GNPS Library Spectrum CCMSLIB00000078680

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078680
Compound Name"NCGC00160316-01!6,7-didehydro-26,28didemethyl-16,28-secosolanidan-3,16-diol"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesC[C@@H](C1[C@@H](O)CC2C3C=CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]5CCCCN5
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078680
Precursor M/Z402.337
Exact Mass401.329
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-001i-0290000000-c634d9bef2269e0cb86d
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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
"NCGC00160316-01
6,7-didehydro-26,28didemethyl-16,28-secosolanidan-3,16-diol"
DorresteinM+HVVP/LMS402.337vphelanN/A2014-05-02 16:39:07.0

Spectrum ID Ratings