Deoxynivalenol-3-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000363
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000363 contains the MS2 mass spectrum of Deoxynivalenol-3-glucoside with the InChIkey PUMXWMGECQIOGB-SMSDQXDJSA-N.
Source: Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 20; R=17500; [M+H]+
Chemical Info
| InChI | InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO |
| InChI Key | PUMXWMGECQIOGB-SMSDQXDJSA-N |
| Exact Mass | 458.179 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 | 137e8afa-7df5-4785-a2fa-864eb9fd686d |
| Package id | msbnk-aafc-ac000363 |
| Resource type | HTML |
| State | active |