GNPS Library Spectrum CCMSLIB00000078010

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078010
Compound NameSunitinib Malate (Sutent)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"341031-54-7, 557795-19-4 (free base), 1126641-10-8 ( Maleic acid)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC=C2C(=C1)/C(C(N2)=O)=C/C3NC(=C(C=3C)C(NCCN(CC)CC)=O)C)F.C(C[C@@H](C(O)=O)O)(O)=O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078010
Precursor M/Z399.219
Exact Mass398.212
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-003s-0279100000-3235fa89bba14969157b
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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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1CommentSunitinib Malate (Sutent)Dorrestein[M+H]Garg_Neha399.219negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings