| SpectraBase Spectrum ID |
6EKe2KVThOm |
| Name |
Isopyrin |
| CAS Registry Number |
3615-24-5 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
245.152812243 u |
| Formula |
C14H19N3O |
| InChI |
InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3 |
| InChIKey |
XOZLRRYPUKAKMU-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
245.326 g/mol |
| Nominal Mass |
245 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
246.16 |
| SMILES |
N(C1=C(N(N(C1=O)C1=CC=CC=C1)C)C)C(C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_451.10 |
