| SpectraBase Spectrum ID |
3MZcU0CpQli |
| Name |
Dyphylline |
| CAS Registry Number |
479-18-5 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
254.101504943 u |
| Formula |
C10H14N4O4 |
| InChI |
InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 |
| InChIKey |
KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
254.246 g/mol |
| Nominal Mass |
254 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
255.109 |
| SMILES |
OC(CO)CN1C2=C(N(C(=O)N(C2=O)C)C)N=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_304.2 |
