GNPS Library Spectrum CCMSLIB00000078007

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078007
Compound NameNilotinib (AMN-107)
PIDorrestein
Data CollectorGarg_Neha
CAS Number641571-10-0
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC=C(C(=C1)NC2=NC=CC(=N2)C3=CN=CC=C3)C)C(=O)NC4=CC(=CC(=C4)N5C=C(N=C5)C)C(F)(F)F
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078007
Precursor M/Z530.191
Exact Mass529.184
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-001i-0181090000-fac2f8f712c3e67b317e
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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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1CommentNilotinib (AMN-107)Dorrestein[M+H]Garg_Neha530.191negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings