GNPS Library Spectrum CCMSLIB00000078000

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 IDCCMSLIB00000078000
Compound NameDasatinib (BMS-354825)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"302962-49-8, 854001-07-3 (HCl)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesN1=C(N=C(C=C1NC2=NC=C(S2)C(NC3=C(C=CC=C3C)Cl)=O)N4CCN(CC4)CCO)C
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078000
Precursor M/Z488.163
Exact Mass487.156
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 Keysplash10-000i-0011900000-4dac51b915117532ebe0
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
1CommentDasatinib (BMS-354825)Dorrestein[M+H]Garg_Neha488.163negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings