GNPS Library Spectrum CCMSLIB00000077994

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000077994
Compound NameAxitinib
PIDorrestein
Data CollectorGarg_Neha
CAS Number319460-85-0
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC=CC=C1C(=O)NC)SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000077994
Precursor M/Z387.127
Exact Mass386.12
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-052r-0129000000-7dcde0f91b9466cce9b4
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Spectrum Tags

Datasets ID
Hits 1 ~ 4 out of 4     Go to   
TypeDescriptionDatabaseURLURLRemove Tag
checked only
1Disease StateCancerlinkout
2Drug ClassTyrosine kinase inhibitorlinkout
3IndicationAntitumorlinkout
4IndicationAnticancerlinkout

Spectrum Annotation History

Spectrum Annotations and Comments
Hits 1 ~ 1 out of 1     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentAxitinibDorrestein[M+H]Garg_Neha387.127negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings