Dataset

Prednisone

This MassBank record with Accession MSBNK-Waters-WA002459 contains the MS mass spectrum of Prednisone with the InChIkey XOFYZVNMUHMLCC-ZPOLXVRWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
SMILES OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(=O)3)C(C)(C=2)C(=CC(=O)C2)C1
InChI Key XOFYZVNMUHMLCC-ZPOLXVRWSA-N
Molecular Formula C21H26O5
Exact Mass 358.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002459
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:41.207874
MetadataModified 2024-01-11T22:50:41.358634
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables