GNPS Library Spectrum CCMSLIB00000078017

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078017
Compound NameXL-184 free base (Cabozantinib)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"849217-68-1,1140909-48-3 (L-(-)-Apple Acid)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC12=C(C(=CC=N1)OC3=CC=C(C=C3)NC(C4(C(NC5=CC=C(C=C5)F)=O)CC4)=O)C=C(C(=C2)OC)OC
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078017
Precursor M/Z502.177
Exact Mass501.17
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0udi-0139180000-20096332e7e989d72392
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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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1CommentXL-184 free base (Cabozantinib)Dorrestein[M+H]Garg_Neha502.177negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings