T-2 Toxin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000236
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000236 contains the MS2 mass spectrum of T-2 Toxin with the InChIkey BXFOFFBJRFZBQZ-QYWOHJEZSA-N.
Source: T-2 Toxin
Chemical Info
| InChI | InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChI Key | BXFOFFBJRFZBQZ-QYWOHJEZSA-N |
| Molecular Formula | C24H34O9 |
| Exact Mass | 466.220 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 | ab2b51f5-b4b8-453f-b14a-97cc3f6008bc |
| Package id | msbnk-aafc-ac000236 |
| Resource type | HTML |
| State | active |