Dataset

Tyrosine; LC-ESI-QFT; MS2; NEGATIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA002P0180000 contains the MS2 mass spectrum of Tyrosine with the InChIkey OUYCCCASQSFEME-QMMMGPOBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
SMILES C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
InChI Key OUYCCCASQSFEME-QMMMGPOBSA-N
Molecular Formula C9H11NO3
Exact Mass 181.074 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-HSA002P0180000
Version
Author
Maintainer
Language
MetadataPublished 2023-12-15
Related Molecule
  • (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00135 drugbank
    CHEBI:17895 chebi
    CHEBI:58315 chebi
    TYR rcsb_pdb
    CHEMBL925 chembl
    1581 surechembl
    6057 pubchem
    6942100 pubchem
    42HK56048U fdasrs
    PD007194 probes_and_drugs
    LTYROS CCDC
    109 brenda
    185000 brenda
    20761 brenda
    229017 brenda
    233214 brenda
    30315 brenda
    415 brenda
    45800 brenda
    47528 brenda
    618 brenda
    709 brenda
    HMDB0000158 hmdb
    2786 drugcentral
    18129 bindingdb
    The data in this table is sourced from UniChem at EBI.