GNPS Library Spectrum CCMSLIB00000078222

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078222
Compound NameKetoprofen (Actron)
PIDorrestein
Data CollectorGarg_Neha
CAS Number22071-15-4
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1=CC=CC(=C1)C(C2=CC=CC(=C2)C(C(O)=O)C)=O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078222
Precursor M/Z255.102
Exact Mass254.094
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0a4i-2490000000-437617eb0a03874b42b5
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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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1CommentKetoprofen (Actron)Dorrestein[M+H]Garg_Neha255.102negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings