| SpectraBase Spectrum ID |
K7AjWhYJiKG |
| Name |
Picric acid |
| CAS Registry Number |
88-89-1 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
228.997099442 u |
| Formula |
C6H3N3O7 |
| InChI |
InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H |
| InChIKey |
OXNIZHLAWKMVMX-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
229.104 g/mol |
| Nominal Mass |
229 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
227.99 |
| SMILES |
OC1=C(N(=O)=O)C=C(N(=O)=O)C=C1N(=O)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2,4,6-trinitrophenol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_118.5 |
