GNPS Library Spectrum CCMSLIB00000845028

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845028
Compound NameNCGC00385642-01!1,4-dihydroxyheptadec-16-en-2-yl acetate
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC(=O)OC(CO)CC(O)CCCCCCCCCCCC=C
InChIInChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845028
Precursor M/Z346.295
Exact Mass328.261
Charge1
AdductM+NH4
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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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00385642-01
1,4-dihydroxyheptadec-16-en-2-yl acetate
Jadhav/DorresteinM+NH4lfnothias346.295mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings