Estrone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N104826_9CB7
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N104826_9CB7 contains the MS2 mass spectrum of Estrone with the InChIkey DNXHEGUUPJUMQT-CBZIJGRNSA-N.
Source: Estrone
Chemical Info
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O |
| InChI Key | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.162 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 | f9007b1e-77a4-4757-aee9-bfa3b2fe71e5 |
| Package id | msbnk-antwerp_univ-metox_n104826_9cb7 |
| Resource type | HTML |
| State | active |