GNPS Library Spectrum CCMSLIB00000004235

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000004235
Compound NameIndomethacin
PISirenas
Data CollectorEd Esquenazi
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesCC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChIInChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART1:accession:CCMSLIB00000004235
Precursor M/Z358.085
Exact Mass357.077
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SELLECKCHEM-FDA-PART1
SPLASH Keysplash10-01p9-0900000000-e7a90bf4653ad45f1ae4
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentIndomethacinSirenasM+HEd Esquenazi 358.085kimkami2N/A2021-03-18 20:17:29.0
2CommentIndomethacinSirenasM+HEd Esquenazi 358.085mwang87N/A2014-02-06 15:58:45.0

Spectrum ID Ratings