GNPS Library Spectrum CCMSLIB00000075362

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000075362
Compound Namecis-9,10-methylene-hexadecanoic acid
PIDorrestein
Data CollectorM Sandoval
Pubmed
CAS Number
Original Submittermsandoval
Most Recent Revisorlfnothias
Library QualityBronze Spectrum
SmilesCCCCCCC1CC1CCCCCCCC(=O)O
InChI InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000075362
Precursor M/Z269.248
Exact Mass268.24
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-0w39-1940000000-3d03a4a0d2d57c0f5995
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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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1Commentcis-9,10-methylene-hexadecanoic acidDorresteinM+HM Sandoval269.248lfnothias 2018-07-29 15:40:22.0
2Commentcis-9,10-methylene-hexadecanoic acidDorresteinM+HM Sandoval269.248msandoval 2014-04-09 13:59:01.0

Spectrum ID Ratings