GNPS Library Spectrum CCMSLIB00000845019

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845019
Compound NameNCGC00347503-02!8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1OC(OC)C(O)(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C34CO4)C1O
InChIInChI=1S/C22H38O8/c1-12-6-7-20(3)14(10-13(23)15(24)22(20)11-29-22)19(12,2)8-9-21(26)16(25)17(27-4)30-18(21)28-5/h12-18,23-26H,6-11H2,1-5H3
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845019
Precursor M/Z472.291
Exact Mass430.257
Charge1
AdductM+ACN+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-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00347503-02
8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol
Jadhav/DorresteinM+ACN+Hlfnothias472.291mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings