GNPS Library Spectrum CCMSLIB00009966837

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00009966837
Compound NameSuspect related to N-Tetradecanoyl-DL-homoserine lactone (predicted molecular formula: unknown) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
SmilesN/A
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20) + 26.016 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009966837
Precursor M/Z237.219
Exact Mass0.0
Charge1
Adduct[M-C4H7O2N+H]+
Ion SourceESI
InstrumentHybrid FT
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 N-Tetradecanoyl-DL-homoserine lactone (predicted molecular formula: unknown) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)Pieter Dorrestein[M-C4H7O2N+H]+Wout Bittremieux237.219mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings