GNPS Library Spectrum CCMSLIB00009936814

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00009936814
Compound NameSuspect related to 3-Hydroxyoctadecanoic acid (predicted molecular formula: C18H35NO2) with delta m/z -3.007 (putative explanation: 13C3 label for SILAC (reverse); atomic difference: 3C,-3C[13])
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
SmilesN/A
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) - 3.007 Da
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009936814
Precursor M/Z280.26
Exact Mass0.0
Charge1
Adduct[M-H2O+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 3-Hydroxyoctadecanoic acid (predicted molecular formula: C18H35NO2) with delta m/z -3.007 (putative explanation: 13C3 label for SILAC (reverse); atomic difference: 3C,-3C[13])Pieter Dorrestein[M-H2O+H]+Wout Bittremieux280.26mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings