GNPS Library Spectrum CCMSLIB00000078003

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078003
Compound NameGefitinib (Iressa)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"184475-35-2, 184475-55-6 (HCl)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=C(C=C2C(=C1)N=CN=C2NC3=CC=C(C(=C3)Cl)F)OCCCN4CCOCC4)OC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078003
Precursor M/Z447.159
Exact Mass446.152
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0002-1511900000-d0570bedf59699989575
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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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1CommentGefitinib (Iressa)Dorrestein[M+H]Garg_Neha447.159negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings