Table 3.
assigned formula [M − H]− | assigned structure | avg exp m/zb | mass diff. (ppm) | prephotolysis | postphotolysis |
---|---|---|---|---|---|
C18H31O6 | R,R′-PPA | 343.2113 | −2.5 | medium | medium |
C19H35O5 | R,R′-DHO acid | 343.2490 | 1.5 | below threshold | medium |
C18H33O6 | hexyloctyl-tartaric acid | 345.2280 | 0.75 | below threshold | strong |
C20H35O7 | R,R′-DHO diacid | 387.2380 | −0.80 | below threshold | medium |
C24H45O5 | R,R,R′-DHO acid | 413.2370 | 0.65 | below threshold | medium |
C26H49O5 | R,R′,R′-DHO acid | 441.3575 | −1.2 | below threshold | medium |
C25H45O7 | R,R,R′-DHO diacid | 457.3175 | 2.0 | below threshold | weak |
C27H49O7 | R,R′,R′-DHO diacid | 485.3480 | 0.27 | below threshold | weak |
Chemical formulas are assigned as the ionized [M − H]− species; structures are assigned as the neutral species. Here, R = (CH2)4CH3 from OOA and R′ = (CH2)6CH3 from ODA.
The experimental m/z is the average observed mass across experiments.