Guanidinoethyl sulfonate

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Systematic / IUPAC Name: 2-(Diaminomethylideneamino)ethanesulfonic acid

ID: Reference13992

Other Names: 2-((Aminoiminomethyl)amino)ethanesulfonic acid;
AA-3992

Formula: C3H9N3O3S

Class: Endogenous Metabolites

Spectral Data

Guanidinoethyl sulfonate 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 439
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2026 9:43:15 AM
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Identificators

InChI InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChI Key JKLRIMRKZBSSED-UHFFFAOYSA-N
Canonical SMILES N=C(N)NCCS(=O)(=O)O
CAS
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Other Names 2-((Aminoiminomethyl)amino)ethanesulfonic acid;
AA-3992

In Other Databases

ChemSpider 61635
PubChem 7098628
ChEBI CHEBI:17228
HMDb HMDB0003584; HMDB0003584
KEGG C01959
ChEMBL CHEMBL21832