GNPS Library Spectrum CCMSLIB00009969605

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00009969605
Compound NameSuspect related to NCGC00180497-02! (predicted molecular formula: C18H36N9O4) with delta m/z 13.964 (putative explanation: unspecified; atomic difference: unspecified)
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
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 + 13.964 Da
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009969605
Precursor M/Z425.287
Exact Mass0.0
Charge1
Adduct[M-H2O+H]+
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipPRIVATE-USER
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: C18H36N9O4) with delta m/z 13.964 (putative explanation: unspecified; atomic difference: unspecified)
Pieter Dorrestein[M-H2O+H]+Wout Bittremieux425.287mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings