GNPS Library Spectrum CCMSLIB00012126571

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00012126571
Compound NameSuspect related to N-Hexanoyl-DL-homoserine lactone (predicted molecular formula SIRIUS: C9H12NO5 / BUDDY: C5H15N2O5P) with delta m/z 14.942 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submitterjzemlin
Most Recent Revisorjzemlin
SmilesN/A
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12) + 14.942 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SUSPECTLIST:accession:CCMSLIB00012126571
Precursor M/Z215.079
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipGNPS-SUSPECTLIST
SPLASH Keynull-null-null-null
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentSuspect related to N-Hexanoyl-DL-homoserine lactone (predicted molecular formula SIRIUS: C9H12NO5 / BUDDY: C5H15N2O5P) with delta m/z 14.942 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+Pieter Dorrestein[M+H]+Wout Bittremieux215.079jzemlinN/A2023-11-17 08:44:34.0

Spectrum ID Ratings