GNPS Library Spectrum CCMSLIB00009941978

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00009941978
Compound NameSuspect related to Andrograpanin (predicted molecular formula: C14H20O5) with delta m/z -50.089 (putative explanation: unspecified; atomic difference: unspecified)
PIPieter Dorrestein
Data CollectorWout Bittremieux
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
SmilesN/A
InChIInChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1 - 50.089 Da
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:PRIVATE-USER:accession:CCMSLIB00009941978
Precursor M/Z269.136
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentOrbitrap
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 Andrograpanin (predicted molecular formula: C14H20O5) with delta m/z -50.089 (putative explanation: unspecified; atomic difference: unspecified)Pieter Dorrestein[M+H]+Wout Bittremieux269.136mpanitchpakdiN/A2022-04-26 15:17:11.0

Spectrum ID Ratings