GNPS Library Spectrum CCMSLIB00000078009

0
200
400
600
800
1000
1200
1400
1600
1800
2000
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 IDCCMSLIB00000078009
Compound NameSorafenib (Nexavar)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"475207-59-1, 284461-73-0 (free base)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC=C(C=C1C(F)(F)F)NC(NC2=CC=C(C=C2)OC3=CC=NC(=C3)C(NC)=O)=O)Cl.C4=CC(=CC=C4S(O)(=O)=O)C
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078009
Precursor M/Z465.094
Exact Mass464.086
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-014i-0141900000-262f06c75d4b83f9a14a
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
1CommentSorafenib (Nexavar)Dorrestein[M+H]Garg_Neha465.094negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings