| SpectraBase Spectrum ID |
8n2ywpSFrVe |
| Name |
Amitrole |
| CAS Registry Number |
61-82-5 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
84.043596145 u |
| Formula |
C2H4N4 |
| InChI |
InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) |
| InChIKey |
KLSJWNVTNUYHDU-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
84.082 g/mol |
| Nominal Mass |
84 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
85.0509 |
| SMILES |
N1C(=NC=N1)N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1H-1,2,4-triazol-5-amine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_54.4 |
