2192
2230
120
Cosine
0.9028
256.153
256
0.8052
0
3997
511
162
Cosine
0.8052
-45.057
-45
0.8905
0
132
2195
185
Cosine
0.8905
-16.033
-16
0.7949
0
1692
326
48
Cosine
0.7949
56.061
56
0.7196
0
1692
1848
48
Cosine
0.7196
-14.016
-14
0.8673
0
1692
156
48
Cosine
0.8673
-70.077
-70
0.8148
0
1692
1277
48
Cosine
0.8148
-28.032
-28
0.8867
0
1692
586
48
Cosine
0.8867
146.058
146
0.7423
0
1692
1877
48
Cosine
0.7423
14.016
14
0.7997
0
2203
94
78
Cosine
0.7997
-17.026
-17
0.8092
0
2203
1180
78
Cosine
0.8092
28.031
28
0.8343
0
2203
2022
78
Cosine
0.8343
-1.998
-1
0.9782
0
2418
2424
140
Cosine
0.9782
27.011
27
0.8433
0
2418
1017
140
Cosine
0.8433
2.016
2
0.9358
0
2916
45
40
Cosine
0.9358
16.031
16
0.9105
0
2916
28
40
Cosine
0.9105
50.015
50
0.9158
0
2916
29
40
Cosine
0.9158
66.01
66
0.8976
0
2916
65
40
Cosine
0.8976
-331.211
-331
0.9339
0
2967
4205
24
Cosine
0.9339
38.017
38
0.8872
0
2967
1716
24
Cosine
0.8872
-59.036
-59
0.8735
0
2967
1487
24
Cosine
0.8735
-42.011
-42
0.8683
0
2967
3058
24
Cosine
0.8683
10.021
10
0.9206
0
2967
1241
24
Cosine
0.9206
16.031
16
0.9103
0
2438
4142
476
Cosine
0.9103
-230.163
-230
0.9075
0
4014
480
77
Cosine
0.9075
-32.023
-32
0.9289
0
4014
4207
77
Cosine
0.9289
-50.003
-50
0.9495
0
1139
731
111
Cosine
0.9495
0.022
0
0.8759
0
441
1429
343
Cosine
0.8759
18.011
18
0.9514
0
183
1265
28
Cosine
0.9514
0.0
0
0.9941
0
183
208
28
Cosine
0.9941
2.016
2
0.8887
0
183
431
28
Cosine
0.8887
-17.027
-17
0.9639
0
183
570
28
Cosine
0.9639
2.016
2
0.894
0
183
591
28
Cosine
0.894
-146.057
-146
0.9326
0
183
684
28
Cosine
0.9326
14.016
14
0.9821
0
183
753
28
Cosine
0.9821
56.062
56
0.921
0
183
762
28
Cosine
0.921
14.017
14
0.9145
0
183
914
28
Cosine
0.9145
-17.026
-17
0.9649
0
183
993
28
Cosine
0.9649
-2.999
-2
0.8321
0
1524
4038
328
Cosine
0.8321
-45.058
-45
0.9198
0
1303
724
188
Cosine
0.9198
-28.031
-28
0.9468
0
1303
691
188
Cosine
0.9468
39.065
39
0.92
0
367
480
77
Cosine
0.92
41.063
41
0.906
0
367
396
77
Cosine
0.906
99.068
99
0.9053
0
367
1861
77
Cosine
0.9053
-7.042
-7
0.904
0
367
300
77
Cosine
0.904
14.016
14
0.9359
0
42
218
111
Cosine
0.9359
56.063
56
0.9404
0
42
2609
111
Cosine
0.9404
0.0
0
0.9786
0
42
213
111
Cosine
0.9786
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-341
0.9249
0
42
896
111
Cosine
0.9249
-210.137
-210
0.921
0
42
831
111
Cosine
0.921
168.188
168
0.8575
0
2226
1799
42
Cosine
0.8575
44.026
44
0.8884
0
2226
3203
42
Cosine
0.8884
-176.105
-176
0.8625
0
2226
3612
42
Cosine
0.8625
44.026
44
0.8709
0
2226
2213
42
Cosine
0.8709
-132.078
-132
0.8593
0
2226
1142
42
Cosine
0.8593
132.078
132
0.9224
0
2226
1001
42
Cosine
0.9224
88.053
88
0.8686
0
2226
3665
42
Cosine
0.8686
196.219
196
0.848
0
2226
1817
42
Cosine
0.848
88.052
88
0.9249
0
2226
807
42
Cosine
0.9249
-33.984
-33
0.9633
0
1203
465
56
Cosine
0.9633
14.016
14
0.9648
0
1203
658
56
Cosine
0.9648
33.984
33
0.9431
0
709
903
16
Cosine
0.9431
14.003
14
0.9647
0
709
2298
16
Cosine
0.9647
-0.012
0
0.9459
0
709
1210
16
Cosine
0.9459
-29.994
-29
0.9255
0
709
917
16
Cosine
0.9255
-46.022
-46
0.9441
0
709
2500
16
Cosine
0.9441
12.0
12
0.9614
0
219
106
48
Cosine
0.9614
28.031
28
0.883
0
219
1387
48
Cosine
0.883
-14.017
-14
0.9584
0
219
37
48
Cosine
0.9584
14.015
14
0.9925
0
219
83
48
Cosine
0.9925
42.047
42
0.9913
0
219
263
48
Cosine
0.9913
-146.057
-146
0.907
0
219
586
48
Cosine
0.907
-104.011
-104
0.8221
0
219
1277
48
Cosine
0.8221
-28.031
-28
0.8598
0
219
1877
48
Cosine
0.8598
12.995
12
0.8966
0
3957
4060
157
Cosine
0.8966
-9.984
-9
0.867
0
3957
3983
157
Cosine
0.867
26.013
26
0.9171
0
2454
1644
189
Cosine
0.9171
-14.015
-14
0.7834
0
1337
898
226
Cosine
0.7834
26.016
26
0.7104
0
464
124
369
Cosine
0.7104
0.0
0
0.9829
0
861
2402
24
Cosine
0.9829
-44.027
-44
0.9011
0
861
1487
24
Cosine
0.9011
2.016
2
0.8984
0
861
358
24
Cosine
0.8984
-50.016
-50
0.888
0
861
3214
24
Cosine
0.888
-113.084
-113
0.9338
0
861
1241
24
Cosine
0.9338
0.0
0
1.0
0
3608
4716
16
Cosine
1.0
0.001
0
0.9414
0
3608
4104
16
Cosine
0.9414
-33.984
-33
0.9774
0
467
110
14
Cosine
0.9774
-48.0
-48
0.9337
0
467
383
14
Cosine
0.9337
-15.995
-15
0.9766
0
467
574
14
Cosine
0.9766
-19.986
-19
0.7498
0
1062
113
243
Cosine
0.7498
-1.996
-1
0.868
0
1062
25
243
Cosine
0.868
-345.263
-345
0.9307
0
2308
4268
73
Cosine
0.9307
28.03
28
0.9961
0
1047
680
21
Cosine
0.9961
152.158
152
0.9586
0
1047
3946
21
Cosine
0.9586
96.094
96
0.9693
0
1047
1123
21
Cosine
0.9693
-56.063
-56
0.9625
0
1047
648
21
Cosine
0.9625
-152.157
-152
0.9581
0
1047
246
21
Cosine
0.9581
-138.142
-138
0.9647
0
1047
274
21
Cosine
0.9647
28.032
28
0.9939
0
1047
1828
21
Cosine
0.9939
14.016
14
0.9882
0
1047
3960
21
Cosine
0.9882
49.99
49
0.8264
0
3707
924
8
Cosine
0.8264
49.98
49
0.8264
0
3707
3604
8
Cosine
0.8264
-33.984
-33
0.8981
0
3707
4239
8
Cosine
0.8981
3.995
3
0.9468
0
253
49
49
Cosine
0.9468
75.032
75
0.8923
0
253
97
49
Cosine
0.8923
-147.07
-147
0.9062
0
253
4739
49
Cosine
0.9062
-0.001
0
0.8894
0
2981
333
69
Cosine
0.8894
-99.069
-99
0.9375
0
1671
404
111
Cosine
0.9375
-33.984
-33
0.906
0
4635
1397
134
Cosine
0.906
14.016
14
0.9212
0
668
172
111
Cosine
0.9212
28.03
28
0.9311
0
2559
3204
21
Cosine
0.9311
-14.014
-14
0.9452
0
2559
648
21
Cosine
0.9452
200.14
200
0.867
0
3306
3278
214
Cosine
0.867
-33.887
-33
0.9069
0
1045
3662
440
Cosine
0.9069
-14.016
-14
0.951
0
803
1092
295
Cosine
0.951
-26.053
-26
0.8429
0
803
3740
295
Cosine
0.8429
1.979
1
0.9196
0
803
1023
295
Cosine
0.9196
15.994
15
0.9185
0
803
1041
295
Cosine
0.9185
54.046
54
0.8616
0
939
1645
28
Cosine
0.8616
17.026
17
0.9256
0
939
23
28
Cosine
0.9256
-146.06
-146
0.9695
0
939
431
28
Cosine
0.9695
-146.059
-146
0.9669
0
939
591
28
Cosine
0.9669
2.014
2
0.8532
0
939
684
28
Cosine
0.8532
146.056
146
0.8134
0
939
764
28
Cosine
0.8134
-547.371
-547
0.828
0
939
1176
28
Cosine
0.828
129.032
129
0.8507
0
939
1325
28
Cosine
0.8507
-28.032
-28
0.9609
0
102
407
28
Cosine
0.9609
-14.014
-14
0.9341
0
102
10
28
Cosine
0.9341
-504.329
-504
0.8655
0
102
742
28
Cosine
0.8655
-42.049
-42
0.8815
0
102
177
28
Cosine
0.8815
28.03
28
0.9705
0
102
460
28
Cosine
0.9705
14.017
14
0.983
0
102
17
28
Cosine
0.983
12.0
12
0.9371
0
102
46
28
Cosine
0.9371
-146.056
-146
0.9077
0
102
70
28
Cosine
0.9077
2.015
2
0.8625
0
693
473
297
Cosine
0.8625
-504.328
-504
0.989
0
75
37
48
Cosine
0.989
-172.072
-172
0.7721
0
75
592
48
Cosine
0.7721
-17.003
-17
0.8619
0
466
1017
140
Cosine
0.8619
18.01
18
0.9491
0
208
1265
28
Cosine
0.9491
56.062
56
0.9164
0
208
762
28
Cosine
0.9164
2.016
2
0.8874
0
208
431
28
Cosine
0.8874
14.016
14
0.9795
0
208
753
28
Cosine
0.9795
-146.058
-146
0.9359
0
208
684
28
Cosine
0.9359
2.016
2
0.8858
0
208
591
28
Cosine
0.8858
14.016
14
0.914
0
208
914
28
Cosine
0.914
-17.027
-17
0.9643
0
208
570
28
Cosine
0.9643
-17.027
-17
0.9696
0
208
993
28
Cosine
0.9696
-99.068
-99
0.9308
0
4329
1734
102
Cosine
0.9308
99.068
99
0.9308
0
4329
5022
102
Cosine
0.9308
-0.003
0
0.9647
0
455
137
354
Cosine
0.9647
-42.044
-42
0.9112
0
455
527
354
Cosine
0.9112
38.0
38
0.8127
0
127
2972
222
Cosine
0.8127
-42.047
-42
0.9204
0
444
1224
116
Cosine
0.9204
-49.979
-49
0.9179
0
444
672
116
Cosine
0.9179
-16.032
-16
0.882
0
444
323
116
Cosine
0.882
-33.984
-33
0.9139
0
444
583
116
Cosine
0.9139
-26.014
-26
0.9975
0
133
326
48
Cosine
0.9975
14.015
14
0.8125
0
133
1848
48
Cosine
0.8125
-146.059
-146
0.9008
0
133
37
48
Cosine
0.9008
-650.389
-650
0.9727
0
133
309
48
Cosine
0.9727
-28.031
-28
0.9835
0
133
156
48
Cosine
0.9835
28.031
28
0.9284
0
133
1277
48
Cosine
