GNPS Library Spectrum CCMSLIB00001058214

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058214
Compound NameEicosanoids_LXB4_C20H32O5
PIDorrestein/Wu
Data Collectorlfnothias
Pubmedn/a
CAS Number98049-69-5
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
Smilesn/a
InChIInChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-MISC:accession:CCMSLIB00001058214
Precursor M/Z353.232
Exact Mass352.225
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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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_LXB4_C20H32O5Dorrestein/WuM+Hlfnothias353.232mwang87n/a2017-03-21 12:07:51.0

Spectrum ID Ratings