Dataset

Hypotaurine; LC-ESI-ITFT; MS2; m/z:126.02; POS

This MassBank record with Accession MSBNK-NAIST-KNA00016 contains the MS2 mass spectrum of Hypotaurine with the InChIkey VVIUBCNYACGLLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
SMILES NCCS(O)=O
InChI Key VVIUBCNYACGLLV-UHFFFAOYSA-N
Molecular Formula C2H7NO2S
Exact Mass 109.020 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NAIST-KNA00016
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-aminoethanesulfinic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J11.604A Nikkaji
    5161 Brenda
    HY-100803 MedChemExpress
    DTXSID8075380 EPA CompTox Dashboard
    5L08GE4332 FDA SRS
    CB3465040 ChemicalBook
    CHEMBL1256480 ChEMBL
    57853 ChEBI
    16668 ChEBI
    C00519 KEGG Ligand
    538970 eMolecules
    300-84-5 ACToR
    hyptaur Recon
    15437093 PubChem: Thomson Pharma
    PD015114 ProbesDrugs
    25244088 PubChem
    107812 PubChem
    60020603 NMRShiftDB
    SCHEMBL154548 SureChEMBL
    MTBLC16668 Metabolights
    MTBLC57853 Metabolights
    HMDB0000965 Human Metabolome Database
    214494 Brenda
    ZINC000003995571 ZINC
    57853 Rhea
    The data in this table is sourced from UniChem at EBI.