3-Desmethyltrimethoprim
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01154309
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01154309 contains the MS2 mass spectrum of 3-Desmethyltrimethoprim with the InChIkey HWBPOLWLLFXEJY-UHFFFAOYSA-N.
Source: 3-Desmethyltrimethoprim
Chemical Info
| InChI | InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N |
| InChI Key | HWBPOLWLLFXEJY-UHFFFAOYSA-N |
| Molecular Formula | C13H16N4O3 |
| Exact Mass | 276.122 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 0b0c099f-7a0e-4486-9f82-550e38bd600d |
| Package id | msbnk-eawag-eq01154309 |
| Resource type | HTML |
| State | active |