GNPS Library Spectrum CCMSLIB00012140712

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00012140712
Compound NameSuspect related to Pseudomonas quinolone signal (predicted molecular formula SIRIUS: C12H25N5O3 / BUDDY: C15H29NO2S) with delta m/z 28.04 (putative explanation: Gln->Arg substitution; atomic difference: 1C,4H,2N,-1O) [M+H]+
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submitterjzemlin
Most Recent Revisorjzemlin
SmilesN/A
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18) + 28.040 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SUSPECTLIST:accession:CCMSLIB00012140712
Precursor M/Z288.202
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceLC-ESI
InstrumentOrbitrap
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 Pseudomonas quinolone signal (predicted molecular formula SIRIUS: C12H25N5O3 / BUDDY: C15H29NO2S) with delta m/z 28.04 (putative explanation: Gln->Arg substitution; atomic difference: 1C,4H,2N,-1O) [M+H]+Pieter Dorrestein[M+H]+Wout Bittremieux288.202jzemlinN/A2023-11-17 08:44:34.0

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