GNPS Library Spectrum CCMSLIB00000479617

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000479617
Compound NameElaidic acid
PIAlexandrov Theodore
Data CollectorPrasad
Pubmed445639
CAS Number112-79-8
Original Submitterpphapale
Most Recent Revisorpphapale
Library QualityGold Spectrum
SmilesN/A
InChI"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-EMBL-MCF:accession:CCMSLIB00000479617
Precursor M/Z281.28
Exact Mass282.256
Charge1
AdductM-H
Ion SourceDI-ESI
InstrumentOrbitrap
Ion ModeNegative
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Library MembershipGNPS-EMBL-MCF
SPLASH Keysplash10-001i-0090000000-954c34b842604c5ead76
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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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1CommentElaidic acidAlexandrov TheodoreM-HPrasad281.28pphapale4456392017-02-01 07:44:14.0
2CommentElaidic acidAlexandrov TheodoreM-HPrasad282.46pphapale4456392015-08-16 11:16:06.0

Spectrum ID Ratings