GNPS Library Spectrum CCMSLIB00000845142

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845142
Compound NameNCGC00169840-02![2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=C(O)C=CC(CC2COC(C2COC(=O)\C=C\C3=CC=C(O)C=C3)C4=CC(OC)=C(O)C=C4)=C1
InChIInChI=1S/C29H30O8/c1-34-26-14-19(5-10-24(26)31)13-21-16-37-29(20-7-11-25(32)27(15-20)35-2)23(21)17-36-28(33)12-6-18-3-8-22(30)9-4-18/h3-12,14-15,21,23,29-32H,13,16-17H2,1-2H3/b12-6+
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE:accession:CCMSLIB00000845142
Precursor M/Z505.187
Exact Mass506.194
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modenegative
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00169840-02
[2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Jadhav/DorresteinM-Hlfnothias505.187mwang87n/a2017-01-30 15:18:11.0

Spectrum ID Ratings