Dataset

Triamcinolone acetonide; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA225013D9F1PH contains the MS2 mass spectrum of Triamcinolone acetonide with the InChIkey YNDXUCZADRHECN-JNQJZLCISA-N.

Chemical Information

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

Triamcinolone acetonideHTML

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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

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA225013D9F1PH
Version
Author
Maintainer
Language
MetadataPublished	2023-08-12
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
1TA	pdbe
DTXSID6021371	comptox
NCT00071227	clinicaltrials
NCT00100009	clinicaltrials
NCT00101764	clinicaltrials
NCT00105404	clinicaltrials
NCT00106132	clinicaltrials
NCT00140803	clinicaltrials
NCT00148551	clinicaltrials
NCT00229918	clinicaltrials
NCT00231023	clinicaltrials
NCT00242580	clinicaltrials
NCT00279916	clinicaltrials
NCT00305630	clinicaltrials
NCT00309192	clinicaltrials
NCT00344942	clinicaltrials
NCT00367133	clinicaltrials
NCT00369863	clinicaltrials
NCT00370370	clinicaltrials
NCT00370539	clinicaltrials
NCT00370669	clinicaltrials
NCT00371410	clinicaltrials
NCT00373282	clinicaltrials
NCT00398866	clinicaltrials
NCT00407849	clinicaltrials
NCT00411333	clinicaltrials
NCT00443521	clinicaltrials
NCT00444600	clinicaltrials
NCT00445003	clinicaltrials
NCT00449072	clinicaltrials
NCT00464347	clinicaltrials
NCT00473083	clinicaltrials
NCT00476918	clinicaltrials
NCT00484679	clinicaltrials
NCT00532415	clinicaltrials
NCT00554476	clinicaltrials
NCT00565019	clinicaltrials
NCT00600301	clinicaltrials
NCT00665977	clinicaltrials
NCT00692614	clinicaltrials
NCT00779792	clinicaltrials
NCT00798369	clinicaltrials
NCT00801450	clinicaltrials
NCT00811200	clinicaltrials
NCT00815360	clinicaltrials
NCT00853905	clinicaltrials
NCT00874744	clinicaltrials
NCT00890968	clinicaltrials
NCT00915837	clinicaltrials
NCT00941473	clinicaltrials
NCT00987233	clinicaltrials
NCT01029652	clinicaltrials
NCT01044329	clinicaltrials
NCT01045694	clinicaltrials
NCT01051648	clinicaltrials
NCT01073995	clinicaltrials
NCT01080131	clinicaltrials
NCT01095809	clinicaltrials
NCT01154153	clinicaltrials
NCT01178697	clinicaltrials
NCT01230424	clinicaltrials
NCT01249937	clinicaltrials
NCT01356602	clinicaltrials
NCT01362608	clinicaltrials
NCT01470989	clinicaltrials
NCT01473277	clinicaltrials
NCT01487161	clinicaltrials
NCT01487200	clinicaltrials
NCT01524744	clinicaltrials
NCT01544283	clinicaltrials
NCT01570985	clinicaltrials
NCT01572350	clinicaltrials
NCT01652495	clinicaltrials
NCT01688362	clinicaltrials
NCT01692756	clinicaltrials
NCT01720056	clinicaltrials
NCT01766609	clinicaltrials
NCT01774474	clinicaltrials
NCT01789320	clinicaltrials
NCT01797432	clinicaltrials
NCT01874574	clinicaltrials
NCT01978301	clinicaltrials
NCT02003365	clinicaltrials
NCT02022722	clinicaltrials
NCT02022930	clinicaltrials
NCT02025023	clinicaltrials
NCT02025023	clinicaltrials
NCT02031367	clinicaltrials
NCT02075749	clinicaltrials
NCT02116972	clinicaltrials
NCT02120261	clinicaltrials
NCT02221453	clinicaltrials
NCT02294656	clinicaltrials
NCT02328118	clinicaltrials
NCT02329288	clinicaltrials
NCT02329600	clinicaltrials
NCT02357459	clinicaltrials
NCT02379000	clinicaltrials
NCT02447185	clinicaltrials
NCT02453503	clinicaltrials
NCT02465606	clinicaltrials
NCT02468583	clinicaltrials
NCT02592629	clinicaltrials
NCT02598869	clinicaltrials
NCT02613455	clinicaltrials
NCT02618603	clinicaltrials
NCT02637323	clinicaltrials
NCT02762370	clinicaltrials
NCT02767635	clinicaltrials
NCT02806752	clinicaltrials
NCT02828163	clinicaltrials
NCT02858297	clinicaltrials
NCT02873026	clinicaltrials
NCT02877485	clinicaltrials
NCT02917564	clinicaltrials
NCT02985619	clinicaltrials
NCT03002974	clinicaltrials
NCT03046446	clinicaltrials
NCT03120923	clinicaltrials
NCT03131882	clinicaltrials
NCT03166761	clinicaltrials
NCT03245671	clinicaltrials
NCT03248856	clinicaltrials
NCT03293368	clinicaltrials
NCT03319784	clinicaltrials
NCT03378076	clinicaltrials
NCT03382262	clinicaltrials
NCT03382821	clinicaltrials
NCT03382925	clinicaltrials
NCT03413059	clinicaltrials
NCT03463915	clinicaltrials
NCT03473600	clinicaltrials
NCT03529942	clinicaltrials
NCT03535233	clinicaltrials
NCT03572959	clinicaltrials
NCT03627741	clinicaltrials
NCT03634852	clinicaltrials
NCT03636373	clinicaltrials
NCT03704584	clinicaltrials
NCT03758365	clinicaltrials
NCT03793010	clinicaltrials
NCT03895840	clinicaltrials
NCT03914092	clinicaltrials
NCT03991936	clinicaltrials
NCT03995641	clinicaltrials
NCT04002037	clinicaltrials
NCT04002362	clinicaltrials
NCT04003376	clinicaltrials
NCT04065074	clinicaltrials
NCT04075136	clinicaltrials
NCT04094298	clinicaltrials
NCT04115644	clinicaltrials
NCT04160091	clinicaltrials
NCT04182672	clinicaltrials
NCT04207931	clinicaltrials
NCT04216017	clinicaltrials
NCT04261049	clinicaltrials
NCT04326959	clinicaltrials
NCT04331002	clinicaltrials
NCT04347733	clinicaltrials
NCT04391621	clinicaltrials
NCT04468542	clinicaltrials
NCT04469075	clinicaltrials
NCT04498260	clinicaltrials
NCT04598542	clinicaltrials
NCT04641351	clinicaltrials
NCT04645303	clinicaltrials
NCT04658836	clinicaltrials
NCT04660786	clinicaltrials
NCT04690608	clinicaltrials
NCT04701593	clinicaltrials
NCT04731233	clinicaltrials
NCT04744623	clinicaltrials
NCT04744675	clinicaltrials
NCT04786210	clinicaltrials
NCT04831255	clinicaltrials
NCT04863183	clinicaltrials
NCT04885972	clinicaltrials
NCT04895280	clinicaltrials
NCT04976673	clinicaltrials
NCT04994951	clinicaltrials
NCT05005000	clinicaltrials
NCT05031143	clinicaltrials
NCT05048264	clinicaltrials
NCT05058209	clinicaltrials
NCT05139875	clinicaltrials
NCT05158699	clinicaltrials
NCT05190770	clinicaltrials
NCT05331664	clinicaltrials
NCT05336968	clinicaltrials
NCT05337332	clinicaltrials
NCT05413330	clinicaltrials
NCT05429450	clinicaltrials
NCT05436535	clinicaltrials
NCT05438277	clinicaltrials
NCT05492851	clinicaltrials
NCT05512962	clinicaltrials
NCT05535738	clinicaltrials
NCT05567081	clinicaltrials
NCT05648032	clinicaltrials
NCT05657496	clinicaltrials
NCT05806021	clinicaltrials
NCT05844618	clinicaltrials
NCT05882864	clinicaltrials
NCT05887804	clinicaltrials
NCT05893108	clinicaltrials
NCT05906433	clinicaltrials
NCT05939817	clinicaltrials
NCT06079645	clinicaltrials
NCT06084364	clinicaltrials
NCT06135259	clinicaltrials
NCT06230146	clinicaltrials
NCT06237153	clinicaltrials
NCT06269705	clinicaltrials
NCT06279507	clinicaltrials
NCT06362005	clinicaltrials
Molport-002-529-154	molport
2726	drugcentral
50248362	bindingdb
The data in this table is sourced from UniChem at EBI.