| SpectraBase Spectrum ID |
81BEhycRtY7 |
| Name |
3-Nitroanilin |
| CAS Registry Number |
99-09-2 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
138.042927439 u |
| Formula |
C6H6N2O2 |
| InChI |
InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2 |
| InChIKey |
XJCVRTZCHMZPBD-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
138.126 g/mol |
| Nominal Mass |
138 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
139.05 |
| SMILES |
NC1=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-nitroaniline |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_643.6 |
