Cortisone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA00756
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00756 contains the MS2 mass spectrum of Cortisone with the InChIkey MFYSYFVPBJMHGN-BDQMTFAOSA-N.
Source: Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
Chemical Info
| InChI | InChI=1S/C21H28O5/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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14?,15?,18?,19-,20-,21-/m0/s1 |
|---|---|
| SMILES | C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO |
| InChI Key | MFYSYFVPBJMHGN-BDQMTFAOSA-N |
| Exact Mass | 360.454 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 | 4cd6cf21-298a-4d60-9ff3-4b7681de5641 |
| Package id | msbnk-riken_npdepo-nga00756 |
| Resource type | HTML |
| State | active |