|
| Peak no. | Tentative identification | Elemental composition [M-H]− | Retention time (min) | Theoretical mass (m/z) | Measured mass (m/z) | Error (ppm) | Other ions (m/z) | Classification of the compound |
|
| 1 | Aloesin or aloeresin B | C19H21O9− | 9.23 | 393.11911 | 393.11917 | −0.15263 | 203.07106 (C12H11O3−)
245.08168 (C14H13O4−) | Chromone (C-glycosylated chromone) |
| 2 | Chlorogenic acid | C16H17O9− | 9.54 | 353.08781 | 353.08752 | 0.82133 | 191.05534 (C7H11O6−) | Cinnamic acid |
| 3 | Caffeic acid | C9H7O4− | 9.92 | 179.03498 | 179.03464 | 1.89907 | 135.04451 (C8H7O2−) | Cinnamic acid |
| 4 | Aloe emodin-diglucoside | C27H29O15− | 9.98 | 593.15119 | 593.15063 | 0.94411 | — | Anthracene compound (anthrone) |
| 5 | Isoquercitrin | C21H19O12− | 9.98 | 463.08820 | 463.08752 | 1.46840 | 301.55185 (M-glucose) | Flavonoid (O-glycosylated flavonoid) |
| 6 | Kaempferol-3-O-hexosyl-O-pentoside | C26H27O15− | 10.29 | 579.13554 | 579.13513 | 0.70795 | — | Flavonoid (O-glycosylated flavonoid) |
| 7 | 6-Methyl-1,3,8-trihydroxyanthraquinone (emodin) | C15H9O5− | 10.40 | 269.04555 | 269.04538 | 0.63186 | 225.05438 (C14H9O3−)
241.73468 | Anthracene compound (anthrone) |
| 8 | Luteolin-8-C-glucoside (orientin) | C21H19O11− | 10.41 | 447.09329 | 447.09293 | 0.80520 | 327.05048 (C17H11O7−)
299.05582 (C16H11O6−) | Flavonoid (C-glycosylated flavonoid) |
| 9 | Feruloylquinic acid | C17H19O9− | 10.46 | 367.10346 | 367.10309 | 1.00789 | 191.05547 (C7H11O6−) | Cinnamic acid |
| 10 | 10-Hydroxyaloin A | C21H21O10− | 10.90 | 433.11402 | 433.11392 | 0.23089 | 270.05280 (C15H10O5−) | Anthracene compound (anthrone) |
| 11 | Isovitexin | C21H19O10− | 10.80 | 431.09837 | 431.09833 | 0.09279 | 311.05588 (C17H11O6−)
283.06058 (C16H11O5−) | Flavonoid (C-glycosylated flavonoid) |
| 12 | Chrysoeriol-7-O-glucuronide | C22H19O12− | 11.11 | 475.08820 | 475.08856 | −0.75775 | — | Flavonoid (O-glycosylated flavonoid) |
| 13 | Caffeoyl ester of aloesin | C29H29O12− | 11.74 | 569.16645 | 569.16626 | 0.33382 | — | Chromone |
| 14 | Aloin A | C21H21O9− | 12.18 | 417.11911 | 417.11908 | 0.07192 | 297.07687 (C17H13O5−)
268.07318 (C16H12O4−) | Anthracene compound (anthrone) |
| 15 | Isoaloeresin D | C29H31O11− | 11.85 | 555.18719 | 555.18677 | 0.75650 | — | Chromone |
| 16 | 2′-p-Methoxycoumaroylaloeresin B | C29H29O11− | 12.29 | 553.17154 | 553.17041 | 2.04277 | — | Anthracene compound (anthrone) |
| 17 | 4,5-Dimethyl ether of Aloe emodin | C17H13O5− | 12.29 | 297.07685 | 297.07669 | 0.53858 | — | Anthracene compound (anthrone) |
| 18 | Aloin B | C21H21O9− | 12.36 | 417.11911 | 417.11893 | 0.43153 | 297.07669 (C17H13O5−)
268.07419 (C16H12O4−) | Anthracene compound (anthrone) |
| 19 | 6′-Malonylnataloin | C24H23O12− | 12.69 | 503.11950 | 503.11911 | 0.77516 | 459.12842 (C23H23O10−) | Anthracene compound (C-glycosylated anthrone) |
| 20 | Naringenin-4′-methoxy-7-O-glucuronide | C22H21O10− | 14.39 | 445.11402 | 445.11401 | 0.02247 | — | Flavonoid |
| 21 | 7-Methylether of 2′-feruloylaloesin | C30H31O12− | 13.40 | 583.18210 | 583.18146 | 1.09743 | — | Chromone |
| 22 | Aloe emodin-8-O-glucoside | C21H19O10− | 14.52 | 431.09837 | 431.09793 | 1.02065 | 269.04495 (C15H9O5−) | Anthracene compound (anthrone) |
| 23 | 5,3′-Dihydroxy-6,7,4′-trimethoxyflavone (eupatorin) | C18H15O7− | 14.81 | 343.08233 | 343.08231 | 0.05830 | — | Flavonoid |
| 24 | Trihydroxy octadecenoic acid | C18H33O5− | 18.28 | 329.23335 | 329.23328 | 0.21262 | — | Oxilipin |
| 25 | 3,4-Di-O-caffeoylquinic acid | C25H23O12− | 19.04 | 515.11950 | 515.11847 | 1.99954 | — | Cinnamic acid |
|
