GNPS Library Spectrum CCMSLIB00000004223

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000004223
Compound NameDorzolamideHCl
PISirenas
Data CollectorEd Esquenazi
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesCC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
InChIInChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART1:accession:CCMSLIB00000004223
Precursor M/Z325.035
Exact Mass201.079
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SELLECKCHEM-FDA-PART1
SPLASH Keysplash10-000i-0910000000-9b9e20a5187afae12ea2
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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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1CommentDorzolamideHClSirenasM+HEd Esquenazi 325.035kimkami2N/A2021-03-18 20:17:13.0
2CommentDorzolamideHClSirenasM+HEd Esquenazi 325.035mwang87N/A2014-02-06 15:58:45.0

Spectrum ID Ratings