GNPS Library Spectrum CCMSLIB00000078431

50
100
150
200
250
300
350
400
450
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 IDCCMSLIB00000078431
Compound NameBetaxolol (Betoptic)
PIDorrestein
Data CollectorGarg_Neha
CAS Number659-18-7
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1=CC(=CC=C1CCOCC2CC2)OCC(CNC(C)C)O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078431
Precursor M/Z308.222
Exact Mass307.215
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 Keysplash10-0900-0619000000-76032f7e5f2fbe405815
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
1CommentBetaxolol (Betoptic)Dorrestein[M+H]Garg_Neha308.222negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings