Dataset

Triamcinolone

This MassBank record with Accession MSBNK-Athens_Univ-AU240057 contains the MS2 mass spectrum of Triamcinolone with the InChIkey GFNANZIMVAIWHM-OBYCQNJPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
InChI Key GFNANZIMVAIWHM-OBYCQNJPSA-N
Molecular Formula C21H27FO6
Exact Mass 394.179 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-AU240057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:56:23.333306
MetadataModified 2025-02-08T19:06:51.873699
MetadataPublished 2019-03-29
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-B0328 MedChemExpress
DTXSID1040742 EPA CompTox Dashboard
2725 DrugCentral
2870 Guide to Pharmacology
J2.508I Nikkaji
QETZUL CCDC
41132 BindingDB
TRIAMCINOLONE DailyMed
TRIAMCINOLONE rxnorm
TRIAMCINOLONE clinicaltrials
ARISTOCORT clinicaltrials
KENACORT clinicaltrials
14903260 PubChem: Thomson Pharma
CHEMBL1451 ChEMBL
DB00620 DrugBank
31307 PubChem
16626033 PubChem: Thomson Pharma
Triamcinolone(Aristocort) Selleck
9667 ChEBI
124-94-7 ACToR
LSM-3736 LINCS
SCHEMBL4447 SureChEMBL
1ZK20VI6TY FDA SRS
PD002598 ProbesDrugs
31267429 eMolecules
494883 eMolecules
CB1734678 ChemicalBook
triamcinolone DailyMed
ZINC000003882036 ZINC
PA451749 PharmGKB
30479 Brenda
HMDB0014758 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.