TABLE 2

Accurate mass measurement of the parent and product ions of INF-derived GSH adduct (m/z 865) using a mass tolerance of 5 ppm

Proposed Elemental CompositionTheoretical m/zExperimental m/zMass Accuracy
ΔDaΔppm
C36H46N10O9SCl2865.2620865.2599−0.0021−2.4
C36H44N10O8SCl2847.2514847.2487−0.0027−3.2
C31H39N9O6SCl2736.2194736.2176−0.0018−2.4
C27H39N9O6S618.2817618.2804−0.0013−2.1
C27H37N9O5S600.2711600.2689−0.0022−3.7
C22H32N8O3S489.2391489.2378−0.0013−2.6
C17H24N6S345.1856345.1848−0.0008−2.3