| SpectraBase Spectrum ID |
BSPkpOhDnpS |
| Name |
Paraquat |
| CAS Registry Number |
4685-14-7 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
186.115698459 u |
| Formula |
C12H14N2 |
| InChI |
InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2 |
| InChIKey |
INFDPOAKFNIJBF-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
186.258 g/mol |
| Nominal Mass |
186 u |
| Precursor Ion |
[M+2H]2+ |
| Precursor m/z |
93.0573 |
| SMILES |
C1=[N+](C=CC(=C1)C1=CC=[N+](C=C1)C)C |
| Selected Ion Charge |
2 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_702.4 |
