GNPS Library Spectrum CCMSLIB00000479579

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000479579
Compound NameArachidic acid
PIAlexandrov Theodore
Data CollectorPrasad
Pubmed10467
CAS Number506-30-9
Original Submitterpphapale
Most Recent Revisorpphapale
Library QualityGold Spectrum
SmilesN/A
InChI"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-EMBL-MCF:accession:CCMSLIB00000479579
Precursor M/Z311.313
Exact Mass312.303
Charge1
AdductM-H
Ion SourceDI-ESI
InstrumentOrbitrap
Ion ModeNegative
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-EMBL-MCF
SPLASH Keysplash10-03di-0009000000-44de55be5637934bb766
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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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1CommentArachidic acidAlexandrov TheodoreM-HPrasad311.313pphapale104672017-02-01 07:15:45.0
2CommentArachidic acidAlexandrov TheodoreM-HPrasad312.53pphapale104672015-08-16 10:50:49.0

Spectrum ID Ratings