GNPS Library Spectrum CCMSLIB00008851222

100
150
200
250
300
350
400
450
500
550
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 IDCCMSLIB00008851222
Compound NameBisnoraromoline
PIBeniddir/Le Pogam
Data CollectorLe Pogam
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCOC1=CC(CCN[C@@]2([H])Cc3cc(Oc4c(O)ccc(C[C@@]5([H])NCCC6=C5C=C(O7)C(OC)=C6)c4)ccc3)=C2C7=C1O
InChIInChI=1S/C34H34N2O6/c1-39-29-16-21-8-10-35-25-13-20-6-7-27(37)28(15-20)41-23-5-3-4-19(12-23)14-26-32-22(9-11-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-7,12,15-18,25-26,35-38H,8-11,13-14H2,1-2H3/t25-,26+/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:IQAMDB:accession:CCMSLIB00008851222
Precursor M/Z567.249
Exact Mass566.242
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
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
1CommentBisnoraromolineBeniddir/Le PogamM+HLe Pogam567.249mpanitchpakdiN/A2022-01-06 11:19:53.0

Spectrum ID Ratings