0.9284
-118.027
-118
0.8201
0
133
83
48
Cosine
0.8201
-14.015
-14
0.9562
0
133
586
48
Cosine
0.9562
12.036
12
0.9433
0
2985
3083
33
Cosine
0.9433
14.052
14
0.9186
0
2985
3922
33
Cosine
0.9186
-42.047
-42
0.9356
0
137
527
354
Cosine
0.9356
-113.084
-113
0.9217
0
831
33
111
Cosine
0.9217
-226.169
-226
0.9243
0
831
190
111
Cosine
0.9243
0.001
0
0.9497
0
2940
561
55
Cosine
0.9497
87.033
87
0.92
0
2940
267
55
Cosine
0.92
32.026
32
0.8073
0
1616
2138
141
Cosine
0.8073
32.027
32
0.8681
0
1616
347
141
Cosine
0.8681
-1.98
-1
0.7116
0
1616
1859
141
Cosine
0.7116
-10.029
-10
0.8912
0
426
484
284
Cosine
0.8912
-57.959
-57
0.8647
0
426
838
284
Cosine
0.8647
11.999
11
0.9321
0
325
407
28
Cosine
0.9321
2.017
2
0.8736
0
325
177
28
Cosine
0.8736
-26.014
-26
0.9415
0
325
17
28
Cosine
0.9415
-30.048
-30
0.8189
0
325
2329
28
Cosine
0.8189
-28.031
-28
0.966
0
325
46
28
Cosine
0.966
146.055
146
0.8893
0
325
575
28
Cosine
0.8893
56.061
56
0.8944
0
325
1715
28
Cosine
0.8944
-257.142
-257
0.9789
0
123
21
21
Cosine
0.9789
257.141
257
0.9226
0
123
2569
21
Cosine
0.9226
73.017
73
0.9329
0
2941
3645
16
Cosine
0.9329
-89.048
-89
0.9281
0
2941
621
16
Cosine
0.9281
53.048
53
0.9246
0
2941
2953
16
Cosine
0.9246
-18.01
-18
0.8708
0
129
149
5
Cosine
0.8708
-126.105
-126
0.7984
0
129
3358
5
Cosine
0.7984
-15.995
-15
0.9616
0
850
1248
116
Cosine
0.9616
-48.0
-48
0.9783
0
850
362
116
Cosine
0.9783
-42.047
-42
0.929
0
850
583
116
Cosine
0.929
-50.016
-50
0.9228
0
850
787
116
Cosine
0.9228
33.985
33
0.9273
0
850
1224
116
Cosine
0.9273
0.0
0
1.0
0
494
2594
117
Cosine
1.0
-0.927
0
0.8856
0
797
36
171
Cosine
0.8856
-0.057
0
0.949
0
797
2749
171
Cosine
0.949
324.059
324
0.8824
0
933
990
41
Cosine
0.8824
324.06
324
0.7872
0
933
1247
41
Cosine
0.7872
33.984
33
0.901
0
1035
2219
334
Cosine
0.901
-33.987
-33
0.9007
0
1035
77
334
Cosine
0.9007
32.023
32
0.8966
0
1035
264
334
Cosine
0.8966
0.0
0
0.9182
0
395
3068
95
Cosine
0.9182
97.051
97
0.9593
0
3196
827
111
Cosine
0.9593
-341.232
-341
0.9439
0
3196
33
111
Cosine
0.9439
-14.016
-14
0.9259
0
4252
409
116
Cosine
0.9259
-0.0
0
0.9911
0
4252
565
116
Cosine
0.9911
49.98
49
0.8993
0
4252
1360
116
Cosine
0.8993
-28.031
-28
0.9907
0
2987
2299
21
Cosine
0.9907
-42.047
-42
0.9936
0
2987
3184
21
Cosine
0.9936
-11.016
-11
0.7478
0
3049
3088
181
Cosine
0.7478
-214.131
-214
0.73
0
3049
1801
181
Cosine
0.73
17.026
17
0.9254
0
1645
74
28
Cosine
0.9254
28.029
28
0.825
0
1645
212
28
Cosine
0.825
56.061
56
0.8943
0
1645
684
28
Cosine
0.8943
-146.059
-146
0.9359
0
1645
762
28
Cosine
0.9359
146.059
146
0.8369
0
1645
1942
28
Cosine
0.8369
-42.047
-42
0.8919
0
687
837
533
Cosine
0.8919
17.028
17
0.8533
0
2360
177
28
Cosine
0.8533
45.059
45
0.7766
0
2360
2329
28
Cosine
0.7766
-58.043
-58
0.7933
0
4037
1361
290
Cosine
0.7933
-17.026
-17
0.7899
0
4037
4063
290
Cosine
0.7899
-33.984
-33
0.9031
0
370
365
484
Cosine
0.9031
28.031
28
0.9319
0
3600
2557
21
Cosine
0.9319
-28.031
-28
0.9614
0
3600
2126
21
Cosine
0.9614
-259.157
-259
0.978
0
12
4
21
Cosine
0.978
259.157
259
0.9497
0
12
2917
21
Cosine
0.9497
-259.157
-259
0.989
0
12
446
21
Cosine
0.989
-0.0
0
0.9573
0
945
79
21
Cosine
0.9573
-63.995
-63
0.9513
0
362
1248
116
Cosine
0.9513
14.016
14
0.9564
0
362
1327
116
Cosine
0.9564
-33.984
-33
0.928
0
362
654
116
Cosine
0.928
2.016
2
0.9032
0
362
787
116
Cosine
0.9032
-14.016
-14
0.9212
0
362
1224
116
Cosine
0.9212
14.016
14
0.8921
0
362
2051
116
Cosine
0.8921
0.0
0
0.8847
0
362
4973
116
Cosine
0.8847
-1.008
-1
0.7447
0
1718
1733
145
Cosine
0.7447
-27.995
-27
0.822
0
1718
2069
145
Cosine
0.822
-46.005
-46
0.7566
0
1718
2151
145
Cosine
0.7566
46.019
46
0.836
0
3021
1300
214
Cosine
0.836
113.083
113
0.8533
0
3021
2923
214
Cosine
0.8533
-129.043
-129
0.854
0
457
103
295
Cosine
0.854
0.985
0
0.7745
0
3767
128
4
Cosine
0.7745
-11.016
-11
0.8085
0
187
81
62
Cosine
0.8085
-42.047
-42
0.8191
0
187
1992
62
Cosine
0.8191
-41.026
-41
0.8512
0
187
96
62
Cosine
0.8512
-99.067
-99
0.8603
0
885
3237
217
Cosine
0.8603
-84.094
-84
0.9562
0
1123
3130
21
Cosine
0.9562
124.125
124
0.9744
0
1123
680
21
Cosine
0.9744
56.063
56
0.9739
0
1123
3946
21
Cosine
0.9739
-14.016
-14
0.9689
0
1123
52
21
Cosine
0.9689
-56.063
-56
0.9742
0
1123
246
21
Cosine
0.9742
-42.047
-42
0.9805
0
1123
274
21
Cosine
0.9805
42.047
42
0.959
0
1123
956
21
Cosine
0.959
-68.062
-68
0.9689
0
1123
1828
21
Cosine
0.9689
-82.078
-82
0.9697
0
1123
3960
21
Cosine
0.9697
14.016
14
0.9604
0
226
336
21
Cosine
0.9604
-28.031
-28
0.9505
0
226
1011
21
Cosine
0.9505
-14.016
-14
0.9322
0
226
1269
21
Cosine
0.9322
-14.016
-14
0.8826
0
4973
1327
116
Cosine
0.8826
-2.016
-2
0.8246
0
1650
2961
381
Cosine
0.8246
-50.015
-50
0.9045
0
1650
3220
381
Cosine
0.9045
-30.047
-30
0.7081
0
1850
1154
39
Cosine
0.7081
27.995
27
0.8702
0
2834
232
7
Cosine
0.8702
102.01
102
0.9049
0
2834
2966
7
Cosine
0.9049
15.995
15
0.9217
0
2834
4077
7
Cosine
0.9217
-14.016
-14
0.9336
0
2927
3225
14
Cosine
0.9336
-0.0
0
0.9471
0
2927
3032
14
Cosine
0.9471
-63.995
-63
0.9165
0
2927
4000
14
Cosine
0.9165
-76.032
-76
0.8122
0
2801
908
50
Cosine
0.8122
-33.984
-33
0.8315
0
2801
1793
50
Cosine
0.8315
14.016
14
0.8362
0
2801
2289
50
Cosine
0.8362
42.047
42
0.9778
0
178
2419
21
Cosine
0.9778
-70.079
-70
0.9871
0
178
225
21
Cosine
0.9871
14.016
14
0.9901
0
178
4
21
Cosine
0.9901
28.032
28
0.993
0
178
27
21
Cosine
0.993
-14.015
-14
0.9878
0
178
61
21
Cosine
0.9878
42.047
42
0.9922
0
178
6
21
Cosine
0.9922
163.086
163
0.8904
0
23
431
28
Cosine
0.8904
-14.014
-14
0.9231
0
23
1182
28
Cosine
0.9231
163.085
163
0.8821
0
23
591
28
Cosine
0.8821
2.015
2
0.9102
0
23
15
28
Cosine
0.9102
-146.056
-146
0.8937
0
23
46
28
Cosine
0.8937
12.0
12
0.9159
0
23
70
28
Cosine
0.9159
-28.033
-28
0.9554
0
23
575
28
Cosine
0.9554
28.031
28
0.927
0
23
644
28
Cosine
0.927
-12.037
-12
0.8738
0
950
1487
24
Cosine
0.8738
27.995
27
0.8681
0
950
3105
24
Cosine
0.8681
113.084
113
0.9444
0
1241
2402
24
Cosine
0.9444
-14.015
-14
0.9363
0
1241
360
24
Cosine
0.9363
131.037
131
0.9196
0
1241
1105
24
Cosine
0.9196
97.053
97
0.9277
0
1241
206
24
Cosine
0.9277
57.022
57
0.9447
0
1241
273
24
Cosine
0.9447
0.0
0
0.9583
0
1241
387
24
Cosine
0.9583
-341.233
-341
0.9624
0
1241
2950
24
Cosine
0.9624
26.015
26
0.8626
0
3140
1431
24
Cosine
0.8626
-181.096
-181
0.8189
0
2979
204
421
Cosine
0.8189
18.037
18
0.7426
0
2101
1400
445
Cosine
0.7426
-50.073
-50
0.8111
0
4649
167
228
Cosine
0.8111
-47.999
-47
0.8293
0
3220
2961
381
Cosine
0.8293
-63.995
-63
0.9088
0
3118
2997
17
Cosine
0.9088
-0.0
0
0.9493
0
2822
3881
114
Cosine
0.9493
-264.144
-264
0.8236
0
2204
3211
352
Cosine
0.8236
-304.226
-304
0.7742
0
4133
988
42
Cosine
0.7742
-40.068
-40
0.8371
0
4133
3938
42
Cosine
0.8371
-216.173
-216
0.8189
0
4133
1188
42
Cosine
0.8189
-260.199
-260
0.8677
0
4133
1046
42
Cosine
0.8677
-45.058
-45
0.8905
0
1034
1907
479
Cosine
0.8905
28.031
28
0.9565
0
330
690
388
Cosine
0.9565
-33.985
-33
0.9403
0
4544
3139
17
Cosine
0.9403
-84.094
-84
0.9394
0
813
140
21
Cosine
0.9394
-33.984
-33
0.7888
0
1657
898
226
Cosine
0.7888
-43.972
-43
0.8946
0
1134
153
155
Cosine
0.8946
-28.031
-28
0.9268
0
103
523
295
Cosine
0.9268
14.016
14
0.9517
0
103
135
295
Cosine
0.9517
-62.016
-62
0.9008
0
103
1030
295
Cosine
0.9008
62.037
62
0.7302
0
103
1041
295
Cosine
0.7302
49.979
49
0.9107
0
2211
251
403
Cosine
0.9107
15.995
15
0.9318
0
1
113
243
Cosine
0.9318
0.0
0
0.9404
0
1
2
243
Cosine
0.9404
-1.995
-1
0.8358
0
1
25
243
Cosine
0.8358
-15.995
-15
0.9226
0
1
2373
243
Cosine
