GNPS Library Spectrum CCMSLIB00000079356

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079356
Compound Name"MLS001141331-01!(2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCc1c(Cc2ccccc2)c(=O)oc3c(C)c(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)ccc13
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079356
Precursor M/Z486.192
Exact Mass485.184
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0ue9-0971100000-30590e7c4b4b76b81ac9
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS001141331-01
(2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid"
DorresteinM+HVVP/LMS486.192vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings