Dataset

Methionine; LC-ESI-QFT; MS2; POSITIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA001P0150001 contains the MS2 mass spectrum of Methionine with the InChIkey FFEARJCKVFRZRR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
SMILES CSCCC(C(=O)O)N
InChI Key FFEARJCKVFRZRR-UHFFFAOYSA-N
Molecular Formula C5H11NO2S
Exact Mass 149.051 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-SMB_Measured-HSA001P0150001
Version
Author
Maintainer
Language
MetadataPublished 2023-12-15
Related Molecule
  • 2-amino-4-methylsulfanylbutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13972 drugbank
    CHEBI:16811 chebi
    CHEBI:64558 chebi
    CHEMBL274119 chembl
    20553497 surechembl
    4225 surechembl
    135373086 pubchem
    5255805 pubchem
    876 pubchem
    73JWT2K6T3 fdasrs
    4814 gtopdb
    PD062584 probes_and_drugs
    DLMETA CCDC
    126787 brenda
    4520 brenda
    56962 brenda
    75862 brenda
    HMDB0033951 hmdb
    Molport-000-928-154 molport
    The data in this table is sourced from UniChem at EBI.