GNPS Library Spectrum CCMSLIB00000079377

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079377
Compound Name"MLS000697724-01!(2R,3S,3aS)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOC1=C[C@]2(CC=C)[C@H](C)[C@@H](OC2=C(OC)C1=O)c3ccc4OCOc4c3
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079377
Precursor M/Z393.131
Exact Mass370.142
Charge1
AdductM+Na
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-000i-0229000000-de44a45477e933e15edf
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS000697724-01
(2R,3S,3aS)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one"
DorresteinM+NaVVP/LMS393.131vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings