GNPS Library Spectrum CCMSLIB00000078176

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078176
Compound NameCyclosporine (Neoral)
PIDorrestein
Data CollectorGarg_Neha
CAS Number79217-60-0
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(N(C)C(C(NC(C(NC(C(CC(C)C)N(C(C(NC(C(CC(C)C)N(C)C(=O)CN(C)C(C(CC)NC(C(N(C(C(N(C(=O)C(N(C)C1=O)CC(C)C)C)C(C)C)=O)C)[C@@H]([C@@H](C/C=C/C)C)O)=O)=O)=O)C(C)C)=O)C)=O)C)=O)C)=O)CC(C)C
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078176
Precursor M/Z601.928
Exact Mass1201.84
Charge1
Adduct[M+2H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0udi-1673249001-8dbd78bf79f4a7493834
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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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1CommentCyclosporine (Neoral)Dorrestein[M+2H]Garg_Neha601.928negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings