Dataset

Dexamethasone; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF415554 contains the MS2 mass spectrum of Dexamethasone with the InChIkey UREBDLICKHMUKA-CXSFZGCWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI Key UREBDLICKHMUKA-CXSFZGCWSA-N
Molecular Formula C22H29FO5
Exact Mass 392.200 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-UFZ-UF415554
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01234 drugbank
    DEX rcsb_pdb
    CHEMBL384467 chembl
    3774 surechembl
    5743 pubchem
    LMST02030339 lipidmaps
    PD003027 probes_and_drugs
    DEXMET CCDC
    1159 brenda
    147690 brenda
    152027 brenda
    48978 brenda
    48979 brenda
    7S5I7G3JQL fdasrs
    HMDB0015364 hmdb
    1243082 bindingdb
    176646 bindingdb
    176671 bindingdb
    188782 bindingdb
    188924 bindingdb
    232817 bindingdb
    294315 bindingdb
    33125 bindingdb
    33153 bindingdb
    50002158 bindingdb
    50067274 bindingdb
    50067290 bindingdb
    50068891 bindingdb
    50071615 bindingdb
    50080249 bindingdb
    50080255 bindingdb
    50080272 bindingdb
    50080289 bindingdb
    50080306 bindingdb
    50243479 bindingdb
    50262303 bindingdb
    50273642 bindingdb
    50273732 bindingdb
    50273756 bindingdb
    50274080 bindingdb
    50274111 bindingdb
    50274118 bindingdb
    50328473 bindingdb
    50328705 bindingdb
    50328745 bindingdb
    50375341 bindingdb
    50375450 bindingdb
    50376033 bindingdb
    50377070 bindingdb
    50480769 bindingdb
    50529202 bindingdb
    50529213 bindingdb
    50529241 bindingdb
    50529268 bindingdb
    50547414 bindingdb
    50627418 bindingdb
    50698884 bindingdb
    50699088 bindingdb
    50699089 bindingdb
    50699090 bindingdb
    50699101 bindingdb
    50699106 bindingdb
    50699150 bindingdb
    50723518 bindingdb
    50723522 bindingdb
    50723631 bindingdb
    50723654 bindingdb
    50739585 bindingdb
    50754009 bindingdb
    50772199 bindingdb
    50772474 bindingdb
    50772742 bindingdb
    50773405 bindingdb
    50780318 bindingdb
    50818106 bindingdb
    50818110 bindingdb
    50818132 bindingdb
    50818181 bindingdb
    50818201 bindingdb
    50828001 bindingdb
    50828003 bindingdb
    50828225 bindingdb
    50828297 bindingdb
    50828307 bindingdb
    50828314 bindingdb
    50828535 bindingdb
    50832564 bindingdb
    50841680 bindingdb
    50841717 bindingdb
    50841733 bindingdb
    50847076 bindingdb
    50847087 bindingdb
    50847088 bindingdb
    50849029 bindingdb
    50849091 bindingdb
    50849107 bindingdb
    50871720 bindingdb
    50872250 bindingdb
    50874336 bindingdb
    50874437 bindingdb
    50874464 bindingdb
    50883011 bindingdb
    50883033 bindingdb
    50883063 bindingdb
    50883080 bindingdb
    50883523 bindingdb
    50906409 bindingdb
    50906410 bindingdb
    50906411 bindingdb
    50906473 bindingdb
    50906475 bindingdb
    50909943 bindingdb
    50911476 bindingdb
    50911486 bindingdb
    50911606 bindingdb
    50918391 bindingdb
    50918394 bindingdb
    50918407 bindingdb
    50918424 bindingdb
    50920654 bindingdb
    50922967 bindingdb
    50922989 bindingdb
    50923011 bindingdb
    50923031 bindingdb
    50923053 bindingdb
    50999512 bindingdb
    51001707 bindingdb
    51004552 bindingdb
    51004580 bindingdb
    51004599 bindingdb
    51004647 bindingdb
    51012374 bindingdb
    51018050 bindingdb
    51018054 bindingdb
    51018061 bindingdb
    51018066 bindingdb
    51018081 bindingdb
    51018088 bindingdb
    51018091 bindingdb
    51018369 bindingdb
    51020244 bindingdb
    51020274 bindingdb
    51020287 bindingdb
    51034652 bindingdb
    51034660 bindingdb
    51039266 bindingdb
    51039267 bindingdb
    51039268 bindingdb
    51040674 bindingdb
    51066080 bindingdb
    51066094 bindingdb
    51066107 bindingdb
    51066112 bindingdb
    51066434 bindingdb
    51076164 bindingdb
    51076183 bindingdb
    51076205 bindingdb
    51076226 bindingdb
    51076522 bindingdb
    51076581 bindingdb
    51076601 bindingdb
    51076602 bindingdb
    51077201 bindingdb
    51077209 bindingdb
    51077213 bindingdb
    51085449 bindingdb
    51085521 bindingdb
    51085534 bindingdb
    51085538 bindingdb
    51093361 bindingdb
    51093367 bindingdb
    51093373 bindingdb
    51093379 bindingdb
    51136728 bindingdb
    51233403 bindingdb
    51238081 bindingdb
    51247580 bindingdb
    51360645 bindingdb
    51407488 bindingdb
    51429944 bindingdb
    51429978 bindingdb
    51473874 bindingdb
    51473892 bindingdb
    51491167 bindingdb
    51514581 bindingdb
    51514638 bindingdb
    51514702 bindingdb
    51514745 bindingdb
    51518773 bindingdb
    51573953 bindingdb
    988345 bindingdb
    Molport-003-846-433 molport
    824 drugcentral
    The data in this table is sourced from UniChem at EBI.