0.9226
33.984
33
0.9405
0
2402
345
24
Cosine
0.9405
2.016
2
0.903
0
2402
358
24
Cosine
0.903
99.068
99
0.8969
0
2402
360
24
Cosine
0.8969
113.084
113
0.9188
0
2402
387
24
Cosine
0.9188
44.027
44
0.8918
0
2402
1487
24
Cosine
0.8918
-129.116
-129
0.8861
0
2402
3928
24
Cosine
0.8861
2.018
2
0.8682
0
453
764
28
Cosine
0.8682
-11.005
-11
0.8273
0
453
10
28
Cosine
0.8273
45.058
45
0.8754
0
453
177
28
Cosine
0.8754
17.026
17
0.9631
0
453
17
28
Cosine
0.9631
-28.031
-28
0.9137
0
453
242
28
Cosine
0.9137
275.09
275
0.8541
0
453
570
28
Cosine
0.8541
-129.031
-129
0.9131
0
453
15
28
Cosine
0.9131
275.09
275
0.8409
0
453
993
28
Cosine
0.8409
32.023
32
0.9826
0
300
480
77
Cosine
0.9826
-230.163
-230
0.9146
0
300
4207
77
Cosine
0.9146
34.021
34
0.9557
0
300
396
77
Cosine
0.9557
92.026
92
0.91
0
300
1861
77
Cosine
0.91
-262.132
-262
0.9552
0
2954
404
111
Cosine
0.9552
0.0
0
0.951
0
211
2938
210
Cosine
0.951
-12.037
-12
0.9507
0
211
624
210
Cosine
0.9507
-12.037
-12
0.9507
0
211
3602
210
Cosine
0.9507
-0.0
0
0.9765
0
2188
2578
16
Cosine
0.9765
-87.043
-87
0.9427
0
2188
2298
16
Cosine
0.9427
0.0
0
0.9842
0
2188
50
16
Cosine
0.9842
-147.069
-147
0.9388
0
2188
2500
16
Cosine
0.9388
0.0
0
0.8934
0
1942
762
28
Cosine
0.8934
162.141
162
0.7422
0
2392
1730
15
Cosine
0.7422
108.094
108
0.7686
0
2392
1551
15
Cosine
0.7686
-146.059
-146
0.8919
0
10
5
28
Cosine
0.8919
-28.031
-28
0.9393
0
10
17
28
Cosine
0.9393
-26.014
-26
0.926
0
10
46
28
Cosine
0.926
-358.268
-358
0.8347
0
10
82
28
Cosine
0.8347
17.026
17
0.9659
0
10
242
28
Cosine
0.9659
14.016
14
0.9255
0
10
460
28
Cosine
0.9255
15.994
15
0.845
0
3715
1707
242
Cosine
0.845
35.038
35
0.853
0
570
1346
28
Cosine
0.853
35.037
35
0.9109
0
570
1265
28
Cosine
0.9109
-129.031
-129
0.9621
0
570
684
28
Cosine
0.9621
146.058
146
0.9267
0
570
15
28
Cosine
0.9267
-678.418
-678
0.8622
0
570
619
28
Cosine
0.8622
0.0
0
0.9862
0
570
993
28
Cosine
0.9862
64.042
64
0.9261
0
2077
895
227
Cosine
0.9261
-70.078
-70
0.9858
0
2299
3184
21
Cosine
0.9858
-1.979
-1
0.9311
0
2299
2569
21
Cosine
0.9311
-38.051
-38
0.8689
0
762
1265
28
Cosine
0.8689
54.046
54
0.8578
0
762
591
28
Cosine
0.8578
42.046
42
0.9131
0
762
753
28
Cosine
0.9131
-42.046
-42
0.8572
0
762
914
28
Cosine
0.8572
-126.105
-126
0.7552
0
748
149
5
Cosine
0.7552
18.011
18
0.8727
0
748
3358
5
Cosine
0.8727
-14.015
-14
0.9389
0
387
360
24
Cosine
0.9389
97.053
97
0.9146
0
387
206
24
Cosine
0.9146
-33.985
-33
0.8977
0
387
1431
24
Cosine
0.8977
57.022
57
0.929
0
387
273
24
Cosine
0.929
-341.233
-341
0.9386
0
387
2950
24
Cosine
0.9386
-57.022
-57
0.9143
0
387
1096
24
Cosine
0.9143
-16.032
-16
0.9021
0
387
3928
24
Cosine
0.9021
-41.029
-41
0.899
0
2198
95
112
Cosine
0.899
-0.003
0
0.9589
0
2198
217
112
Cosine
0.9589
-0.091
0
0.9114
0
2198
3418
112
Cosine
0.9114
146.057
146
0.9055
0
474
177
28
Cosine
0.9055
14.017
14
0.8506
0
474
984
28
Cosine
0.8506
-42.047
-42
0.8288
0
474
70
28
Cosine
0.8288
-28.032
-28
0.9268
0
474
15
28
Cosine
0.9268
-32.026
-32
0.9432
0
630
450
78
Cosine
0.9432
2.016
2
0.8918
0
630
1180
78
Cosine
0.8918
3.995
3
0.7263
0
630
1979
78
Cosine
0.7263
-28.031
-28
0.8888
0
778
884
64
Cosine
0.8888
-15.995
-15
0.9338
0
2557
648
21
Cosine
0.9338
-56.062
-56
0.9253
0
2557
2126
21
Cosine
0.9253
54.047
54
0.9273
0
2557
2917
21
Cosine
0.9273
14.016
14
0.8956
0
4603
1248
116
Cosine
0.8956
-63.995
-63
0.8875
0
4603
1327
116
Cosine
0.8875
-28.032
-28
0.8923
0
4603
672
116
Cosine
0.8923
-30.011
-30
0.933
0
1041
1092
295
Cosine
0.933
-42.047
-42
0.8327
0
1041
3740
295
Cosine
0.8327
14.016
14
0.9254
0
1041
1023
295
Cosine
0.9254
0.0
0
0.8135
0
1208
1619
127
Cosine
0.8135
-39.146
-39
0.9374
0
89
3865
21
Cosine
0.9374
-40.149
-40
0.9257
0
89
3947
21
Cosine
0.9257
0.01
0
1.0
0
924
3604
8
Cosine
1.0
16.006
16
0.8931
0
924
4239
8
Cosine
0.8931
-518.315
-518
0.9587
0
446
4
21
Cosine
0.9587
18.011
18
0.7512
0
2943
186
174
Cosine
0.7512
-14.016
-14
0.9185
0
565
409
116
Cosine
0.9185
-49.98
-49
0.8948
0
565
1360
116
Cosine
0.8948
-54.047
-54
0.9804
0
1551
1730
15
Cosine
0.9804
-162.14
-162
0.8232
0
1551
4672
15
Cosine
0.8232
46.005
46
0.9249
0
602
50
16
Cosine
0.9249
0.0
0
0.9479
0
602
3246
16
Cosine
0.9479
33.985
33
0.8641
0
710
1087
52
Cosine
0.8641
-15.01
-15
0.8859
0
765
316
131
Cosine
0.8859
-20.005
-20
0.8705
0
765
2932
131
Cosine
0.8705
-2.016
-2
0.8414
0
765
713
131
Cosine
0.8414
17.026
17
0.9591
0
224
94
78
Cosine
0.9591
60.021
60
0.915
0
224
468
78
Cosine
0.915
14.016
14
0.9115
0
224
1180
78
Cosine
0.9115
74.037
74
0.8434
0
224
1634
78
Cosine
0.8434
46.042
46
0.7999
0
224
3133
78
Cosine
0.7999
29.974
29
0.9385
0
185
59
20
Cosine
0.9385
-14.016
-14
0.9419
0
185
4102
20
Cosine
0.9419
2.015
2
0.9795
0
83
106
48
Cosine
0.9795
42.046
42
0.8721
0
83
1387
48
Cosine
0.8721
-28.032
-28
0.9756
0
83
37
48
Cosine
0.9756
-146.058
-146
0.9201
0
83
156
48
Cosine
0.9201
56.062
56
0.9831
0
83
263
48
Cosine
0.9831
-532.36
-532
0.9904
0
83
243
48
Cosine
0.9904
-14.016
-14
0.8434
0
83
1877
48
Cosine
0.8434
129.043
129
0.9072
0
188
222
108
Cosine
0.9072
-42.047
-42
0.9064
0
1248
672
116
Cosine
0.9064
-66.011
-66
0.8891
0
1248
787
116
Cosine
0.8891
-49.979
-49
0.9049
0
1248
1224
116
Cosine
0.9049
14.026
14
0.8652
0
969
608
65
Cosine
0.8652
-43.041
-43
0.9231
0
969
1868
65
Cosine
0.9231
-0.01
0
0.995
0
969
2602
65
Cosine
0.995
42.047
42
0.9412
0
180
9
21
Cosine
0.9412
28.031
28
0.9329
0
180
92
21
Cosine
0.9329
14.016
14
0.9543
0
180
458
21
Cosine
0.9543
14.015
14
0.9378
0
180
21
21
Cosine
0.9378
-56.063
-56
0.9369
0
180
600
21
Cosine
0.9369
49.053
49
0.8003
0
2041
438
78
Cosine
0.8003
-70.042
-70
0.7237
0
2041
1180
78
Cosine
0.7237
9.984
9
0.8816
0
112
56
87
Cosine
0.8816
-14.016
-14
0.9238
0
112
84
87
Cosine
0.9238
-0.0
0
0.9806
0
112
117
87
Cosine
0.9806
-33.984
-33
0.9316
0
112
276
87
Cosine
0.9316
-33.984
-33
0.9714
0
112
277
87
Cosine
0.9714
-28.031
-28
0.9527
0
980
372
281
Cosine
0.9527
-0.011
0
0.8449
0
72
1443
26
Cosine
0.8449
0.0
0
0.8094
0
72
2598
26
Cosine
0.8094
-42.047
-42
0.9138
0
409
654
116
Cosine
0.9138
-63.995
-63
0.9144
0
409
1360
116
Cosine
0.9144
-28.031
-28
0.9041
0
409
2511
116
Cosine
0.9041
-12.036
-12
0.8723
0
3740
1092
295
Cosine
0.8723
-28.031
-28
0.8705
0
3740
1023
295
Cosine
0.8705
-14.016
-14
0.887
0
117
84
87
Cosine
0.887
-33.984
-33
0.9244
0
117
276
87
Cosine
0.9244
-33.984
-33
0.9618
0
117
277
87
Cosine
0.9618
-15.995
-15
0.9419
0
348
147
16
Cosine
0.9419
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-63
0.9309
0
348
181
16
Cosine
0.9309
-49.979
-49
0.9234
0
348
93
16
Cosine
0.9234
-0.0
0
0.9904
0
348
4080
16
Cosine
0.9904
-49.979
-49
0.9283
0
348
73
16
Cosine
0.9283
56.026
56
0.9325
0
334
151
119
Cosine
0.9325
14.016
14
0.9393
0
334
363
119
Cosine
0.9393
0.055
0
0.9346
0
1499
2857
582
Cosine
0.9346
2.016
2
0.9132
0
36
35
171
Cosine
0.9132
16.031
16
0.9244
0
36
22
171
Cosine
0.9244
-0.984
0
0.8665
0
36
2749
171
Cosine
0.8665
-14.016
-14
0.9327
0
2934
1981
16
Cosine
0.9327
-14.016
-14
0.9855
0
2934
174
16
Cosine
0.9855
-14.016
-14
0.9431
0
2934
2844
16
Cosine
0.9431
-92.026
-92
0.9318
0
101
174
16
Cosine
0.9318
-74.073
-74
0.9232
0
101
3645
16
Cosine
0.9232
-49.979
-49
0.982
0
101
238
16
Cosine
0.982
-58.042
-58
0.9344
0
101
621
16
Cosine
0.9344
0.0
0
0.9725
0
101
694
16
Cosine
0.9725
-94.042
-94
0.9244
0
101
2953
16
Cosine
0.9244
-259.158
-259
0.8884
0
109
286
3
Cosine
0.8884
-42.047
-42
0.9064
0
3017
2977
269
Cosine
0.9064
-57.021
-57
0.8708
0
1527
1105
24
Cosine
0.8708
-14.016
-14
0.9373
