GNPS Library Spectrum CCMSLIB00000078013

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078013
Compound NameMasitinib (AB1010)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"790299-79-5, 1048007-93-7 (methanesulfonate)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC(=CS4)C5=CC=CN=C5)C
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078013
Precursor M/Z250.118
Exact Mass498.22
Charge1
Adduct[M+2H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0udi-1291000000-f2e2f823b1870c00bb6d
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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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1CommentMasitinib (AB1010)Dorrestein[M+2H]Garg_Neha250.118negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings