GNPS Library Spectrum CCMSLIB00000084833

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000084833
Compound NameMLS001148217-01!Medroxyprogesterone 17-acetate
PIDorrestein
Data CollectorVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesC[C@H]/1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)CC[C@@H]2[C@@]\4(C)CCC(=O)\C=C14
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE:accession:CCMSLIB00000084833
Precursor M/Z387.257
Exact Mass386.246
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE
SPLASH Keysplash10-00dj-3940000000-2c9513d9a6a2092f5759
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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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1Comment
MLS001148217-01
Medroxyprogesterone 17-acetate
DorresteinM+HVP/LMS387.257vphelanN/A2014-05-31 16:00:37.0

Spectrum ID Ratings