0
1951
654
116
Cosine
0.9373
1.0
1
0.7725
0
398
210
530
Cosine
0.7725
23.964
23
0.9384
0
7
1269
21
Cosine
0.9384
0.019
0
0.9604
0
169
3995
245
Cosine
0.9604
-1.003
-1
0.7795
0
169
119
245
Cosine
0.7795
15.958
15
0.9352
0
59
4102
20
Cosine
0.9352
-0.984
0
0.8828
0
4077
20
7
Cosine
0.8828
44.07
44
0.864
0
4077
3368
7
Cosine
0.864
43.99
43
0.9061
0
4077
232
7
Cosine
0.9061
-86.016
-86
0.9088
0
4077
2966
7
Cosine
0.9088
-28.031
-28
0.9213
0
336
1269
21
Cosine
0.9213
-15.0
-15
0.8612
0
3139
2645
17
Cosine
0.8612
-11.005
-11
0.8666
0
3139
3039
17
Cosine
0.8666
-88.053
-88
0.967
0
906
743
42
Cosine
0.967
-44.026
-44
0.9763
0
906
768
42
Cosine
0.9763
132.079
132
0.9442
0
906
944
42
Cosine
0.9442
-44.026
-44
0.9874
0
906
1055
42
Cosine
0.9874
176.105
176
0.9116
0
906
1335
42
Cosine
0.9116
-132.079
-132
0.9267
0
906
1749
42
Cosine
0.9267
182.204
182
0.9115
0
906
3665
42
Cosine
0.9115
-79.957
-79
0.9714
0
1233
1046
42
Cosine
0.9714
44.026
44
0.9508
0
1233
1766
42
Cosine
0.9508
-44.026
-44
0.8079
0
1233
2100
42
Cosine
0.8079
-113.084
-113
0.9325
0
578
406
24
Cosine
0.9325
63.995
63
0.9338
0
578
839
24
Cosine
0.9338
42.047
42
0.8688
0
578
633
24
Cosine
0.8688
-14.016
-14
0.9568
0
744
919
85
Cosine
0.9568
14.016
14
0.9153
0
3031
2836
17
Cosine
0.9153
-40.032
-40
0.7937
0
2491
407
28
Cosine
0.7937
2.015
2
0.7441
0
2491
2329
28
Cosine
0.7441
15.996
15
0.8931
0
3604
4239
8
Cosine
0.8931
-0.0
0
0.9084
0
2976
608
65
Cosine
0.9084
28.032
28
0.9687
0
9
21
21
Cosine
0.9687
-285.173
-285
0.9735
0
9
38
21
Cosine
0.9735
-28.031
-28
0.9234
0
9
54
21
Cosine
0.9234
14.016
14
0.9772
0
9
92
21
Cosine
0.9772
56.063
56
0.9503
0
9
458
21
Cosine
0.9503
-14.016
-14
0.9462
0
9
600
21
Cosine
0.9462
-56.062
-56
0.9222
0
9
1018
21
Cosine
0.9222
-38.052
-38
0.9223
0
9
2504
21
Cosine
0.9223
-14.015
-14
0.9698
0
17
407
28
Cosine
0.9698
-28.031
-28
0.9607
0
17
177
28
Cosine
0.9607
42.047
42
0.9717
0
17
460
28
Cosine
0.9717
2.017
2
0.9395
0
17
46
28
Cosine
0.9395
-42.047
-42
0.909
0
135
523
295
Cosine
0.909
-76.031
-76
0.8715
0
135
1030
295
Cosine
0.8715
87.032
87
0.8944
0
391
4335
396
Cosine
0.8944
-0.012
0
1.0
0
192
571
253
Cosine
1.0
-1.995
-1
0.9307
0
1595
3991
422
Cosine
0.9307
-15.995
-15
0.8359
0
801
875
562
Cosine
0.8359
42.047
42
0.9062
0
3357
3225
14
Cosine
0.9062
-99.068
-99
0.8601
0
4181
88
59
Cosine
0.8601
26.018
26
0.8669
0
297
271
1
Cosine
0.8669
-146.059
-146
0.8263
0
297
606
1
Cosine
0.8263
28.03
28
0.8394
0
297
712
1
Cosine
0.8394
56.062
56
0.9727
0
154
436
16
Cosine
0.9727
42.047
42
0.9811
0
154
692
16
Cosine
0.9811
12.036
12
0.9461
0
154
903
16
Cosine
0.9461
-2.016
-2
0.9244
0
2126
2917
21
Cosine
0.9244
40.031
40
0.8153
0
1387
106
48
Cosine
0.8153
14.014
14
0.8772
0
1387
37
48
Cosine
0.8772
-14.016
-14
0.8961
0
1387
263
48
Cosine
0.8961
27.995
27
0.8679
0
1016
182
193
Cosine
0.8679
182.204
182
0.9022
0
1055
3203
42
Cosine
0.9022
-132.079
-132
0.9636
0
1055
743
42
Cosine
0.9636
-88.052
-88
0.9787
0
1055
768
42
Cosine
0.9787
-176.105
-176
0.9245
0
1055
944
42
Cosine
0.9245
14.015
14
0.9319
0
1055
1440
42
Cosine
0.9319
-14.015
-14
0.9675
0
1055
1582
42
Cosine
0.9675
-88.052
-88
0.909
0
1055
1749
42
Cosine
0.909
14.016
14
0.8768
0
1055
3938
42
Cosine
0.8768
-132.079
-132
0.8436
0
1285
1799
42
Cosine
0.8436
14.015
14
0.9709
0
1285
768
42
Cosine
0.9709
-176.106
-176
0.8412
0
1285
988
42
Cosine
0.8412
-132.079
-132
0.8834
0
1285
1046
42
Cosine
0.8834
28.031
28
0.9816
0
1285
1072
42
Cosine
0.9816
-88.053
-88
0.9014
0
1285
1188
42
Cosine
0.9014
-88.053
-88
0.8874
0
1285
1440
42
Cosine
0.8874
-88.052
-88
0.92
0
1285
3938
42
Cosine
0.92
14.016
14
0.942
0
22
35
171
Cosine
0.942
-49.979
-49
0.8979
0
22
76
171
Cosine
0.8979
17.027
17
0.9844
0
691
724
188
Cosine
0.9844
64.053
64
0.754
0
2138
347
141
Cosine
0.754
-148.109
-148
0.8614
0
345
476
24
Cosine
0.8614
-2.016
-2
0.886
0
345
2982
24
Cosine
0.886
111.068
111
0.8961
0
206
360
24
Cosine
0.8961
-33.984
-33
0.9367
0
206
1105
24
Cosine
0.9367
40.031
40
0.9277
0
206
273
24
Cosine
0.9277
-438.284
-438
0.94
0
206
851
24
Cosine
0.94
40.031
40
0.9107
0
206
1096
24
Cosine
0.9107
-51.995
-51
0.8779
0
206
2264
24
Cosine
0.8779
-66.01
-66
0.9082
0
206
3047
24
Cosine
0.9082
28.031
28
0.9264
0
3300
2512
21
Cosine
0.9264
56.063
56
0.9649
0
4
2419
21
Cosine
0.9649
-56.063
-56
0.9926
0
4
225
21
Cosine
0.9926
-28.031
-28
0.9931
0
4
6
21
Cosine
0.9931
-14.016
-14
0.9925
0
4
27
21
Cosine
0.9925
28.031
28
0.9786
0
4
61
21
Cosine
0.9786
-438.284
-438
0.9758
0
827
33
111
Cosine
0.9758
-88.052
-88
0.8712
0
1142
3203
42
Cosine
0.8712
-308.183
-308
0.8135
0
1142
3612
42
Cosine
0.8135
182.203
182
0.8777
0
1142
768
42
Cosine
0.8777
-176.104
-176
0.8283
0
1142
2213
42
Cosine
0.8283
220.13
220
0.8754
0
1142
807
42
Cosine
0.8754
264.156
264
0.8649
0
1142
1001
42
Cosine
0.8649
196.218
196
0.8665
0
1142
1072
42
Cosine
0.8665
-44.025
-44
0.8643
0
1142
3665
42
Cosine
0.8643
-28.031
-28
0.8527
0
1947
438
78
Cosine
0.8527
-30.047
-30
0.8559
0
1947
1010
78
Cosine
0.8559
-18.01
-18
0.938
0
2918
56
87
Cosine
0.938
224.117
224
0.9398
0
2918
287
87
Cosine
0.9398
-18.01
-18
0.8888
0
2918
240
87
Cosine
0.8888
-18.031
-18
0.8963
0
2918
757
87
Cosine
0.8963
0.0
0
0.9394
0
141
32
16
Cosine
0.9394
33.984
33
0.9461
0
141
80
16
Cosine
0.9461
0.053
0
0.9408
0
141
828
16
Cosine
0.9408
-33.984
-33
0.9352
0
141
2199
16
Cosine
0.9352
14.017
14
0.9293
0
3645
4002
16
Cosine
0.9293
-16.031
-16
0.9557
0
3645
621
16
Cosine
0.9557
19.969
19
0.9361
0
3645
2953
16
Cosine
0.9361
-5.989
-5
0.8709
0
3214
1487
24
Cosine
0.8709
-0.001
0
0.9153
0
3214
486
24
Cosine
0.9153
-16.032
-16
0.9034
0
3214
2361
24
Cosine
0.9034
74.037
74
0.734
0
2022
438
78
Cosine
0.734
14.016
14
0.8487
0
2022
1690
78
Cosine
0.8487
-168.19
-168
0.7665
0
1948
2462
298
Cosine
0.7665
-113.084
-113
0.8763
0
574
4000
14
Cosine
0.8763
-49.979
-49
0.9794
0
574
110
14
Cosine
0.9794
-63.995
-63
0.9336
0
574
383
14
Cosine
0.9336
15.0
15
0.9515
0
1269
246
21
Cosine
0.9515
14.016
14
0.933
0
1269
1011
21
Cosine
0.933
-75.048
-75
0.9255
0
1269
3947
21
Cosine
0.9255
132.079
132
0.9214
0
3203
807
42
Cosine
0.9214
176.105
176
0.914
0
3203
1001
42
Cosine
0.914
168.189
168
0.8477
0
3203
1440
42
Cosine
0.8477
196.219
196
0.8854
0
3203
1582
42
Cosine
0.8854
88.053
88
0.8845
0
3203
2213
42
Cosine
0.8845
-220.132
-220
0.847
0
3203
3612
42
Cosine
0.847
44.026
44
0.8835
0
3203
3665
42
Cosine
0.8835
2.016
2
0.9333
0
91
85
16
Cosine
0.9333
-31.972
-31
0.9635
0
91
2935
16
Cosine
0.9635
-14.016
-14
0.9855
0
91
100
16
Cosine
0.9855
-48.0
-48
0.9851
0
91
115
16
Cosine
0.9851
0.0
0
0.9894
0
91
280
16
Cosine
0.9894
14.016
14
0.9831
0
1418
84
87
Cosine
0.9831
48.0
48
0.9255
0
1418
384
87
Cosine
0.9255
-99.069
-99
0.9117
0
5022
973
102
Cosine
0.9117
0.0
0
1.0
0
5022
1734
102
Cosine
1.0
0.0
0
0.9358
0
597
2922
208
Cosine
0.9358
48.0
48
0.9315
0
2449
1674
203
Cosine
0.9315
54.045
54
0.9325
0
1277
326
48
Cosine
0.9325
-14.016
-14
0.8227
0
1277
1848
48
Cosine
0.8227
56.062
56
0.9671
0
1277
156
48
Cosine
0.9671
-146.058
-146
0.9089
0
1277
263
48
Cosine
0.9089
42.045
42
0.9881
0
1277
586
48
Cosine
0.9881
-242.127
-242
0.8922
0
287
56
87
Cosine
0.8922
-242.127
-242
0.8806
0
287
240
87
Cosine
0.8806
-33.984
-33
0.9482
0
3055
3697
55
Cosine
0.9482
10.029
10
0.733
0
759
838
284
Cosine
0.733
-15.958
-15
0.9482
0
218
261
111
Cosine
0.9482
56.063
56
0.9337
0
2499
624
210
Cosine
0.9337
-56.063
-56
0.9337
0
2499
3602
210
Cosine
0.9337
-36.0
-36
0.7483
0
167
3008
228
Cosine
0.7483
32.027
