GNPS Library Spectrum CCMSLIB00000845451

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845451
Compound NameNCGC00180191-03!8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=C(C(O)C(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1
InChIInChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845451
Precursor M/Z259.096
Exact Mass276.1
Charge1
AdductM-H2O+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00180191-03
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Jadhav/DorresteinM-H2O+Hlfnothias259.096mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings