Taurodeoxycholate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP006003
Dataset description:
This MassBank record with Accession MSBNK-BGC_Munich-RP006003 contains the MS2 mass spectrum of Taurodeoxycholate with the InChIkey AWDRATDZQPNJFN-VAYUFCLWSA-N.
Source: Taurodeoxycholate
Chemical Info
| InChI | InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
|---|---|
| SMILES | C[C@H](CC/C(=N/CCS(=O)(=O)O)/O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChI Key | AWDRATDZQPNJFN-VAYUFCLWSA-N |
| Molecular Formula | C26H45NO6S |
| Exact Mass | 499.297 g/mol |
There are no views created for this resource yet.
Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | d620814e-2cde-4f0c-b0ed-60dba3253369 |
| Package id | msbnk-bgc_munich-rp006003 |
| Resource type | HTML |
| State | active |