| SpectraBase Spectrum ID |
K11JLuAwTkJ |
| Name |
Pentifylline |
| CAS Registry Number |
1028-33-7 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
264.158625898 u |
| Formula |
C13H20N4O2 |
| InChI |
InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3 |
| InChIKey |
MRWQRJMESRRJJB-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
264.329 g/mol |
| Nominal Mass |
264 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
265.166 |
| SMILES |
C1(=O)N(CCCCCC)C(=O)N(C=2N=CN(C12)C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-hexyl-3,7-dimethylpurine-2,6-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_712.2 |
