GNPS Library Spectrum CCMSLIB00000078679

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078679
Compound Name"NCGC00160272-01!5-(3-Furan-2-yl-acryloyl)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOC(=O)C1C(=O)C(C(=O)\C=C\C2=CC=CO2)C(=O)CC1(C)C
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078679
Precursor M/Z319.118
Exact Mass318.11
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTOF
Ion ModePositive
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Library MembershipGNPS-PRESTWICKPHYTOCHEM
SPLASH Keysplash10-00di-0910000000-1821669a4829dc0302ef
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"NCGC00160272-01
5-(3-Furan-2-yl-acryloyl)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester"
DorresteinM+HVVP/LMS319.118vphelanN/A2014-05-02 16:39:07.0

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