Fumonisin B2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000485
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000485 contains the MS2 mass spectrum of Fumonisin B2 with the InChIkey UXDPXZQHTDAXOZ-STOIETHLSA-N.
Source: Fumonisin B2
Chemical Info
| InChI | InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1 |
|---|---|
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
| InChI Key | UXDPXZQHTDAXOZ-STOIETHLSA-N |
| Molecular Formula | C34H59NO14 |
| Exact Mass | 705.394 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 | 7bf2b962-eeab-491c-8e12-2fb563340495 |
| Package id | msbnk-aafc-ac000485 |
| Resource type | HTML |
| State | active |