| SpectraBase Spectrum ID |
G2QeYaLLxno |
| Name |
Orotic acid |
| CAS Registry Number |
65-86-1 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
156.017106613 u |
| Formula |
C5H4N2O4 |
| InChI |
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
| InChIKey |
PXQPEWDEAKTCGB-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
156.097 g/mol |
| Nominal Mass |
156 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
155.01 |
| SMILES |
N1C(=O)NC(C=C1C(O)=O)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2,4-dioxo-1H-pyrimidine-6-carboxylic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_106.7 |
