| SpectraBase Spectrum ID |
9T97xi5jpEM |
| Name |
Systhane |
| CAS Registry Number |
88671-89-0 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
288.114174263 u |
| Formula |
C15H17ClN4 |
| InChI |
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3 |
| InChIKey |
HZJKXKUJVSEEFU-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
288.782 g/mol |
| Nominal Mass |
288 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
289.122 |
| SMILES |
C1(Cl)=CC=C(C(CCCC)(CN2N=CN=C2)C#N)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_598.5 |
