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
    MCULE-5626142345 Mcule
    30000100 NMRShiftDB
    SCHEMBL4225 SureChEMBL
    MTBLC64558 Metabolights
    DB13972 DrugBank
    56962 Brenda
    SCHEMBL20553497 SureChEMBL
    CB6208758 ChemicalBook
    racemethionine DailyMed
    CB9208759 ChemicalBook
    126787 Brenda
    HMDB0033951 Human Metabolome Database
    MTBLC16811 Metabolights
    4520 Brenda
    75862 Brenda
    876 PubChem
    5255805 PubChem
    PD062584 ProbesDrugs
    PEDAMETH clinicaltrials
    64558 ChEBI
    15146825 PubChem: Thomson Pharma
    348-67-4 ACToR
    59-51-8 ACToR
    63-68-3 ACToR
    7005-18-7 ACToR
    495925 eMolecules
    RACEMETHIONINE DailyMed
    RACEMETHIONINE rxnorm
    DL-METHIONINE clinicaltrials
    RACEMETHIONINE clinicaltrials
    86195 BindingDB
    73JWT2K6T3 FDA SRS
    J1.286F Nikkaji
    DLMETA CCDC
    HY-N0325 MedChemExpress
    135373086 PubChem
    DTXSID9020821 EPA CompTox Dashboard
    64558 Rhea
    CHEMBL274119 ChEMBL
    16811 ChEBI
    C01733 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.