32
0.8812
0
4030
4019
36
Cosine
0.8812
-71.037
-71
0.8818
0
1096
360
24
Cosine
0.8818
-74.016
-74
0.9102
0
1096
1105
24
Cosine
0.9102
-92.027
-92
0.892
0
1096
2264
24
Cosine
0.892
23.037
23
0.8641
0
1096
1431
24
Cosine
0.8641
0.0
0
0.9399
0
1096
273
24
Cosine
0.9399
-106.041
-106
0.9047
0
1096
3047
24
Cosine
0.9047
48.0
48
0.9635
0
181
147
16
Cosine
0.9635
-29.974
-29
0.927
0
181
335
16
Cosine
0.927
14.016
14
0.9832
0
181
73
16
Cosine
0.9832
14.016
14
0.9736
0
181
93
16
Cosine
0.9736
0.0
0
0.957
0
181
215
16
Cosine
0.957
-63.995
-63
0.9233
0
181
4080
16
Cosine
0.9233
-49.969
-49
0.9672
0
13
3059
100
Cosine
0.9672
14.016
14
0.9766
0
13
158
100
Cosine
0.9766
-49.98
-49
0.9723
0
13
305
100
Cosine
0.9723
72.021
72
0.9426
0
2609
87
111
Cosine
0.9426
56.063
56
0.9657
0
2609
213
111
Cosine
0.9657
-84.058
-84
0.8587
0
2040
465
56
Cosine
0.8587
-1.998
-1
0.9508
0
396
480
77
Cosine
0.9508
58.006
58
0.9176
0
396
1861
77
Cosine
0.9176
14.016
14
0.9146
0
908
689
50
Cosine
0.9146
-42.048
-42
0.8637
0
908
1793
50
Cosine
0.8637
33.983
33
0.8064
0
1300
3278
214
Cosine
0.8064
0.0
0
0.8288
0
1300
507
214
Cosine
0.8288
0.0
0
0.8511
0
4159
1335
42
Cosine
0.8511
-108.093
-108
0.8345
0
1730
4672
15
Cosine
0.8345
46.023
46
0.8625
0
4005
2988
352
Cosine
0.8625
27.997
27
0.8476
0
4005
2004
352
Cosine
0.8476
14.016
14
0.8284
0
594
2761
441
Cosine
0.8284
24.0
24
0.9484
0
56
84
87
Cosine
0.9484
-33.984
-33
0.9122
0
56
201
87
Cosine
0.9122
0.02
0
0.9781
0
56
757
87
Cosine
0.9781
-44.026
-44
0.9833
0
768
743
42
Cosine
0.9833
88.053
88
0.9629
0
768
944
42
Cosine
0.9629
-14.015
-14
0.9929
0
768
1072
42
Cosine
0.9929
132.079
132
0.921
0
768
1335
42
Cosine
0.921
-176.105
-176
0.8819
0
768
1749
42
Cosine
0.8819
0.0
0
0.9593
0
1774
1090
104
Cosine
0.9593
-64.052
-64
0.7088
0
3069
2667
68
Cosine
0.7088
46.005
46
0.7228
0
1826
1634
78
Cosine
0.7228
-28.031
-28
0.9391
0
600
92
21
Cosine
0.9391
-42.046
-42
0.9415
0
600
1018
21
Cosine
0.9415
-42.047
-42
0.9354
0
600
21
21
Cosine
0.9354
14.016
14
0.9698
0
600
54
21
Cosine
0.9698
0.011
0
0.989
0
305
3059
100
Cosine
0.989
-63.995
-63
0.9587
0
305
158
100
Cosine
0.9587
-48.0
-48
0.9569
0
411
369
16
Cosine
0.9569
14.015
14
0.9696
0
411
951
16
Cosine
0.9696
-41.12
-41
0.8213
0
3418
95
112
Cosine
0.8213
-0.094
0
0.8845
0
3418
217
112
Cosine
0.8845
-63.995
-63
0.8548
0
76
35
171
Cosine
0.8548
-75.011
-75
0.867
0
4937
3642
65
Cosine
0.867
-28.032
-28
0.9382
0
951
516
16
Cosine
0.9382
0.0
0
0.8854
0
856
1209
24
Cosine
0.8854
-33.985
-33
0.9265
0
459
2983
265
Cosine
0.9265
49.979
49
0.9318
0
4101
335
16
Cosine
0.9318
270.1
270
0.8488
0
1174
423
34
Cosine
0.8488
2.015
2
0.9435
0
1174
1388
34
Cosine
0.9435
-0.0
0
0.9284
0
62
2411
35
Cosine
0.9284
-34.005
-34
0.9123
0
62
657
35
Cosine
0.9123
-14.016
-14
0.9394
0
62
57
35
Cosine
0.9394
-2.016
-2
0.9011
0
62
207
35
Cosine
0.9011
33.984
33
0.929
0
62
39
35
Cosine
0.929
35.038
35
0.8603
0
993
1346
28
Cosine
0.8603
35.037
35
0.9183
0
993
1265
28
Cosine
0.9183
129.031
129
0.9593
0
993
684
28
Cosine
0.9593
146.058
146
0.9168
0
993
15
28
Cosine
0.9168
678.418
678
0.844
0
993
619
28
Cosine
0.844
28.031
28
0.8464
0
3938
1582
42
Cosine
0.8464
-220.131
-220
0.8601
0
3938
1046
42
Cosine
0.8601
-176.105
-176
0.8619
0
3938
1188
42
Cosine
0.8619
0.001
0
0.828
0
3938
1440
42
Cosine
0.828
-14.017
-14
0.9333
0
2322
1861
77
Cosine
0.9333
16.02
16
0.9604
0
1588
80
16
Cosine
0.9604
-0.008
0
0.9827
0
1588
1515
16
Cosine
0.9827
47.992
47
0.9409
0
1588
917
16
Cosine
0.9409
-16.02
-16
0.9475
0
1588
2199
16
Cosine
0.9475
28.02
28
0.9823
0
731
404
111
Cosine
0.9823
57.994
57
0.9258
0
731
261
111
Cosine
0.9258
-47.988
-47
0.9465
0
731
1969
111
Cosine
0.9465
-14.016
-14
0.927
0
810
105
155
Cosine
0.927
-14.016
-14
0.9064
0
1561
2677
230
Cosine
0.9064
-98.109
-98
0.9607
0
1104
1768
21
Cosine
0.9607
-112.125
-112
0.9484
0
1104
3130
21
Cosine
0.9484
42.047
42
0.9705
0
1104
140
21
Cosine
0.9705
1.979
1
0.9428
0
1104
61
21
Cosine
0.9428
-14.016
-14
0.9966
0
1104
274
21
Cosine
0.9966
-96.094
-96
0.9666
0
1104
1828
21
Cosine
0.9666
-0.0
0
0.9746
0
50
2578
16
Cosine
0.9746
-87.043
-87
0.939
0
50
2298
16
Cosine
0.939
12.037
12
0.9368
0
2938
624
210
Cosine
0.9368
-12.037
-12
0.9368
0
2938
3602
210
Cosine
0.9368
18.01
18
0.8196
0
508
485
372
Cosine
0.8196
-0.021
0
0.9266
0
4706
73
16
Cosine
0.9266
-0.021
0
0.9494
0
4706
93
16
Cosine
0.9494
-46.021
-46
0.8804
0
3039
4026
17
Cosine
0.8804
0.036
0
0.9835
0
3541
3969
157
Cosine
0.9835
-0.036
0
0.9529
0
3541
2827
157
Cosine
0.9529
0.0
0
0.9683
0
3541
4061
157
Cosine
0.9683
-63.995
-63
0.957
0
65
45
40
Cosine
0.957
-49.979
-49
0.9228
0
65
28
40
Cosine
0.9228
-15.995
-15
0.9596
0
65
29
40
Cosine
0.9596
15.983
15
0.8272
0
65
3933
40
Cosine
0.8272
-15.995
-15
0.9509
0
1092
1023
295
Cosine
0.9509
-14.016
-14
0.8644
0
3105
975
24
Cosine
0.8644
148.109
148
0.8891
0
476
2361
24
Cosine
0.8891
-13.972
-13
0.7616
0
893
381
227
Cosine
0.7616
-31.945
-31
0.8082
0
893
659
227
Cosine
0.8082
15.972
15
0.8567
0
893
895
227
Cosine
0.8567
-33.984
-33
0.9364
0
291
1385
344
Cosine
0.9364
-47.999
-47
0.8477
0
291
3529
344
Cosine
0.8477
70.042
70
0.9053
0
363
151
119
Cosine
0.9053
-17.974
-17
0.9041
0
363
579
119
Cosine
0.9041
-17.026
-17
0.9276
0
363
2155
119
Cosine
0.9276
0.053
0
0.9213
0
32
828
16
Cosine
0.9213
-67.968
-67
0.8617
0
4260
310
24
Cosine
0.8617
-44.026
-44
0.948
0
1440
1799
42
Cosine
0.948
-28.031
-28
0.9587
0
1440
1582
42
Cosine
0.9587
-88.053
-88
0.9122
0
807
3612
42
Cosine
0.9122
44.026
44
0.9217
0
807
2213
42
Cosine
0.9217
-44.026
-44
0.9867
0
807
1001
42
Cosine
0.9867
176.105
176
0.9071
0
807
3665
42
Cosine
0.9071
15.958
15
0.9434
0
87
213
111
Cosine
0.9434
-504.327
-504
0.9309
0
5
82
28
Cosine
0.9309
17.027
17
0.9318
0
5
212
28
Cosine
0.9318
-129.032
-129
0.9074
0
5
242
28
Cosine
0.9074
-14.017
-14
0.8512
0
5
70
28
Cosine
0.8512
-28.031
-28
0.7936
0
4172
2465
91
Cosine
0.7936
-236.251
-236
0.8828
0
4172
1975
91
Cosine
0.8828
1.979
1
0.7218
0
4172
2317
91
Cosine
0.7218
-99.069
-99
0.9117
0
973
1734
102
Cosine
0.9117
-231.126
-231
0.9751
0
589
61
21
Cosine
0.9751
33.996
33
0.8633
0
2176
4883
466
Cosine
0.8633
48.0
48
0.9311
0
278
80
16
Cosine
0.9311
0.0
0
0.9778
0
278
85
16
Cosine
0.9778
2.016
2
0.9382
0
278
280
16
Cosine
0.9382
-48.0
-48
0.9255
0
278
2199
16
Cosine
0.9255
-313.204
-313
0.981
0
331
54
21
Cosine
0.981
-236.251
-236
0.8348
0
2465
1760
91
Cosine
0.8348
-208.22
-208
0.8198
0
2465
1975
91
Cosine
0.8198
30.01
30
0.9882
0
2465
2317
91
Cosine
0.9882
-1.998
-1
0.9017
0
820
1466
186
Cosine
0.9017
-14.016
-14
0.9403
0
3225
3032
14
Cosine
0.9403
-49.979
-49
0.9379
0
3225
4000
14
Cosine
0.9379
1.939
1
0.8643
0
701
4858
93
Cosine
0.8643
-13.979
-13
0.8892
0
468
3133
78
Cosine
0.8892
77.048
77
0.8194
0
468
94
78
Cosine
0.8194
-46.006
-46
0.8582
0
468
1180
78
Cosine
0.8582
14.016
14
0.9182
0
468
1634
78
Cosine
0.9182
0.984
0
0.9376
0
20
3
7
Cosine
0.9376
44.026
44
0.931
0
2546
3921
76
Cosine
0.931
60.003
60
0.9208
0
480
1861
77
Cosine
0.9208
14.016
14
0.935
0
725
531
190
Cosine
0.935
-15.995
-15
0.935
0
4080
147
16
Cosine
0.935
-44.026
-44
0.7703
0
2270
2119
42
Cosine
0.7703
88.053
88
0.9397
0
2270
916
42
Cosine
0.9397
-28.031
-28
0.8934
0
2270
1046
42
Cosine
0.8934
132.079
132
0.9131
0
2270
1072
42
Cosine
0.9131
-14.015
-14
0.9791
0
2270
1335
42
Cosine
0.9791
220.131
220
0.8555
0
2270
1582
42
Cosine
0.8555
-292.119
-292
0.8259
0
82
104
28
Cosine
0.8259
521.354
521
0.8798
0
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212
28
Cosine
0.8798
375.295
375
0.8295
0
82
242
28
Cosine
0.8295
478.312
478
0.7582
0
82
848
28
Cosine
0.7582
-14.016
-14
0.9378
0
2385
2473
93
Cosine
0.9378
-48.001
-48
0.9067
0
4245
4479
8
Cosine
0.9067
14.016
14
0.9347
0
4245
4239
8
Cosine
0.9347
0.0
0
0.8928
0
1247
990
41
Cosine
0.8928
-71.037
-71
0.9142
0
49
97
49
Cosine
0.9142
0.0
0
0.8554
0
2701
3939
280
Cosine
0.8554
0.0
0
0.9565
0
4013
4413
385
Cosine
0.9565
-28.031
-28
0.9309
0
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1690
78
Cosine
0.9309
-23.016
-23
0.9799
0
159
68
21
Cosine
0.9799
91.939
91
0.9289
0
159
79
21
Cosine
0.9289
-0.0
0
0.9787
0
4221
607
46
Cosine
0.9787
-285.173
-285
0.9343
0
196
1297
319
Cosine
0.9343
-2.975
-2
0.883
0
434
2966
7
Cosine
0.883
-14.016
-14
0.9859
0
92
21
21
Cosine
0.9859
42.047
42
0.9362
0
92
54
21
Cosine
0.9362
42.047
42
0.9395
0
92
458
21
Cosine
0.9395
-271.158
-271
0.9302
0
92
998
21
Cosine
0.9302
-70.078
-70
0.9267
0
92
1018
21
Cosine
0.9267
-341.232
-341
0.9567
0
896
213
111
Cosine
0.9567
71.037
71
0.8998
0
273
360
24
Cosine
0.8998
-74.016
-74
0.9355
0
273
1105
24
Cosine
0.9355
-92.027
-92
0.9384
0
273
2264
24
Cosine
0.9384
23.037
23
0.8867
0
273
1431
24
Cosine
0.8867
-106.041
-106
0.9347
0
273
3047
24
Cosine
0.9347
-41.027
-41
0.9305
0
217
95
112
Cosine
0.9305
-14.016
-14
0.7926
0
2453
545
146
Cosine
0.7926
-49.979
-49
0.9129
0
360
406
24
Cosine
0.9129
-327.216
-327
0.9056
0
360
1091
24
Cosine
0.9056
-49.979
-49
0.7458
0
4623
1825
50
Cosine
0.7458
-92.026
-92
0.7594
0
4623
689
50
Cosine
0.7594
-15.995
-15
0.8576
0
4623
2289
50
Cosine
0.8576
-31.99
-31
0.9512
0
2373
113
243
Cosine
0.9512
-15.995
-15
0.9626
0
2373
2
243
Cosine
0.9626
-14.0
-14
0.8198
0
2373
25
243
Cosine
0.8198
54.047
54
0.8068
0
271
712
1
Cosine
0.8068
-79.957
-79
0.895
0
1766
988
42
Cosine
0.895
-88.052
-88
0.8063
0
1766
2100
42
Cosine
0.8063
51.926
51
0.7208
0
1766
1886
42
Cosine
0.7208
-114.08
-114
0.8041
0
284
546
275
Cosine
0.8041
0.0
0
0.8811
0
3567
3868
430
Cosine
0.8811
17.026
17
0.8559
0
2455
469
170
Cosine
0.8559
0.0
0
0.9191
0
2455
776
170
Cosine
0.9191
112.125
112
0.9576
0
225
2419
21
Cosine
0.9576
-28.031
-28
0.9985
0
225
6
21
Cosine
0.9985
-42.047
-42
0.9951
0
225
27
21
Cosine
0.9951
-84.094
-84
0.979
0
225
61
21
Cosine
0.979
-10.021
-10
0.9574
0
225
1828
21
Cosine
0.9574
-47.93
-47
0.8144
0
484
838
284
Cosine
0.8144
292.118
292
0.8404
0
260
619
28
Cosine
0.8404
-28.031
-28
0.9678
0
1018
54
21
Cosine
0.9678
-41.026
-41
0.9177
0
1098
39
35
Cosine
0.9177
-0.021
0
0.9517
0
39
657
35
Cosine
0.9517
48.0
48
0.8927
0
39
57
35
Cosine
0.8927
-126.141
-126
0.9456
0
274
3130
21
Cosine
0.9456
-166.172
-166
0.97
0
274
680
21
Cosine
0.97
14.016
14
0.9909
0
274
3946
21
Cosine
0.9909
-14.016
-14
0.9909
0
274
246
21
Cosine
0.9909
28.031
28
0.9803
0
274
52
21
Cosine
0.9803
-110.11
-110
0.964
0
274
1828
21
Cosine
0.964
-28.031
-28
0.9119
0
909
1182
28
Cosine
0.9119
42.05
42
0.842
0
909
575
28
Cosine
0.842
-14.014
-14
0.9537
0
909
644
28
Cosine
0.9537
17.026
17
0.9072
0
469
776
170
Cosine
0.9072
15.995
15
0.9047
0
376
2984
113
Cosine
0.9047
-33.984
-33
0.8725
0
1030
523
295
Cosine
0.8725
28.031
28
0.9474
0
458
21
21
Cosine
0.9474
14.017
14
0.8815
0
654
2511
116
Cosine
0.8815
-67.006
-67
0.9309
0
777
213
111
Cosine
0.9309
-12.001
-12
0.9443
0
3960
1768
21
Cosine
0.9443
42.046
42
0.9873
0
3960
680
21
Cosine
0.9873
-42.047
-42
0.9499
0
3960
648
21
Cosine
0.9499
-66.084
-66
0.9473
0
3960
27
21
Cosine
0.9473
-96.094
-96
0.9585
0
3960
52
21
Cosine
0.9585
-40.032
-40
0.9543
0
3960
956
21
Cosine
0.9543
-14.016
-14
0.9868
0
3960
1828
21
Cosine
0.9868
-31.972
-31
0.9664
0
280
2935
16
Cosine
0.9664
14.016
14
0.9823
0
280
100
16
Cosine
0.9823
48.0
48
0.9912
0
280
115
16
Cosine
0.9912
87.032
87
0.8923
0
267
561
55
Cosine
0.8923
0.0
0
0.9512
0
131
2621
241
Cosine
0.9512
-29.035
-29
0.9636
0
2917
4093
21
Cosine
0.9636
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-15
0.9787
0
2917
52
21
Cosine
0.9787
-2.007
-2
0.967
0
2917
3947
21
Cosine
0.967
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-331
0.9294
0
4188
624
210
Cosine
0.9294
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-331
0.9294
0
4188
3602
210
Cosine
0.9294
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-44
0.939
0
436
903
16
Cosine
0.939
-57.021
-57
0.9906
0
436
24
16
Cosine
0.9906
-14.016
-14
0.9838
0
436
692
16
Cosine
0.9838
-56.062
-56
0.9393
0
436
716
16
Cosine
0.9393
48.0
48
0.9121
0
2243
786
144
Cosine
0.9121
14.016
14
0.9319
0
2243
1086
144
Cosine
0.9319
87.043
87
0.933
0
2298
2578
16
Cosine
0.933
14.016
14
0.9368
0
2298
1210
16
Cosine
0.9368
-60.025
-60
0.9512
0
2298
2500
16
Cosine
0.9512
22.0
22
0.8228
0
1777
1906
44
Cosine
0.8228
-0.001
0
0.9414
0
4104
4716
16
Cosine
0.9414
-49.021
-49
0.9271
0
402
4122
16
Cosine
0.9271
-132.079
-132
0.8533
0
2213
3612
42
Cosine
0.8533
88.052
88
0.9214
0
2213
1001
42
Cosine
0.9214
182.204
182
0.8547
0
2213
1749
42
Cosine
0.8547
132.079
132
0.8618
0
2213
3665
42
Cosine
0.8618
-28.031
-28
0.991
0
1975
1760
91
Cosine
0.991
-238.23
-238
0.8304
0
1975
2317
91
Cosine
0.8304
17.931
17
0.8747
0
95
3982
112
Cosine
0.8747
0.008
0
0.9052
0
1569
4860
142
Cosine
0.9052
-18.026
-18
0.8461
0
2988
2004
352
Cosine
0.8461
-504.328
-504
0.8874
0
592
326
48
Cosine
0.8874
0.0
0
0.9457
0
716
66
16
Cosine
0.9457
33.984
33
0.9512
0
590
531
190
Cosine
0.9512
40.018
40
0.8182
0
838
664
284
Cosine
0.8182
62.0
62
0.7314
0
838
720
284
Cosine
0.7314
-63.995
-63
0.9335
0
4000
3032
14
Cosine
0.9335
2.016
2
0.8948
0
3133
450
78
Cosine
0.8948
32.027
32
0.7411
0
3133
1180
78
Cosine
0.7411
-27.995
-27
0.8668
0
3133
1634
78
Cosine
0.8668
30.047
30
0.8212
0
3133
1979
78
Cosine
0.8212
14.015
14
0.9205
0
629
1010
78
Cosine
0.9205
84.094
84
0.9683
0
6
2419
21
Cosine
0.9683
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-574
0.963
0
6
522
21
Cosine
0.963
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-287
0.984
0
6
18
21
Cosine
0.984
14.016
14
0.9979
0
6
27
21
Cosine
0.9979
56.063
56
0.9868
0
6
61
21
Cosine
0.9868
-33.984
-33
0.9427
0
2578
24
16
Cosine
0.9427
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-50
0.8746
0
4026
2645
17
Cosine
0.8746
28.031
28
0.9353
0
2997
4203
17
Cosine
0.9353
-138.141
-138
0.9624
0
52
680
21
Cosine
0.9624
42.047
42
0.9741
0
52
3946
21
Cosine
0.9741
-28.031
-28
0.9586
0
52
140
21
Cosine
0.9586
42.047
42
0.9744
0
52
246
21
Cosine
0.9744
-56.063
-56
0.9588
0
52
956
21
Cosine
0.9588
-16.999
-16
0.9597
0
52
3865
21
Cosine
0.9597
-34.02
-34
0.9366
0
3146
520
70
Cosine
0.9366
0.986
0
0.8045
0
8
11
514
Cosine
0.8045
0.0
0
0.9572
0
277
276
87
Cosine
0.9572
14.016
14
0.9016
0
277
384
87
Cosine
0.9016
27.995
27
0.8636
0
927
450
78
Cosine
0.8636
2.016
2
0.7825
0
927
1634
78
Cosine
0.7825
60.021
60
0.8129
0
1180
1634
78
Cosine
0.8129
0.0
0
0.9703
0
961
126
111
Cosine
0.9703
-6.083
-6
0.8758
0
152
2769
324
Cosine
0.8758
-60.056
-60
0.9215
0
694
4002
16
Cosine
0.9215
49.979
49
0.9646
0
694
238
16
Cosine
0.9646
58.042
58
0.9338
0
694
621
16
Cosine
0.9338
-297.209
-297
0.9398
0
648
3030
21
Cosine
0.9398
-84.094
-84
0.9594
0
648
680
21
Cosine
0.9594
-28.031
-28
0.9677
0
648
1828
21
Cosine
0.9677
113.084
113
0.9501
0
172
33
111
Cosine
0.9501
0.0
0
0.9898
0
2844
1981
16
Cosine
0.9898
-0.0
0
0.9453
0
2844
174
16
Cosine
0.9453
33.985
33
0.9336
0
2844
1339
16
Cosine
0.9336
-23.98
-23
0.9256
0
757
84
87
Cosine
0.9256
34.005
34
0.9004
0
757
201
87
Cosine
0.9004
-14.016
-14
0.8955
