GNPS Library Spectrum CCMSLIB00000077997

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000077997
Compound NameBosutinib (SKI-606)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"380843-75-4, 918639-08-4 (H2O), 918639-09-5 (2-propanol)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesN1=CC(=C(C2=CC(=C(C=C12)OCCCN3CCN(CC3)C)OC)NC4C(=CC(=C(C=4)OC)Cl)Cl)C#N
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000077997
Precursor M/Z265.59
Exact Mass529.165
Charge1
Adduct[M+2H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-014i-0092000000-68183c460c3cf8e08c01
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentBosutinib (SKI-606)Dorrestein[M+2H]Garg_Neha265.59negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings