GNPS Library Spectrum CCMSLIB00000078447

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078447
Compound NameMestranol
PIDorrestein
Data CollectorGarg_Neha
CAS Number72-33-3
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1C(=CC2=C(C=1)[C@]3([C@@](CC2)([C@]4([C@](CC3)([C@](CC4)(C#C)O)C)[H])[H])[H])OC
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078447
Precursor M/Z311.201
Exact Mass310.193
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-03k9-0944000000-c070391634e791f403af
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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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1CommentMestranolDorrestein[M+H]Garg_Neha311.201negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings