GNPS Library Spectrum CCMSLIB00000078004

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078004
Compound NameImatinib Mesylate
PIDorrestein
Data CollectorGarg_Neha
CAS Number"220127-57-1, 152459-95-5 (free base), 862366-25-4 (HCL)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC=C(C(=C1)NC2=NC=CC(=N2)C3=CC=CN=C3)C)NC(=O)C4(=CC=C(C=C4)CN5CCN(CC5)C).OS(C)(=O)=O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078004
Precursor M/Z247.637
Exact Mass493.259
Charge1
Adduct[M+2H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0f6t-0191000000-ad5eefc66bcccc870183
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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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1CommentImatinib MesylateDorrestein[M+2H]Garg_Neha247.637negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings