Dataset

OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS028209 contains the MS2 mass spectrum of OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone with the InChIkey UCUNFLYVYCGDHP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
SMILES CS(=O)(=O)CCC(C(=O)O)N
InChI Key UCUNFLYVYCGDHP-UHFFFAOYSA-N
Molecular Formula C5H11NO4S
Exact Mass 181.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS028209
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:15:12.527818
MetadataModified 2025-02-09T19:06:31.470646
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL204462 SureChEMBL
MCULE-8107053430 Mcule
DTXSID50875588 EPA CompTox Dashboard
69961 PubChem
PD040811 ProbesDrugs
14748375 PubChem: Thomson Pharma
7314-32-1 ACToR
820-10-0 ACToR
1118-85-0 ACToR
526475 eMolecules
5503K54L0R FDA SRS
132188 ChEBI
J533.244C Nikkaji
HMDB0242144 Human Metabolome Database
223087 Brenda
CB8387703 ChemicalBook
The data in this table is sourced from UniChem at EBI.