GNPS Library Spectrum CCMSLIB00008851207

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00008851207
Compound NameAntioquine
PIBeniddir/Le Pogam
Data CollectorLe Pogam
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesOC1=C2C=C(C[C@]3([H])N(C)CCC4=C3C=C(OC5=C(C(OC)=CC(CCN6C)=C5[C@]6(CC7=CC2=C(OC)C=C7)[H])O)C(OC)=C4)C=C1
InChIInChI=1S/C37H40N2O6/c1-38-12-10-23-18-32(43-4)33-20-25(23)28(38)16-21-6-8-30(40)26(14-21)27-15-22(7-9-31(27)42-3)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:IQAMDB:accession:CCMSLIB00008851207
Precursor M/Z609.296
Exact Mass608.289
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipIQAMDB
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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1CommentAntioquineBeniddir/Le PogamM+HLe Pogam609.296mpanitchpakdiN/A2022-01-06 11:19:53.0

Spectrum ID Ratings