Dataset

Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS071209 contains the MS2 mass spectrum of Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution with the InChIkey ZNEWHQLOPFWXOF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
SMILES C(CS(=O)(=O)O)S
InChI Key ZNEWHQLOPFWXOF-UHFFFAOYSA-N
Molecular Formula C2H6O3S2
Exact Mass 142.197 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-PS071209
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:47.591800
MetadataModified 2024-01-11T21:07:47.771357
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C03576 KEGG Ligand
17905 ChEBI
COM PDBe
525723 eMolecules
DTXSID8023264 EPA CompTox Dashboard
1711 DrugCentral
ZINC000003831040 ZINC
MESNA DailyMed
2-MERCAPTOETHANESULFONIC ACID rxnorm
MESNA rxnorm
D 7093 clinicaltrials
D-7093 clinicaltrials
UROMITEXAN clinicaltrials
NSC-113891 clinicaltrials
MESNA clinicaltrials
MESNEX clinicaltrials
MESNEX rxnorm
32042 Brenda
134199 Brenda
1614 Brenda
16655 Brenda
HMDB0003745 Human Metabolome Database
8403 Brenda
168515 Brenda
6430 Brenda
CB8186041 ChemicalBook
159738 Brenda
DB09110 DrugBank
598 PubChem
J135.783B Nikkaji
SCHEMBL80705 SureChEMBL
PD014327 ProbesDrugs
VHD28S0H7F FDA SRS
CHEMBL1098319 ChEMBL
15194620 PubChem: Thomson Pharma
3375-50-6 ACToR
LSM-6047 LINCS
The data in this table is sourced from UniChem at EBI.