Ochratoxin B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000795
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000795 contains the MS2 mass spectrum of Ochratoxin B with the InChIkey DAEYIVCTQUFNTM-ABAIWWIYSA-N.
Source: Ochratoxin B
Chemical Info
| InChI | InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 |
| InChI Key | DAEYIVCTQUFNTM-ABAIWWIYSA-N |
| Molecular Formula | C20H19NO6 |
| Exact Mass | 369.121 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 | f4f59412-9145-4eac-a223-77607bb2550c |
| Package id | msbnk-aafc-ac000795 |
| Resource type | HTML |
| State | active |