| SpectraBase Spectrum ID |
49fyoLYyhCM |
| Name |
Pemoline |
| CAS Registry Number |
2152-34-3 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
176.058577504 u |
| Formula |
C9H8N2O2 |
| InChI |
InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) |
| InChIKey |
NRNCYVBFPDDJNE-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
176.175 g/mol |
| Nominal Mass |
176 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
177.066 |
| SMILES |
NC=1OC(C2=CC=CC=C2)C(=O)N1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-amino-5-phenyl-1,3-oxazol-4-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_706.8 |
