| SpectraBase Spectrum ID |
2a25IjaJFid |
| Name |
m-Nitrobenzoic acid |
| CAS Registry Number |
121-92-6 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
167.021857641 u |
| Formula |
C7H5NO4 |
| InChI |
InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey |
AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
167.120 g/mol |
| Nominal Mass |
167 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
166.014 |
| SMILES |
OC(=O)C1=CC(N(=O)=O)=CC=C1 |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-nitrobenzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_6.4 |
