GNPS Library Spectrum CCMSLIB00000077996

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000077996
Compound NameBortezomib (Velcade)
PIDorrestein
Data CollectorGarg_Neha
CAS Number179324-69-7
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1=CN=CC(=N1)C(N[C@H](C(N[C@H](B(O)O)CC(C)C)=O)CC2=CC=CC=C2)=O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000077996
Precursor M/Z367.194
Exact Mass384.197
Charge1
Adduct[M-H2O]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-016r-1397000000-e168634cfe7e1453d742
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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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1CommentBortezomib (Velcade)Dorrestein[M-H2O]Garg_Neha367.194negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings