GNPS Library Spectrum CCMSLIB00000845020

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845020
Compound NameNCGC00380568-01!2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesOCC1OC(OCC2OC(OC3=CC=C(CC=C)C=C3)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C21H30O11/c1-2-3-10-4-6-11(7-5-10)30-21-19(28)17(26)15(24)13(32-21)9-29-20-18(27)16(25)14(23)12(8-22)31-20/h2,4-7,12-28H,1,3,8-9H2
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845020
Precursor M/Z476.213
Exact Mass458.179
Charge1
AdductM+NH4
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
NCGC00380568-01
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Jadhav/DorresteinM+NH4lfnothias476.213mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings