Glycohyodeoxycholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP008201
Dataset description:
This MassBank record with Accession MSBNK-BGC_Munich-RP008201 contains the MS2 mass spectrum of Glycohyodeoxycholic acid with the InChIkey SPOIYSFQOFYOFZ-UHFFFAOYSA-N.
Source: Glycohyodeoxycholic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
Chemical Info
| InChI | InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32) |
|---|---|
| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C |
| InChI Key | SPOIYSFQOFYOFZ-UHFFFAOYSA-N |
| Exact Mass | 449.314 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 4.0 International (CC BY 4.0) |
| Id | ea32d2c2-630f-477f-915d-d2bdcc6dfc12 |
| Package id | msbnk-bgc_munich-rp008201 |
| Resource type | HTML |
| State | active |