GNPS Library Spectrum CCMSLIB00009959708

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00009959708
Compound NameSuspect related to Massbank:MSJ00148 Squalene (predicted molecular formula: C27H44O2) with delta m/z -10.057 (putative explanation: unspecified; atomic difference: unspecified)
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
SmilesN/A
InChI1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ - 10.057 Da
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009959708
Precursor M/Z401.344
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
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Library MembershipPRIVATE-USER
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 Massbank:MSJ00148 Squalene (predicted molecular formula: C27H44O2) with delta m/z -10.057 (putative explanation: unspecified; atomic difference: unspecified)Pieter Dorrestein[M+H]+Wout Bittremieux401.344mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings