Fumonisin B1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000473
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000473 contains the MS2 mass spectrum of Fumonisin B1 with the InChIkey UVBUBMSSQKOIBE-DSLOAKGESA-N.
Source: Fumonisin B1
Chemical Info
| InChI | InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 |
|---|---|
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)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 | UVBUBMSSQKOIBE-DSLOAKGESA-N |
| Molecular Formula | C34H59NO15 |
| Exact Mass | 721.388 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 | 8d2c1bc4-bba5-4892-b6c0-9a67a1fd563f |
| Package id | msbnk-aafc-ac000473 |
| Resource type | HTML |
| State | active |