. 2020 Jan 1;10(4):1678–1693. doi: 10.7150/thno.40482

Table 1.

Analytical data of Ibu-PSMA, Ibu-Dα-PSMA, Ibu-N-PSMA and Ibu-DAB-PSMA.

Compound	Chemical formula	MW^a [g/mol]	m/z^b	t_r^c [min]	Chemical purity^d [%]
Ibu-PSMA	C₆₈H₉₉N₁₁O₁₈	1358.60	1358.72	9.9	>99
Ibu-Dα-PSMA	C₇₂H₁₀₄N₁₂O₂₁	1473.69	1473.75	9.7	>99
Ibu-N-PSMA	C₇₂H₁₀₅N₁₃O₂₀	1472.70	1472.77	9.7	>99
Ibu-DAB-PSMA	C₇₂H₁₀₇N₁₃O₁₉	1458.72	1458.79	8.6	>99

^a MW: molecular weight; ^b m/z-peak of the unlabeled ligand obtained by mass spectrometry detected as [M + H]⁺; ^c Retention time of the PSMA ligand (unlabeled) on analytical HPLC. Analytical column (150 × 4.6 mm) utilized RP SunFire C18 stationary phase with mobile phases consisting of 0.1% TFA in Milli-Q water (A) and ACN (B). For analytical runs, a linear gradient of solvent A (95-5%) in solvent B at a flow rate of 1 mL/min was used over 15 min. ^d Determined by analytical HPLC, λ = 254 nm.