GNPS Library Spectrum CCMSLIB00000078033

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078033
Compound NameRitonavir
PIDorrestein
Data CollectorGarg_Neha
CAS Number155213-67-5
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1=CC=CC=C1C[C@@H]([C@H](C[C@H](CC2=CC=CC=C2)NC([C@@H](NC(N(CC3=CSC(=N3)C(C)C)C)=O)C(C)C)=O)O)NC(OCC4=CN=CS4)=O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078033
Precursor M/Z361.164
Exact Mass720.313
Charge1
Adduct[M+2H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-000t-4971130000-6788130f61c4c61a395b
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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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1CommentRitonavirDorrestein[M+2H]Garg_Neha361.164negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings