Dataset

L-Thyronine; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092513 contains the MS2 mass spectrum of L-Thyronine with the InChIkey KKCIOUWDFWQUBT-AWEZNQCLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1
SMILES N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O
InChI Key KKCIOUWDFWQUBT-AWEZNQCLSA-N
Molecular Formula C15H15NO4
Exact Mass 273.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092513
Version
Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • (2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5741582 ChemicalBook
    CB41481257 ChemicalBook
    ZINC000000403598 ZINC
    E4QN8G00CV FDA SRS
    J206.836B Nikkaji
    30662 ChEBI
    45624 Brenda
    HMDB0000667 Human Metabolome Database
    6951210 PubChem
    56334604 PubChem: Thomson Pharma
    5461103 PubChem
    SCHEMBL285217 SureChEMBL
    6875830 eMolecules
    The data in this table is sourced from UniChem at EBI.