GNPS Library Spectrum CCMSLIB00008851219

190
200
210
220
230
240
250
260
270
280
290
300
310
320
0%
10%
20%
30%
40%
50%
60%
70%
80%
90%
100%
Click and drag in the plot to zoom X:  Y:        Enable tooltip Plot mass error
Latest Library Spectrum Information
Spectrum IDCCMSLIB00008851219
Compound NameBerberine
PIBeniddir/Le Pogam
Data CollectorLe Pogam
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCOc(cc1)c(OC)c2c1cc(c3c(CC4)cc5c(OCO5)c3)[n+]4c2
InChIInChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:IQAMDB:accession:CCMSLIB00008851219
Precursor M/Z336.124
Exact Mass336.123
Charge1
AdductM
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
Update Annotation
Add Spectrum Tag

Spectrum Tags

Datasets ID
Hits 1 ~ 0 out of 0     Go to   
TypeDescriptionDatabaseURLURLRemove Tag
checked only

Spectrum Annotation History

Spectrum Annotations and Comments
Hits 1 ~ 1 out of 1     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentBerberineBeniddir/Le PogamMLe Pogam336.124mpanitchpakdiN/A2022-01-06 11:19:53.0

Spectrum ID Ratings