Dataset

Dydrogesterone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM874701 contains the MS2 mass spectrum of Dydrogesterone with the InChIkey JGMOKGBVKVMRFX-HQZYFCCVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
InChI Key JGMOKGBVKVMRFX-HQZYFCCVSA-N
Molecular Formula C21H28O2
Exact Mass 312.209 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-CASMI_2016-SM874701
Version
Author
Maintainer
Language
MetadataPublished 2016-12-12
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    Measurement Technique liquid chromatography-mass spectrometry
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    The data in this table is sourced from UniChem at EBI.