GNPS Library Spectrum CCMSLIB00012127038

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00012127038
Compound NameSuspect related to N-Tetradecanoyl-DL-homoserine lactone (predicted molecular formula SIRIUS: unknown / BUDDY: C17H32N2O4) with delta m/z 16.997 (putative explanation: Asn->Met substitution; atomic difference: 1C,3H,-1N,-1O,1S) [M-C4H7O2N+H]+
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submitterjzemlin
Most Recent Revisorjzemlin
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) + 16.997 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SUSPECTLIST:accession:CCMSLIB00012127038
Precursor M/Z228.195
Exact Mass0.0
Charge1
Adduct[M-C4H7O2N+H]+
Ion SourceESI
InstrumentHybrid FT
Ion ModePositive
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Library MembershipGNPS-SUSPECTLIST
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 SIRIUS: unknown / BUDDY: C17H32N2O4) with delta m/z 16.997 (putative explanation: Asn->Met substitution; atomic difference: 1C,3H,-1N,-1O,1S) [M-C4H7O2N+H]+Pieter Dorrestein[M-C4H7O2N+H]+Wout Bittremieux228.195jzemlinN/A2023-11-17 08:44:34.0

Spectrum ID Ratings