GNPS Library Spectrum CCMSLIB00000079367

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079367
Compound NameMLS001140981-01!4-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCC(Oc1ccc2c3ccccc3c(=O)oc2c1C)C(=O)NC[C@H]4CC[C@@H](CC4)C(=O)O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079367
Precursor M/Z438.192
Exact Mass437.184
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0ufr-0960000000-6c4aa89fbead704db454
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
MLS001140981-01
4-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid
DorresteinM+HVVP/LMS438.192vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings