GNPS Library Spectrum CCMSLIB00001058201

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058201
Compound NameEicosanoids_9-HOTrE_C18H30O3
PIDorrestein/Wu
Data Collectorlfnothias
Pubmedn/a
CAS Number89886-42-0
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
Smilesn/a
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-MISC:accession:CCMSLIB00001058201
Precursor M/Z317.209
Exact Mass294.22
Charge1
AdductM+Na
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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Library MembershipGNPS-COLLECTIONS-MISC
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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1CommentEicosanoids_9-HOTrE_C18H30O3Dorrestein/WuM+Nalfnothias317.209mwang87n/a2017-03-21 12:07:51.0

Spectrum ID Ratings