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
    6942100 PubChem
    60018698 NMRShiftDB
    PD007194 ProbesDrugs
    42HK56048U FDA SRS
    15147336 PubChem: Thomson Pharma
    140-43-2 ACToR
    25619-78-7 ACToR
    tyr_L Recon
    514474 eMolecules
    26757083 eMolecules
    tyrosine DailyMed
    CB1269334 ChemicalBook
    58315 Rhea
    HMDB0000158 Human Metabolome Database
    109 Brenda
    618 Brenda
    47528 Brenda
    30315 Brenda
    415 Brenda
    20761 Brenda
    45800 Brenda
    709 Brenda
    MTBLC58315 Metabolights
    MTBLC17895 Metabolights
    PA451822 PharmGKB
    MCULE-8059108702 Mcule
    6057 PubChem
    MCULE-2932088896 Mcule
    SCHEMBL1581 SureChEMBL
    DB00135 DrugBank
    C00082 KEGG Ligand
    CHEMBL925 ChEMBL
    58315 ChEBI
    17895 ChEBI
    TYR PDBe
    15195185 PubChem: Thomson Pharma
    TYROSINE DailyMed
    229017 Brenda
    TYROSINE rxnorm
    L-TYROSINE clinicaltrials
    TYROSINE clinicaltrials
    CB41381672 ChemicalBook
    HY-N0473 MedChemExpress
    233214 Brenda
    DTXSID1023730 EPA CompTox Dashboard
    2786 DrugCentral
    ZINC000000266964 ZINC
    4791 Guide to Pharmacology
    J9.173A Nikkaji
    LTYROS CCDC
    18129 BindingDB
    The data in this table is sourced from UniChem at EBI.