GNPS Library Spectrum CCMSLIB00012129802

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00012129802
Compound NameSuspect related to NCGC00180497-02! (predicted molecular formula SIRIUS: C18H39N8O3 / BUDDY: C26H41NO3) with delta m/z -13.014 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submitterjzemlin
Most Recent Revisorjzemlin
SmilesN/A
InChIInChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24?,25+,26+,27+,28-/m0/s1 - 13.014 Da
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SUSPECTLIST:accession:CCMSLIB00012129802
Precursor M/Z398.308
Exact Mass0.0
Charge1
Adduct[M-H2O+H]+
Ion SourceLC-ESI
InstrumentqTof
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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1Comment
Suspect related to NCGC00180497-02
(predicted molecular formula SIRIUS: C18H39N8O3 / BUDDY: C26H41NO3) with delta m/z -13.014 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+
Pieter Dorrestein[M-H2O+H]+Wout Bittremieux398.308jzemlinN/A2023-11-17 08:44:34.0

Spectrum ID Ratings