| Compound name | Ion formula | m/z | Fragment ion | Ref. |
|---|---|---|---|---|
| Alkaloids | ||||
|
a Confirmed by standard substance. b The mass fragments used to infer the chemical identities of the various compounds are based on published literature provided for each of the alkaloids in the supplementary information. c Hypothesis. |
||||
| DL-Stachydrine a | [C H NO +K]+ 7 13 2 | 182.06 | 100.11 | |
| [C H N O –CO +H]+ 14 26 2 4 2 | 243.21 | 100.11, 144.10 | ||
| [C H N O +K]+ 14 26 2 4 | 325.15 | 182.06, 144.10, 100.11 | ||
| 3-Methylcarbazole b | [C H N H]+ 13 11 + | 182.10 | 95.05, 167.07, 116.97, 105.05 | (Cui et al., 2002) |
| Murrayanine b | [C H NO H]+ 14 11 2+ | 226.09 | 198.09,183.07,167.07,155.07 | (Sripisut et al., 2012) |
| Heptaphylline b | [C H NO H]+ 17 17 + | 252.14 | 234.13, 133.09, 91.05 | (Songsiang et al., 2011) |
| 5-methyl-2-vinyl-3,11-dihydropyrano carbazole c | [C H NO H]+ 18 15 + | 262.12 | 205.10, 234.13, 91.05 | |
| Girinimbine a | [C H NO + H]+ 18 17 | 264.14 | 131.05, 103.05, 205.10, | |
| Murrastinine b | [C H NO +H]+ 18 17 2 | 280.13 | 174.09, 205.10, 262.12 | (Liu et al., 2019) |
| Unknown | [C H NO +K]+ 30 37 11 | 626.20 | 103.05, 131.05, 264.14, 500.16, 524.16 | |
| Unknown | [C H NO K]+ 28 40 15+ | 668.19 | 103.05, 131.05, 264.14, 282.15 | |
| Coumarin | ||||
| 8-Hydroxylpsoralen | [C H O H]+ 11 6 4+ | 203.03 | 147.04,175.04, 131.05 | (Huang et al., 2017) |
| Wampetin b | [C H O H]+ 21 18 6+ | 367.12 | 203.03, 147.04, 131.05, 165.09 | (Liu et al., 2014) |
| 2′,3′-Epoxyindicolactone b | [C H O +H]+ 21 18 7 | 383.11 | 203.03, 163.08, 181.09 | (Lakshmi et al., 1984) |
| Anisolactone b | [C H O +K]+ 21 18 6 | 405.07 | – | (Liu et al., 2014) |
| Dihydroindicolactone b | [C H O K]+ 21 20 6+ | 407.09 | 203.03, 147.04, 167.11, 369.13 | (Liu et al., 2014) |
| Wampetin dimer c | [C H O K]+ 42 36 12 + | 771.18 | 405.07 | |
| Other metabolites | ||||
| Sucrose | [C H O K]+ 12 22 11+ | 381.08 | 219.03, 201.02 | |
| Hexose | [C H O +K]+ 6 12 6 | 219.03 | – | |
| Citric acid | [C H O +K]+ 6 8 7 | 231.00 | – | |
| 4-Methylmethamphetamine | [C H N + H]+ 11 17 | 164.14 | – | |