| SpectraBase Spectrum ID |
3W3Lv7LBcu |
| Name |
Metronidazole |
| CAS Registry Number |
443-48-1 |
| Classification |
Antiamebic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
171.064391159 u |
| Formula |
C6H9N3O3 |
| InChI |
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
| InChIKey |
VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.156 g/mol |
| SMILES |
c1(cnc(C)[n]1CCO)N(=O)=O |
| SPLASH |
splash10-0ul0-9300000000-cbe7fc74c7582c150e24 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G P U |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1137 |