0
2251
2773
135
Cosine
0.8955
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-147
0.8655
0
155
4010
17
Cosine
0.8655
0.0
0
0.8956
0
155
4704
17
Cosine
0.8956
-15.995
-15
0.9572
0
155
433
17
Cosine
0.9572
125.978
125
0.7026
0
1810
1644
189
Cosine
0.7026
-0.0
0
0.9357
0
1981
174
16
Cosine
0.9357
33.985
33
0.9233
0
1981
1339
16
Cosine
0.9233
-168.188
-168
0.8758
0
2677
920
230
Cosine
0.8758
-1.004
-1
0.9296
0
2539
3865
21
Cosine
0.9296
-2.007
-2
0.9284
0
2539
3947
21
Cosine
0.9284
-18.011
-18
0.8126
0
2151
2069
145
Cosine
0.8126
18.026
18
0.9283
0
335
147
16
Cosine
0.9283
-15.958
-15
0.9424
0
335
73
16
Cosine
0.9424
-15.958
-15
0.9445
0
335
93
16
Cosine
0.9445
170.13
170
0.907
0
487
421
28
Cosine
0.907
188.141
188
0.9053
0
487
64
28
Cosine
0.9053
-18.01
-18
0.9113
0
487
353
28
Cosine
0.9113
18.01
18
0.914
0
487
647
28
Cosine
0.914
-0.0
0
0.9876
0
487
721
28
Cosine
0.9876
-170.131
-170
0.8971
0
487
784
28
Cosine
0.8971
-18.01
-18
0.9154
0
487
867
28
Cosine
0.9154
-243.637
-243
0.7347
0
357
424
51
Cosine
0.7347
-14.016
-14
0.8796
0
811
729
291
Cosine
0.8796
132.044
132
0.7441
0
742
104
28
Cosine
0.7441
-33.985
-33
0.7178
0
1048
2015
18
Cosine
0.7178
17.027
17
0.9055
0
764
46
28
Cosine
0.9055
-26.014
-26
0.8498
0
764
242
28
Cosine
0.8498
2.023
2
0.9352
0
230
2415
145
Cosine
0.9352
-41.026
-41
0.941
0
230
161
145
Cosine
0.941
34.038
34
0.9611
0
828
80
16
Cosine
0.9611
-13.962
-13
0.931
0
828
85
16
Cosine
0.931
-34.038
-34
0.9467
0
828
2199
16
Cosine
0.9467
48.0
48
0.9325
0
215
147
16
Cosine
0.9325
14.016
14
0.9525
0
215
93
16
Cosine
0.9525
14.016
14
0.9572
0
215
73
16
Cosine
0.9572
-0.081
0
0.9205
0
3368
232
7
Cosine
0.9205
-113.083
-113
0.9234
0
576
2948
109
Cosine
0.9234
-33.984
-33
0.8776
0
1868
3642
65
Cosine
0.8776
43.031
43
0.9309
0
1868
2602
65
Cosine
0.9309
-119.959
-119
0.9175
0
58
652
383
Cosine
0.9175
49.979
49
0.9357
0
4102
1946
20
Cosine
0.9357
56.062
56
0.8347
0
460
407
28
Cosine
0.8347
70.078
70
0.8935
0
460
177
28
Cosine
0.8935
40.03
40
0.9351
0
460
46
28
Cosine
0.9351
-39.003
-39
0.8901
0
2415
161
145
Cosine
0.8901
-28.031
-28
0.8277
0
450
1979
78
Cosine
0.8277
-15.995
-15
0.8809
0
1298
1791
9
Cosine
0.8809
-32.023
-32
0.9159
0
2965
1466
186
Cosine
0.9159
-315.216
-315
0.8981
0
2946
501
24
Cosine
0.8981
-76.032
-76
0.9409
0
2500
495
16
Cosine
0.9409
-33.985
-33
0.8446
0
304
1044
60
Cosine
0.8446
-42.047
-42
0.8916
0
304
197
60
Cosine
0.8916
-48.0
-48
0.8529
0
1801
1974
181
Cosine
0.8529
-74.019
-74
0.8022
0
2363
1686
279
Cosine
0.8022
12.0
12
0.9286
0
3204
2512
21
Cosine
0.9286
41.024
41
0.8937
0
2604
448
145
Cosine
0.8937
25.013
25
0.8425
0
2424
1017
140
Cosine
0.8425
0.011
0
0.9584
0
1443
2598
26
Cosine
0.9584
-62.016
-62
0.8974
0
2971
2023
29
Cosine
0.8974
14.016
14
0.8806
0
276
384
87
Cosine
0.8806
-32.026
-32
0.8828
0
2545
1859
141
Cosine
0.8828
-50.016
-50
0.9218
0
2630
163
116
Cosine
0.9218
18.011
18
0.9831
0
421
64
28
Cosine
0.9831
164.069
164
0.9202
0
421
212
28
Cosine
0.9202
-188.141
-188
0.8789
0
421
353
28
Cosine
0.8789
188.14
188
0.8689
0
421
647
28
Cosine
0.8689
170.13
170
0.9087
0
421
721
28
Cosine
0.9087
-0.001
0
0.9816
0
421
784
28
Cosine
0.9816
-0.0
0
0.9722
0
3982
4045
112
Cosine
0.9722
-16.031
-16
0.8274
0
1080
2936
30
Cosine
0.8274
2.016
2
0.9345
0
126
404
111
Cosine
0.9345
-0.023
0
0.8254
0
843
351
422
Cosine
0.8254
-0.115
0
0.8686
0
843
3291
422
Cosine
0.8686
41.026
41
0.8945
0
843
3991
422
Cosine
0.8945
0.0
0
0.9592
0
3993
3003
16
Cosine
0.9592
16.031
16
0.9494
0
3993
3057
16
Cosine
0.9494
-266.261
-266
0.8382
0
1760
2317
91
Cosine
0.8382
86.11
86
0.8954
0
3862
2773
135
Cosine
0.8954
-18.01
-18
0.9141
0
647
721
28
Cosine
0.9141
-36.02
-36
0.8729
0
647
867
28
Cosine
0.8729
-0.0
0
0.9847
0
647
353
28
Cosine
0.9847
206.151
206
0.8736
0
647
64
28
Cosine
0.8736
-188.141
-188
0.8603
0
647
784
28
Cosine
0.8603
-42.047
-42
0.8002
0
1825
689
50
Cosine
0.8002
-33.984
-33
0.8227
0
1825
2289
50
Cosine
0.8227
-63.984
-63
0.955
0
3059
158
100
Cosine
0.955
-0.001
0
0.9361
0
1065
4427
199
Cosine
0.9361
-6.995
-6
0.7525
0
2479
1689
86
Cosine
0.7525
45.058
45
0.8604
0
2479
783
86
Cosine
0.8604
101.048
101
0.7696
0
266
53
160
Cosine
0.7696
-0.001
0
0.7984
0
747
1307
272
Cosine
0.7984
-0.0
0
0.9158
0
1327
2051
116
Cosine
0.9158
-33.984
-33
0.9004
0
1327
2511
116
Cosine
0.9004
-17.026
-17
0.8011
0
483
347
141
Cosine
0.8011
-14.015
-14
0.9873
0
743
916
42
Cosine
0.9873
44.026
44
0.9836
0
743
944
42
Cosine
0.9836
88.052
88
0.948
0
743
1335
42
Cosine
0.948
-220.131
-220
0.8615
0
743
1749
42
Cosine
0.8615
-28.031
-28
0.7394
0
988
2119
42
Cosine
0.7394
-44.026
-44
0.9218
0
988
1046
42
Cosine
0.9218
-88.053
-88
0.9192
0
988
1188
42
Cosine
0.9192
-28.031
-28
0.7671
0
988
1886
42
Cosine
0.7671
-0.0
0
0.9872
0
431
591
28
Cosine
0.9872
11.999
11
0.8762
0
431
753
28
Cosine
0.8762
-17.027
-17
0.8438
0
431
1325
28
Cosine
0.8438
15.995
15
0.976
0
2
113
243
Cosine
0.976
-1.995
-1
0.8504
0
2
25
243
Cosine
0.8504
-172.073
-172
0.8004
0
37
326
48
Cosine
0.8004
-26.017
-26
0.9981
0
37
106
48
Cosine
0.9981
28.03
28
0.9313
0
37
263
48
Cosine
0.9313
-12.001
-12
0.8264
0
1182
1811
28
Cosine
0.8264
2.016
2
0.8772
0
1182
984
28
Cosine
0.8772
-26.014
-26
0.8707
0
1182
70
28
Cosine
0.8707
14.018
14
0.9066
0
1182
575
28
Cosine
0.9066
-42.046
-42
0.9478
0
1182
644
28
Cosine
0.9478
-79.957
-79
0.7798
0
1188
2100
42
Cosine
0.7798
14.016
14
0.8577
0
1188
944
42
Cosine
0.8577
-44.026
-44
0.9708
0
1188
1046
42
Cosine
0.9708
17.973
17
0.8262
0
659
381
227
Cosine
0.8262
-15.972
-15
0.9423
0
659
895
227
Cosine
0.9423
-14.015
-14
0.9273
0
4002
3057
16
Cosine
0.9273
-2.015
-2
0.947
0
4002
621
16
Cosine
0.947
-45.058
-45
0.8013
0
4092
4091
448
Cosine
0.8013
2.017
2
0.982
0
156
326
48
Cosine
0.982
14.016
14
0.9841
0
156
586
48
Cosine
0.9841
-678.42
-678
0.9471
0
156
609
48
Cosine
0.9471
33.984
33
0.914
0
105
153
155
Cosine
0.914
-68.099
-68
0.9421
0
3184
2569
21
Cosine
0.9421
-101.047
-101
0.9338
0
24
903
16
Cosine
0.9338
58.042
58
0.8399
0
1749
1799
42
Cosine
0.8399
30.011
30
0.8374
0
1749
1817
42
Cosine
0.8374
-264.158
-264
0.8379
0
1749
944
42
Cosine
0.8379
70.078
70
0.9731
0
27
2419
21
Cosine
0.9731
42.047
42
0.9828
0
27
61
21
Cosine
0.9828
28.03
28
0.8982
0
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1715
28
Cosine
0.8982
42.047
42
0.9237
0
86
21
21
Cosine
0.9237
-1.979
-1
0.9463
0
246
2419
21
Cosine
0.9463
-180.188
-180
0.9626
0
246
680
21
Cosine
0.9626
0.0
0
0.9969
0
246
3946
21
Cosine
0.9969
-124.125
-124
0.9554
0
246
1828
21
Cosine
0.9554
-287.189
-287
0.991
0
18
522
21
Cosine
0.991
-132.079
-132
0.9415
0
1582
916
42
Cosine
0.9415
-88.052
-88
0.9606
0
1582
1072
42
Cosine
0.9606
-44.026
-44
0.9603
0
1582
1817
42
Cosine
0.9603
54.047
54
0.9337
0
263
106
48
Cosine
0.9337
-26.016
-26
0.8137
0
263
1851
48
Cosine
0.8137
549.387
549
0.8483
0
619
684
28
Cosine
0.8483
-33.984
-33
0.963
0
73
147
16
Cosine
0.963
0.0
0
0.9823
0
73
93
16
Cosine
0.9823
-15.995
-15
0.8979
0
332
201
87
Cosine
0.8979
-18.01
-18
0.9372
0
332
2466
87
Cosine
0.9372
-25.99
-25
0.7604
0
499
707
225
Cosine
0.7604
-30.01
-30
0.9439
0
692
903
16
Cosine
0.9439
42.047
42
0.9645
0
692
66
16
Cosine
0.9645
-56.063
-56
0.9689
0
2295
2688
448
Cosine
0.9689
-70.042
-70
0.7112
0
2295
4091
448
Cosine
0.7112
-48.0
-48
0.9433
0
658
465
56
Cosine
0.9433
-14.016
-14
0.8828
0
658
1007
56
Cosine
0.8828
-36.0
-36
0.9449
0
2953
621
16
Cosine
0.9449
12.037
12
0.9228
0
66
903
16
Cosine
0.9228
-14.016
-14
0.8688
0
824
2214
