GNPS Library Spectrum CCMSLIB00000078205

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078205
Compound NameRiluzole (Rilutek)
PIDorrestein
Data CollectorGarg_Neha
CAS Number1744-22-5
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC12=C(C=CC(=C1)OC(F)(F)F)N=C(S2)N
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078205
Precursor M/Z235.015
Exact Mass234.007
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-000i-2590000000-5a9d0f7cdad7e4f2ec6b
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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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1CommentRiluzole (Rilutek)Dorrestein[M+H]Garg_Neha235.015negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings