| SpectraBase Spectrum ID |
8OY4KyeKN6c |
| Name |
Metronidazole |
| CAS Registry Number |
443-48-1 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. 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 |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
171.156 g/mol |
| Nominal Mass |
171 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
172.072 |
| SMILES |
OCCN1C(=NC=C1N(=O)=O)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-(2-methyl-5-nitroimidazol-1-yl)ethanol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_570.10 |
