| SpectraBase Spectrum ID |
9eFJgEdKjdo |
| Name |
Niacin |
| CAS Registry Number |
59-67-6 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
123.032028403 u |
| Formula |
C6H5NO2 |
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| InChIKey |
PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
123.111 g/mol |
| Nominal Mass |
123 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
124.039 |
| SMILES |
OC(=O)C=1C=CC=NC1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
pyridine-3-carboxylic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_633.2 |
