Ochratoxin B ethyl ester
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000800
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000800 contains the MS2 mass spectrum of Ochratoxin B ethyl ester with the InChIkey XXAVUHHKDMGGBR-UHFFFAOYSA-N.
Source: Ochratoxin B ethyl ester
Chemical Info
| InChI | InChI=1S/C22H23NO6/c1-3-28-21(26)17(12-14-7-5-4-6-8-14)23-20(25)16-10-9-15-11-13(2)29-22(27)18(15)19(16)24/h4-10,13,17,24H,3,11-12H2,1-2H3,(H,23,25) |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=C(CC(OC3=O)C)C=C2)O |
| InChI Key | XXAVUHHKDMGGBR-UHFFFAOYSA-N |
| Molecular Formula | C22H23NO6 |
| Exact Mass | 397.153 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 | fd84e885-60f8-4fb4-b263-c83adeaa29ea |
| Package id | msbnk-aafc-ac000800 |
| Resource type | HTML |
| State | active |