Isethionic acid

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Systematic / IUPAC Name: 2-Hydroxyethanesulfonic acid

ID: Reference13893

Other Names: AA-4274

Formula: C2H6O4S

Class: Endogenous Metabolites

Spectral Data

Isethionic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 65
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2026 8:45:16 AM
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Identificators

InChI InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
InChI Key SUMDYPCJJOFFON-UHFFFAOYSA-N
Canonical SMILES O=S(=O)(O)CCO
CAS
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Other Names AA-4274

In Other Databases

ChEBI CHEBI:1157
Wikipedia Isethionic acid
ChemSpider 7578
PubChem 7866; 7866
KEGG C05123
HMDb HMDB0003903; HMDB03903