GNPS Library Spectrum CCMSLIB00001058194

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058194
Compound NameEicosanoids_5-HETrE_C20H34O3
PIDorrestein/Wu
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
Smilesn/a
InChIInChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-MISC:accession:CCMSLIB00001058194
Precursor M/Z305.247
Exact Mass322.251
Charge1
AdductM-H2O+H
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_5-HETrE_C20H34O3Dorrestein/WuM-H2O+Hlfnothias305.247mwang87n/a2017-03-21 12:07:51.0

Spectrum ID Ratings