GNPS Library Spectrum CCMSLIB00000078015

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078015
Compound NameCrizotinib (PF-02341066)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"877399-52-5, 877399-53-6 (acetate)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC(=C(N=C1)N)O[C@@H](C2=C(C=CC(=C2Cl)F)Cl)C)C3=CN(N=C3)C4CCNCC4
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078015
Precursor M/Z450.126
Exact Mass449.119
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0udi-1693800000-fc52c38f3359a378554a
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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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1CommentCrizotinib (PF-02341066)Dorrestein[M+H]Garg_Neha450.126negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings