Table 2.
Compound ID | Acquired [M+H]+ | RT (min) | Formular | Annotated metabolite(s) |
---|---|---|---|---|
F_193 | 193.0862 | 20.41 | C11H12O3 | Unknown |
J_207 | 207.1017 | 24.02 | C12H14O3 | Unknown |
N_2331 | 233.1174 | 32.09 | C14H16O3 | Sorbicillin |
G_249 | 249.1123 | 20.89 | C14H16O4 | Sorbicillinol2 |
H_249 | 249.1123 | 22.19 | C14H16O4 | Sorbicillinol2 |
F_251 | 251.1279 | 19.74 | C14H18O4 | Dihydrosorbicillinol |
J_251 | 251.1279 | 24.07 | C14H18O4 | Dihydrosorbicillinol |
F_265 | 265.1071 | 19.91 | C14H16O5 | Oxosorbicillinol/Epoxysorbicillinol |
L_265 | 265.1071 | 26.65 | C14H16O5 | Oxosorbicillinol/Epoxysorbicillinol |
B_267 | 267.1228 | 15.37 | C14H18O5 | 5-hydroxyvertinolide |
D_293 | 293.1495 | 16.73 | C15H20O4N2 | Unknown |
K_307 | 307.1543 | 25.91 | C17H22O5 | Unknown |
C_309 | 309.1441 | 15.61 | C15H20O5N2 | Unknown |
E_333 | 333.1444 | 18.93 | C16H14N9 | Unknown |
M_479 | 479.2064 | 29.54 | C27H24O2N7 | Unknown |
M_497 | 497.2166 | 29.63 | C28H32O8 | Bisorbicillinol |
R_513 | 513.2117 | 34.15 | C28H32O9 | Bisvertinolon |
P_515 | 515.2274 | 33.16 | C28H34O9 | Dihydrobisvertinolone |
B_517 | 517.243 | 15.37 | C28H36O9 | Tetrahydrobisvertinolone |
A_556 | 556.1957 | 14.39 | C16H29O13N9 | Unknown |
S_657 | 657.2694 | 36.75 | C22H40O15N8 | Unknown |
1Compounds highlighted in bold were considered for subsequent data interpretations. 2We consider these two compounds to be identical and refer to them as “sorbicillinols”.