GNPS Library Spectrum CCMSLIB00000084736

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000084736
Compound NameMLS000069491-01!
PIDorrestein
Data CollectorVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCC[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE:accession:CCMSLIB00000084736
Precursor M/Z313.218
Exact Mass312.209
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE
SPLASH Keysplash10-0a5a-3920000000-edbd3785e7d20d9e81be
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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
MLS000069491-01
DorresteinM+HVP/LMS313.218vphelanN/A2014-05-31 16:00:37.0

Spectrum ID Ratings