GNPS Library Spectrum CCMSLIB00000078684

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078684
Compound Name"NCGC00160297-01!5-[2-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-oxo-ethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOC1=C2OC=CC2=C(OC)C(C(=O)CC3C4=C(OC)C5=C(OCO5)C=C4CC[N+]3(C)C)=C1O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078684
Precursor M/Z470.181
Exact Mass470.181
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-00di-0690000000-86cb6ec4aa8667a41598
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"NCGC00160297-01
5-[2-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-oxo-ethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium"
DorresteinM+HVVP/LMS470.181vphelanN/A2014-05-02 16:39:07.0

Spectrum ID Ratings