Tritoqualine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000448
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000448 contains the MS mass spectrum of Tritoqualine with the InChIkey HPZAECZDDHOSOA-UHFFFAOYSA-N.
Source: Tritoqualine
Chemical Info
| InChI | InChI=1S/C26H32N2O8/c1-6-31-23-18-17(19(27)24(32-7-2)25(23)33-8-3)26(29)36-21(18)15-10-14-13(11-28(15)4)9-16-22(20(14)30-5)35-12-34-16/h9,15,21H,6-8,10-12,27H2,1-5H3 |
|---|---|
| SMILES | O(c(c1OCC)c(c(C2C(N3C)Cc(c5OC)c(cc(c45)OCO4)C3)c(C(O2)=O)c1N)OCC)CC |
| InChI Key | HPZAECZDDHOSOA-UHFFFAOYSA-N |
| Molecular Formula | C26H32N2O8 |
| Exact Mass | 500.216 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 1de0f43f-151e-4a85-bfc5-e01aff8eeb08 |
| Package id | msbnk-waters-wa000448 |
| Resource type | HTML |
| State | active |