GNPS Library Spectrum CCMSLIB00009936817

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00009936817
Compound NameSuspect related to 3-Hydroxyoctadecanoic acid (predicted molecular formula: C16H37N4O) with delta m/z 1.031 (putative explanation: transamination; atomic difference: transformation)
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) + 1.031 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009936817
Precursor M/Z284.295
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: C16H37N4O) with delta m/z 1.031 (putative explanation: transamination; atomic difference: transformation)Pieter Dorrestein[M-H2O+H]+Wout Bittremieux284.295mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings