GNPS Library Spectrum CCMSLIB00001058198

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058198
Compound NameEicosanoids_PGB2_C20H30O4
PIDorrestein/Wu
Data Collectorlfnothias
Pubmedn/a
CAS Number13367-85-6
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
Smilesn/a
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-MISC:accession:CCMSLIB00001058198
Precursor M/Z335.222
Exact Mass334.215
Charge1
AdductM+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_PGB2_C20H30O4Dorrestein/WuM+Hlfnothias335.222mwang87n/a2017-03-21 12:07:51.0

Spectrum ID Ratings