Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Forensic Science International called Positive and negative ion mass spectrometry of ten xanthine derivatives and their rapid clean-up with Sep-Pak C18 cartridges from biological samples, Author is Kumazawa, Takeshi; Sato, Keizo; Seno, Hiroshi; Ishii, Akira; Suzuki, Osamu, which mentions a compound: 1028-33-7, SMILESS is CN1C=NC(N(C(N2CCCCCC)=O)C)=C1C2=O, Molecular C13H20N4O2, Formula: C13H20N4O2.
Pos. ion electron impact (PIEI), pos. ion chem. ionization (PICI) and neg. ion chem. ionization (NICI) mass spectra are presented for ten xanthine derivatives; and each fragmentation pathway has been analyzed. In the PIEI mode, mol. ions were generally intense and constituted base peaks in five compounds Peaks at m/z 42 (NCO) appeared in all compounds; fragment cations at m/z 55, 68 (or 67) and 82 were observed in many compounds In the PICI mode, all drugs showed intense [M+H]+ quasi-mol. peaks together with small peaks at m/z M+C2H5 and M+C3H5; fragment peaks at m/z 44, 58, 72 and/or 84 (or 86) were also observed In the NICI mode, [M-H]- quasi-mol. peaks appeared in nine compounds and constituted base peaks in five compounds; adduct anions at m/z M+32 and/or M+C3H7, and fragment anions at m/z 42, 165 and/or 179 were also observed in many compounds Detection limits for total ion monitoring of the drugs in the PIEI, PICI and NICI modes were 2.2-10 ng, 11-28 ng and 7.8-14 ng on column, resp. Xanthine derivatives present in human plasma or urine could be rapidly extracted by use of Sep-Pak C18 cartridges with chloroform/methanol as elution solvent; recovery of the drugs from the plasma and urine was > 75%. They were also detected by capillary gas chromatog. (GC) with both flame ionization detection (FID); their limits were 1.6-8.3 ng on column.
If you want to learn more about this compound(1-Hexyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione)Formula: C13H20N4O2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(1028-33-7).
Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem