Triticonazole
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000105
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000105 contains the MS2 mass spectrum of Triticonazole with the InChIkey PPDBOQMNKNNODG-NTEUORMPSA-N.
Source: Triticonazole
Chemical Info
| InChI | InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+ |
|---|---|
| SMILES | Clc(c3)ccc(c3)C=C(C1)C(O)(Cn(c2)ncn2)C(C)(C)C1 |
| InChI Key | PPDBOQMNKNNODG-NTEUORMPSA-N |
| Molecular Formula | C17H20ClN3O |
| Exact Mass | 317.129 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 | 9a75da04-ab57-4eac-bb6f-cadfa150d4a3 |
| Package id | msbnk-waters-wa000105 |
| Resource type | HTML |
| State | active |