GNPS Library Spectrum CCMSLIB00000078697

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078697
Compound Name"NCGC00160299-01!2,3-Dimethoxy-15-methyl-4b,5,6,9,8a,10-hexahydro-16-oxa-8a-aza-cyclopenta[a]phenanthren-17-one"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOC1=C(OC)C=C2C3CCC4=C([C@H](C)OC4=O)N3CCC2=C1
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078697
Precursor M/Z316.155
Exact Mass315.147
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-0gb9-0894000000-bcfc6e2b779a9458ca54
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"NCGC00160299-01
2,3-Dimethoxy-15-methyl-4b,5,6,9,8a,10-hexahydro-16-oxa-8a-aza-cyclopenta[a]phenanthren-17-one"
DorresteinM+HVVP/LMS316.155vphelanN/A2014-05-02 16:39:07.0

Spectrum ID Ratings