Ochratoxin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000204
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000204 contains the MS2 mass spectrum of Ochratoxin A with the InChIkey RWQKHEORZBHNRI-BMIGLBTASA-N.
Source: Ochratoxin A
Chemical Info
| InChI | InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl |
| InChI Key | RWQKHEORZBHNRI-BMIGLBTASA-N |
| Molecular Formula | C20H18ClNO6 |
| Exact Mass | 403.082 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 401e6ede-a9fa-4647-bc8e-be5a7fea0191 |
| Package id | msbnk-aafc-ac000204 |
| Resource type | HTML |
| State | active |