GNPS Library Spectrum CCMSLIB00000078019

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078019
Compound NameAbiraterone (CB-7598)
PIDorrestein
Data CollectorGarg_Neha
CAS Number154229-19-3
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1[C@@H](CC2[C@](C1)([C@]3([C@@](CC=2)([C@]4([C@](CC3)(C(=CC4)C5=CN=CC=C5)C)[H])[H])[H])C)O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078019
Precursor M/Z350.248
Exact Mass349.241
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0udi-0219000000-c93f433d7fde1685327d
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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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1CommentAbiraterone (CB-7598)Dorrestein[M+H]Garg_Neha350.248negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings