Metronidazole
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001391
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001391 contains the MS mass spectrum of Metronidazole with the InChIkey VAOCPAMSLUNLGC-UHFFFAOYSA-N.
Source: Metronidazole
Chemical Info
| InChI | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
|---|---|
| SMILES | OCCn(c(C)1)c(cn1)[N+1]([O-1])=O |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O3 |
| Exact Mass | 171.064 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 | fbf5ac19-3141-4538-90c4-9eac6f4bd19c |
| Package id | msbnk-waters-wa001391 |
| Resource type | HTML |
| State | active |