Dataset

Triamcinolone acetonide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU282601 contains the MS2 mass spectrum of Triamcinolone acetonide with the InChIkey YNDXUCZADRHECN-JNQJZLCISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
SMILES [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
InChI Key YNDXUCZADRHECN-JNQJZLCISA-N
Molecular Formula C24H31FO6
Exact Mass 434.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU282601
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MetadataPublished 2019-05-31
Related Molecule
  • (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:71418 chebi
    1TA rcsb_pdb
    CHEMBL1504 chembl
    4689 surechembl
    6436 pubchem
    F446C597KA fdasrs
    PD003160 probes_and_drugs
    HEQMUM CCDC
    Molport-002-529-154 molport
    2726 drugcentral
    50248362 bindingdb
    The data in this table is sourced from UniChem at EBI.