GNPS Library Spectrum CCMSLIB00000579387

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000579387
Compound Name0174_Ketoprofen
PICASMI
Data CollectorCASMI2016
Pubmed446541
CAS NumberN/A
Original Submitterlfnothias
Most Recent Revisorlfnothias
Library QualityGold Spectrum
SmilesCC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
InChI"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:CASMI:accession:CCMSLIB00000579387
Precursor M/Z253.087
Exact Mass0.0
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion Mode Negative
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipCASMI
SPLASH Keynull-null-null-null
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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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1Comment0174_KetoprofenCASMIM-HCASMI2016253.087lfnothias4465412016-05-24 18:27:20.0

Spectrum ID Ratings