GNPS Library Spectrum CCMSLIB00000075313

200
300
400
500
600
700
800
900
1000
1100
1200
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 IDCCMSLIB00000075313
Compound NameDesferrioxamine B
PIDorrestein/Moore
Data CollectorRoland Kersten
CAS NumberN/A
Original Submittermcruesemann
Most Recent Revisormcruesemann
Library QualityBronze Spectrum
SmilesCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
InChI"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000075313
Precursor M/Z561.0
Exact Mass560.353
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentHybrid FT
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-00kf-1696345221-0a153445b303332c0eea
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
1CommentDesferrioxamine BDorrestein/MooreM+HRoland Kersten561.0mcruesemannN/A2014-04-09 13:17:51.0

Spectrum ID Ratings