GNPS Library Spectrum CCMSLIB00000579365

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000579365
Compound Name0509_Bisphenol S
PICASMI
Data CollectorCASMI2016
Pubmed4829
CAS NumberN/A
Original Submitterlfnothias
Most Recent Revisorlfnothias
Library QualityGold Spectrum
SmilesOc1ccc(cc1)S(=O)(=O)c1ccc(O)cc1
InChI"InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:CASMI:accession:CCMSLIB00000579365
Precursor M/Z249.023
Exact Mass0.0
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion Mode Negative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
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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1Comment0509_Bisphenol SCASMIM-HCASMI2016249.023lfnothias48292016-05-24 18:27:20.0

Spectrum ID Ratings