GNPS Library Spectrum CCMSLIB00008851226

100
150
200
250
300
350
400
450
500
550
600
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 IDCCMSLIB00008851226
Compound NameCandicusine
PIBeniddir/Le Pogam
Data CollectorLe Pogam
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCOc1c(O)c2c3c(CCN([C@]3([H])Cc4ccc(Oc5c(O)ccc(C[C@@]6([H])N(CCc7c6cc(O2)c(OC)c7)C)c5)cc4)C)c1
InChIInChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:IQAMDB:accession:CCMSLIB00008851226
Precursor M/Z595.281
Exact Mass594.273
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
1CommentCandicusineBeniddir/Le PogamM+HLe Pogam595.281mpanitchpakdiN/A2022-01-06 11:19:53.0

Spectrum ID Ratings