| SpectraBase Spectrum ID |
5XXUziO7osS |
| Name |
Androsterone (-H2O) |
| CAS Registry Number |
963-75-7 |
| Classification |
Steroid hormone metabolite artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
272.214015521 u |
| Formula |
C19H28O |
| InChI |
InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1 |
| InChIKey |
ISJVDMWNISUFRJ-HKQXQEGQSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
272.432 g/mol |
| Nominal Mass |
272 u |
| Quality |
906 |
| Retention Index |
2239 |
| SMILES |
[C@]12([C@@]([C@@]3([C@@](CC2)(CC=CC3)[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H] |
| SPLASH |
splash10-00tf-6960000000-a29b39b198a6c888902c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(5-alpha)-Androst-2-en-17-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000171 |
