GNPS Library Spectrum CCMSLIB00006581637

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006581637
Compound Name"all-cis-5,8,11,14,17-icosapentaenoic acid"
PIMichael Witting
Data CollectorMichael Witting
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
InChI"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SCIEX-LIBRARY:accession:CCMSLIB00006581637
Precursor M/Z303.232
Exact Mass302.225
Charge1
Adduct[M+H]+
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SCIEX-LIBRARY
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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1Comment"all-cis-5,8,11,14,17-icosapentaenoic acid"Michael Witting[M+H]+Michael Witting303.232mpanitchpakdiN/A2021-06-04 16:40:01.0

Spectrum ID Ratings