24
Cosine
0.8688
-28.031
-28
0.999
0
1817
1799
42
Cosine
0.999
-176.105
-176
0.8763
0
1817
916
42
Cosine
0.8763
-132.079
-132
0.8938
0
1817
1072
42
Cosine
0.8938
-14.016
-14
0.8425
0
1046
1335
42
Cosine
0.8425
13.98
13
0.9264
0
2952
728
97
Cosine
0.9264
-15.995
-15
0.9689
0
583
672
116
Cosine
0.9689
-50.016
-50
0.9057
0
583
323
116
Cosine
0.9057
81.988
81
0.9462
0
437
195
21
Cosine
0.9462
-18.01
-18
0.9086
0
867
721
28
Cosine
0.9086
-36.021
-36
0.8745
0
867
353
28
Cosine
0.8745
-0.036
0
0.9772
0
4061
3969
157
Cosine
0.9772
0.025
0
0.8611
0
4061
1615
157
Cosine
0.8611
-0.036
0
0.9212
0
4061
2827
157
Cosine
0.9212
-0.995
0
0.8576
0
3884
3958
211
Cosine
0.8576
14.015
14
0.8894
0
2982
486
24
Cosine
0.8894
33.985
33
0.9399
0
1086
786
144
Cosine
0.9399
-18.011
-18
0.8847
0
2264
1105
24
Cosine
0.8847
-14.015
-14
0.9747
0
2264
3047
24
Cosine
0.9747
-16.031
-16
0.9519
0
3003
3057
16
Cosine
0.9519
-48.0
-48
0.9822
0
4341
4122
16
Cosine
0.9822
-14.016
-14
0.8947
0
1270
689
50
Cosine
0.8947
-62.016
-62
0.7504
0
1270
2289
50
Cosine
0.7504
-33.985
-33
0.8959
0
1270
4929
50
Cosine
0.8959
14.016
14
0.9521
0
28
45
40
Cosine
0.9521
-33.984
-33
0.9387
0
28
29
40
Cosine
0.9387
-33.985
-33
0.9697
0
1339
174
16
Cosine
0.9697
-17.956
-17
0.9563
0
100
2935
16
Cosine
0.9563
-33.985
-33
0.9821
0
100
115
16
Cosine
0.9821
28.032
28
0.9345
0
2504
2512
21
Cosine
0.9345
28.031
28
0.8546
0
2160
74
28
Cosine
0.8546
-44.026
-44
0.8282
0
2458
2472
244
Cosine
0.8282
23.041
23
0.7444
0
2069
361
145
Cosine
0.7444
-33.985
-33
0.9556
0
147
93
16
Cosine
0.9556
-146.058
-146
0.8755
0
1715
644
28
Cosine
0.8755
-28.031
-28
0.8643
0
1398
1615
157
Cosine
0.8643
16.028
16
0.9439
0
1515
80
16
Cosine
0.9439
48.0
48
0.9264
0
1515
917
16
Cosine
0.9264
-16.028
-16
0.9351
0
1515
2199
16
Cosine
0.9351
-27.995
-27
0.9301
0
920
1189
230
Cosine
0.9301
-3.994
-3
0.9225
0
1423
728
97
Cosine
0.9225
17.11
17
0.802
0
303
1874
23
Cosine
0.802
-530.345
-530
0.9951
0
463
106
48
Cosine
0.9951
56.062
56
0.9906
0
1828
680
21
Cosine
0.9906
124.126
124
0.9574
0
1828
3946
21
Cosine
0.9574
-1.995
-1
0.905
0
161
361
145
Cosine
0.905
-113.084
-113
0.8504
0
4012
4006
123
Cosine
0.8504
126.141
126
0.9531
0
3946
1768
21
Cosine
0.9531
180.188
180
0.9628
0
3946
680
21
Cosine
0.9628
70.079
70
0.9653
0
3946
140
21
Cosine
0.9653
98.11
98
0.9625
0
3946
956
21
Cosine
0.9625
28.031
28
0.8853
0
310
501
24
Cosine
0.8853
71.073
71
0.8786
0
310
2214
24
Cosine
0.8786
-14.016
-14
0.8957
0
310
3928
24
Cosine
0.8957
-146.059
-146
0.8573
0
242
212
28
Cosine
0.8573
-16.031
-16
0.9406
0
1224
787
116
Cosine
0.9406
264.158
264
0.8335
0
3665
3612
42
Cosine
0.8335
220.131
220
0.8956
0
3665
1001
42
Cosine
0.8956
97.052
97
0.8983
0
1105
1431
24
Cosine
0.8983
-32.026
-32
0.9015
0
1105
3047
24
Cosine
0.9015
14.016
14
0.8997
0
407
177
28
Cosine
0.8997
146.058
146
0.9063
0
407
984
28
Cosine
0.9063
-42.047
-42
0.8842
0
407
2329
28
Cosine
0.8842
-54.047
-54
0.8043
0
644
1811
28
Cosine
0.8043
56.064
56
0.9121
0
644
575
28
Cosine
0.9121
-26.016
-26
0.8753
0
644
74
28
Cosine
0.8753
292.115
292
0.7696
0
1176
1042
28
Cosine
0.7696
676.403
676
0.7295
0
1176
1325
28
Cosine
0.7295
-259.19
-259
0.8978
0
3907
110
14
Cosine
0.8978
42.047
42
0.9489
0
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70
28
Cosine
0.9489
56.062
56
0.9467
0
74
15
28
Cosine
0.9467
-0.984
0
0.8
0
3995
119
245
Cosine
0.8
-27.028
-27
0.9508
0
3947
4093
21
Cosine
0.9508
2.001
2
0.8739
0
895
381
227
Cosine
0.8739
-56.062
-56
0.9477
0
1768
140
21
Cosine
0.9477
-28.031
-28
0.9488
0
1768
956
21
Cosine
0.9488
44.026
44
0.978
0
1335
944
42
Cosine
0.978
-8.063
-8
0.899
0
787
163
116
Cosine
0.899
-42.047
-42
0.9208
0
787
323
116
Cosine
0.9208
0.0
0
1.0
0
3602
624
210
Cosine
1.0
-42.047
-42
0.9703
0
238
4122
16
Cosine
0.9703
-15.995
-15
0.8246
0
1351
2376
122
Cosine
0.8246
130.005
130
0.8776
0
232
2966
7
Cosine
0.8776
17.99
17
0.7914
0
25
113
243
Cosine
0.7914
12.0
12
0.8733
0
591
753
28
Cosine
0.8733
-17.027
-17
0.8472
0
591
1325
28
Cosine
0.8472
-4.979
-4
0.9383
0
445
1191
233
Cosine
0.9383
-76.031
-76
0.8916
0
689
2289
50
Cosine
0.8916
28.031
28
0.8182
0
1851
106
48
Cosine
0.8182
2.015
2
0.9596
0
1010
438
78
Cosine
0.9596
163.085
163
0.8538
0
70
753
28
Cosine
0.8538
-28.031
-28
0.9389
0
70
984
28
Cosine
0.9389
14.015
14
0.9537
0
70
15
28
Cosine
0.9537
2.018
2
0.8183
0
1811
575
28
Cosine
0.8183
14.016
14
0.9482
0
383
110
14
Cosine
0.9482
-28.032
-28
0.9197
0
1239
2508
82
Cosine
0.9197
129.078
129
0.885
0
4739
3004
49
Cosine
0.885
99.067
99
0.9162
0
4739
4229
49
Cosine
0.9162
-75.069
-75
0.764
0
1361
4063
290
Cosine
0.764
12.002
12
0.8927
0
575
984
28
Cosine
0.8927
-48.021
-48
0.8819
0
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657
35
Cosine
0.8819
-44.026
-44
0.9865
0
916
1072
42
Cosine
0.9865
-33.985
-33
0.9303
0
4239
4479
8
Cosine
0.9303
-146.056
-146
0.9033
0
106
326
48
Cosine
0.9033
-33.984
-33
0.9319
0
384
84
87
Cosine
0.9319
24.0
24
0.9112
0
384
201
87
Cosine
0.9112
-14.015
-14
0.9515
0
984
15
28
Cosine
0.9515
40.031
40
0.824
0
4045
2881
112
Cosine
0.824
86.016
86
0.9184
0
3
2966
7
Cosine
0.9184
14.015
14
0.8853
0
443
197
60
Cosine
0.8853
188.14
188
0.8979
0
721
64
28
Cosine
0.8979
-18.011
-18
0.9103
0
721
353
28
Cosine
0.9103
-170.13
-170
0.8951
0
721
784
28
Cosine
0.8951
48.0
48
0.927
0
85
80
16
Cosine
0.927
0.0
0
0.8967
0
1346
1265
28
Cosine
0.8967
16.028
16
0.9677
0
115
2935
16
Cosine
0.9677
30.011
30
0.7489
0
1288
1644
189
Cosine
0.7489
-21.982
-21
0.8043
0
720
664
284
Cosine
0.8043
-28.031
-28
0.8724
0
177
2329
28
Cosine
0.8724
48.0
48
0.9711
0
45
29
40
Cosine
0.9711
0.001
0
0.9254
0
914
753
28
Cosine
0.9254
33.984
33
0.9644
0
323
163
116
Cosine
0.9644
-66.011
-66
0.9043
0
323
672
116
Cosine
0.9043
5.989
5
0.9376
0
1487
486
24
Cosine
0.9376
0.0
0
0.8785
0
1487
2214
24
Cosine
0.8785
-85.089
-85
0.8701
0
1487
3928
24
Cosine
0.8701
0.073
0
0.9696
0
887
322
263
Cosine
0.9696
-34.021
-34
0.9145
0
3996
3840
415
Cosine
0.9145
164.068
164
0.9122
0
784
212
28
Cosine
0.9122
-188.141
-188
0.8697
0
784
353
28
Cosine
0.8697
18.01
18
0.9732
0
784
64
28
Cosine
0.9732
206.151
206
0.8854
0
353
64
28
Cosine
0.8854
-44.027
-44
0.9109
0
1001
3612
42
Cosine
0.9109
0.0
0
0.946
0
3969
2827
157
Cosine
0.946
17.027
17
0.9178
0
15
684
28
Cosine
0.9178
29.992
29
0.8732
0
134
136
202
Cosine
0.8732
-0.013
0
0.8249
0
3933
29
40
Cosine
0.8249
-10.029
-10
0.8151
0
364
521
196
Cosine
0.8151
33.983
33
0.869
0
3278
507
214
Cosine
0.869
-0.177
0
0.8328
0
448
1729
145
Cosine
0.8328
-33.984
-33
0.8204
0
191
567
337
Cosine
0.8204
11.999
11
0.9581
0
586
326
48
Cosine
0.9581
28.029
28
0.8127
0
586
1848
48
Cosine
0.8127
99.068
99
0.9263
0
501
1209
24
Cosine
0.9263
-60.003
-60
0.9242
0
2935
2469
16
Cosine
0.9242
-18.01
-18
0.8461
0
214
2671
424
Cosine
0.8461
14.016
14
0.9538
0
705
2023
29
Cosine
0.9538
-33.985
-33
0.9158
0
672
1360
116
Cosine
0.9158
-28.031
-28
0.9548
0
956
140
21
Cosine
0.9548
-299.225
-299
0.9419
0
956
3073
21
Cosine
0.9419
3.995
3
0.9078
0
753
1265
28
Cosine
0.9078
28.031
28
0.983
0
2419
61
21
Cosine
0.983
-322.189
-322
0.8254
0
1861
4207
77
Cosine
0.8254
2.016
2
0.917
0
3083
3922
33
Cosine
0.917
-33.984
-33
0.9087
0
417
207
35
Cosine
0.9087
16.031
16
0.9699
0
486
2361
24
Cosine
0.9699
-79.1
-79
0.8726
0
486
3928
24
Cosine
0.8726
-146.058
-146
0.9541
0
64
212
28
Cosine
0.9541
164.068
164
0.8778
0
1265
684
28
Cosine
0.8778
-110.109
-110
0.9574
0
140
680
21
Cosine
0.9574
0.0
0
0.9808
0
2199
80
16
Cosine
0.9808