GNPS Library Spectrum CCMSLIB00012129160

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00012129160
Compound NameSuspect related to NCGC00178802-07!N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide (predicted molecular formula SIRIUS: C25H46N8O8 / BUDDY: C37H46O6) with delta m/z 25.979 (putative explanation: unspecified; atomic difference: unspecified) [M+Na]+
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submitterjzemlin
Most Recent Revisorjzemlin
SmilesN/A
InChIInChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34) + 25.979 Da
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SUSPECTLIST:accession:CCMSLIB00012129160
Precursor M/Z609.321
Exact Mass0.0
Charge1
Adduct[M+Na]+
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SUSPECTLIST
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
Suspect related to NCGC00178802-07
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide (predicted molecular formula SIRIUS: C25H46N8O8 / BUDDY: C37H46O6) with delta m/z 25.979 (putative explanation: unspecified; atomic difference: unspecified) [M+Na]+
Pieter Dorrestein[M+Na]+Wout Bittremieux609.321jzemlinN/A2023-11-17 08:44:34.0

Spectrum ID Ratings