GNPS Library Spectrum CCMSLIB00010004174

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00010004174
Compound NameSuspect related to cis-13-Eicosenoic acid (predicted molecular formula: C20H30O4) with delta m/z 23.927 (putative explanation: unspecified; atomic difference: unspecified)
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
SmilesN/A
InChIInChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7- + 23.927 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00010004174
Precursor M/Z335.22
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipPRIVATE-USER
SPLASH Keynull-null-null-null
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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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1CommentSuspect related to cis-13-Eicosenoic acid (predicted molecular formula: C20H30O4) with delta m/z 23.927 (putative explanation: unspecified; atomic difference: unspecified)Pieter Dorrestein[M+H]+Wout Bittremieux335.22mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings