GNPS Library Spectrum CCMSLIB00000078687

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078687
Compound Name"NCGC00160147-01!2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOC(=O)[C@H]1CC2=C(CN1C(=O)COC3=CC=C4C(C)=CC(=O)OC4=C3)NC5=CC=CC=C25
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078687
Precursor M/Z447.156
Exact Mass446.148
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-0h90-0940000000-ae750020f0dcfdd04118
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"NCGC00160147-01
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester"
DorresteinM+HVVP/LMS447.156vphelanN/A2014-05-02 16:39:07.0

Spectrum ID Ratings