GNPS Library Spectrum CCMSLIB00000078012

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078012
Compound NameVandetanib (Zactima)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"443913-73-3, 338992-53-3 (TFA), 524722-52-9 (HCl)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC12=C(C(=NC=N1)NC3=C(C=C(C=C3)Br)F)C=C(C(=C2)OCC4CCN(CC4)C)OC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078012
Precursor M/Z238.061
Exact Mass474.107
Charge1
Adduct[M+2H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-000i-0293000000-9037b32a179af5e7ba9a
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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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1CommentVandetanib (Zactima)Dorrestein[M+2H]Garg_Neha238.061negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings