Aldosterone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100826_B8BB
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100826_B8BB contains the MS2 mass spectrum of Aldosterone with the InChIkey PQSUYGKTWSAVDQ-ZVIOFETBSA-N.
Source: Aldosterone
Chemical Info
| InChI | InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O |
| InChI Key | PQSUYGKTWSAVDQ-ZVIOFETBSA-N |
| Molecular Formula | C21H28O5 |
| Exact Mass | 360.194 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 9d8c3c0b-4930-414d-9d4c-e3abf92f59a1 |
| Package id | msbnk-antwerp_univ-metox_n100826_b8bb |
| Resource type | HTML |
| State | active |