GNPS Library Spectrum CCMSLIB00000579369

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000579369
Compound NameTorasemide
PICASMI
Data CollectorCASMI2016
Pubmed4679
CAS NumberN/A
Original Submitterlfnothias
Most Recent Revisorlfnothias
Library QualityGold Spectrum
SmilesCC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1
InChI"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:CASMI:accession:CCMSLIB00000579369
Precursor M/Z347.118
Exact Mass0.0
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion Mode Negative
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipCASMI
SPLASH Keynull-null-null-null
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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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1CommentTorasemideCASMIM-HCASMI2016347.118lfnothias46792016-05-24 18:27:20.0

Spectrum ID Ratings