GNPS Library Spectrum CCMSLIB00000078682

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078682
Compound Name"NCGC00160261-01!10b-Methyl-3,4,5,6,10b,11-hexahydro-2H-4b-aza-chrysene-1,12-dione"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesC[C@@]12CC(=O)C3=C(CCCC3=O)N1CCC4=CC=CC=C24
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078682
Precursor M/Z304.131
Exact Mass281.142
Charge1
AdductM+Na
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-0udr-0497000000-15c34c213111b3a25cfc
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"NCGC00160261-01
10b-Methyl-3,4,5,6,10b,11-hexahydro-2H-4b-aza-chrysene-1,12-dione"
DorresteinM+NaVVP/LMS304.131vphelanN/A2014-05-02 16:39:07.0

Spectrum ID Ratings