GNPS Library Spectrum CCMSLIB00000079191

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079191
Compound NameProgesterone aka "(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"
PIDorrestein
Data CollectorGarg_Neha
CAS Number57-83-0
Original Submitternegarg
Most Recent Revisorl2sanchez
Library QualityGold Spectrum
SmilesCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079191
Precursor M/Z315.232
Exact Mass314.225
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-014i-0229000000-c83c60bdf0d3b91077c9
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentProgesterone aka "(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"DorresteinM+HGarg_Neha315.232l2sanchezN/A2015-04-08 09:09:47.0
2Comment"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"Dorrestein[M+H]Garg_Neha315.232negargN/A2014-05-06 20:38:41.0

Spectrum ID Ratings