Dataset

Trimethylsulfonium; LC-ESI-QQ; MS2; CE:40 V; M+

This MassBank record with Accession MSBNK-Keio_Univ-KO004199 contains the MS2 mass spectrum of Trimethylsulfonium with the InChIkey NRZWQKGABZFFKE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
SMILES C[S+1](C)C
InChI Key NRZWQKGABZFFKE-UHFFFAOYSA-N
Molecular Formula [C3H9S]+
Exact Mass 77.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO004199
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • trimethylsulfanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:17434 chebi
    CHEMBL1237171 chembl
    19565 surechembl
    1147 pubchem
    8U5M0SJV65 fdasrs
    BEBXEP CCDC
    16002 brenda
    178452 brenda
    HMDB0012295 hmdb
    50026468 bindingdb
    The data in this table is sourced from UniChem at EBI.