GNPS Library Spectrum CCMSLIB00000078704

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078704
Compound Name"NCGC00160137-01!2-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOC1=CC=C(C=C1)C2[N@]3[C@H](CC4=C2NC5=CC=CC=C45)C(=O)N(CCC6=CC(OC)=C(OC)C=C6)CC3=O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078704
Precursor M/Z526.234
Exact Mass525.226
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-014i-0931100000-cffa84931e4f9b9f3a00
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"NCGC00160137-01
2-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione"
DorresteinM+HVVP/LMS526.234vphelanN/A2014-05-02 16:39:07.0

Spectrum ID Ratings