Table 3.
Compounds identified by UPLC–ESI–TOFMS/MS in positive mode in the FR-2 of A. cearensis seeds
| Peak no | Retention time (min) | [M-H]− observed | [M-H]− calculated | Product ions (MS/MS) | Empirical formula | Parts per million (error) | Putative name | References |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.17 | 689.2051 | 689.2082 | 689.2087, 367.1008, 352.8637 | C33H37O16 | 4.5 | Icariin glucuronide | Shunjun et al. (2017) |
| 2 | 4.03 | 591.3693 | 591.3686 | 401.1527, 172.8673, 133.0836 | C37H51O6 | 1.2 | No identified | – |
| 3 | 5.37 | 147.0419 | 147.0446 | 147.0422, 62.2985 | C9H7O2 | − 18.4 | Trans-cinnamic acid | Ibrahim et al. (2014) |
| 4 | 5.40 | 147.0412 | 147.0446 | 147.0422, 62.2985 | C9H7O2 | − 23.1 | Possible isomer trans-cinnamic acid | Ibrahim et al. (2014) |
| 5 | 5.49 | 147.0408 | 147.0446 | 147.0422, 62.2985 | C9H7O2 | − 23.1 | Possible isomer trans-cinnamic acid | Ibrahim et al. (2014) |
| 6 | 6.12 | 246.2432 | 246.2433 | 247.4212, 184.0706, 156.0435 | C14H32NO2 | − 0.4 | No identified | Ibrahim et al. (2014) |
| 7 | 6.51 | 285.2693 | 285.2700 | 269.7, 163.8, 150.5 | C15H10O6 | − 2.5 | Hydroxygenistein | Schmeda-Hirschmann et al. (2019) |
| 8 | 6.63 | 299.0910 | 299.0919 | 283.7, 230.7 | C17H15O5 | − 3.0 | Methoxy trihydroxy flavanone | Schmeda-Hirschmann et al. (2019) |
| 9 | 7.26 | 274.2721 | 274.2719 | 275.2858, 256.2728, 184.0647 | C12H32N7 | 0.7 | No identified | – |
| 10 | 7.28 | 274.2730 | 274.2719 | 275.2858, 256.2728, 184.0647 | C12H32N7 | 4.0 | No identified | – |
| 11 | 7.66 | 313.1066 | 313.1076 | 269.0793, 252.0761, 184.0693 | C18H17O5 | − 3.2 | 7,3′-Dihydroxy-8,4′-dimethoxyisoflavone | Oliveira et al. (2017) |
| 12 | 7.99 | 283.0953 | 283.0970 | 240.0811, 211.0820, 197.0556 | C17H15O4 | − 6.0 | Dihydroxymethoxyisoflavone | Oliveira et al. (2017) |
| 13 | 8.02 | 283.0921 | 283.0970 | 240.0811, 211.0820, 197.0556 | C17H15O4 | − 17.3 | Dihydroxymethoxyisoflavone possible isomer | Oliveira et al. (2017) |
| 14 | 8.29 | 119.0850 | 119.0861 | 113.0861, 117.1045 | C9H11 | − 9.2 | No identified | – |
| 15 | 8.52 | 302.3076 | 302.3059 | 184.0782, 177.1111, 113.0846 | C18H40NO2 | 5.6 | No identified | – |
| 16 | 8.67 | 391.3500 | 391.3509 | 184.0709, 177.1171 | C17H43N8O2 | − 2.3 | No identified | – |
| 17 | 9.23 | 323.2783 | 323.2797 | 373.1831, 339.2472,133.0887 | C17H39O5 | − 4.3 | No identified | – |
| 18 | 9.32 | 393.3557 | 393.3580 | 393.3560, 334.3107, 177.1114 | C22H49O5 | − 5.8 | No identified | – |
| 19 | 9.35 | 393.3589 | 393.3580 | 393.3560, 334.3107, 177.1114 | C22H49O5 | 2.3 | No identified | – |
| 20 | 9.75 | 330.3365 | 330.3372 | 258.0484, 312.3296, 331.3336 | C20H44NO2 | − 2.1 | No identified | – |
| 21 | 9.90 | 457.2744 | 457.2743 | 155.0720, 458.2881 | C31H37O3 | 0.2 | No identified | – |
| 22 | 9.95 | 457.2778 | 457.2743 | 155.0720, 458.2881 | C31H37O3 | 7.7 | No identified | – |
| 23 | 10.11 | 395.3740 | 395.3750 | 335.3429, 184.0704, 133.0864 | C23H47N4O | − 2.5 | No identified | – |