GNPS Library Spectrum CCMSLIB00000845039

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845039
Compound NameNCGC00384883-01!(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
InChIInChI=1S/C20H38O12/c1-9(2)3-4-10(23)5-6-29-20-18(16(27)14(25)12(8-22)31-20)32-19-17(28)15(26)13(24)11(7-21)30-19/h9-28H,3-8H2,1-2H3/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19+,20-/m1/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845039
Precursor M/Z471.243
Exact Mass470.236
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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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
NCGC00384883-01
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Jadhav/DorresteinM+Hlfnothias471.243mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings