GNPS Library Spectrum CCMSLIB00008851218

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00008851218
Compound NameBerbamine
PIBeniddir/Le Pogam
Data CollectorLe Pogam
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesOc1ccc(C[C@]2([H])c3c(Oc4c(OC)cc5c6c4)c(OC)c(OC)cc3CCN2C)cc1Oc7ccc(C[C@]6([H])N(CC5)C)cc7
InChIInChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:IQAMDB:accession:CCMSLIB00008851218
Precursor M/Z609.295
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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1CommentBerbamineBeniddir/Le PogamM+HLe Pogam609.295mpanitchpakdiN/A2022-01-06 11:19:53.0

Spectrum ID Ratings