Table 4.
Identification of prototype components from NLXT in rats by UPLC-Q-TOF-MS.E.
| No | tR (min) |
Identification | Experimental mass (m/z) |
Error (ppm) |
Adducts | Formula | MSE fragment ions (m/z) | Source |
|---|---|---|---|---|---|---|---|---|
| 1 | 5.52 | 3-Hydroxybenzoic acid/ 4-Hydroxybenzoic acid |
137.0236 | −6.1 | [M − H]- | C7H6O3 | / | B |
| 2 | 6.33 | Parishin B/Parishin C | 727.2093 | 0.3 | [M − H]- | C32H40O19 | / | C |
| 3 | 7.86 | HSYAa/iso | 611.1608 | 0.3 | [M − H]- | C27H32O16 | 504.1103[M-H- C7H5O]- | D |
| 4 | 9.47 | 3-Hydroxybenzoic acid/ 4-Hydroxybenzoic acid |
137.0236 | −5.7 | [M − H]- | C7H6O3 | 93.0341 [M-H-COO]- | D |
| 5 | 10.12 | Phenylacetaldehyde | 119.0493 | −7.8 | [M − H]- | C8H8O | / | |
| 6 | 10.12 | β-coumaric acid | 163.0391 | −5.7 | [M − H]- | C9H8O3 | 119.0493[M-H-COO]- | |
| 7 | 11.35 | Ferulic acid | 193.0494 | −6.6 | [M − H]- | C10H10O4 | 134.0368[M-H–COO–CH3]- | D |
| 8 | 12.32 | 5,7-Dihydrox-4′-methoxyisoflavone | 329.0680 | 3.9 | [M + HCOO]- | C16H12O5 | / | A |
| 9 | 14.27 | Ferulic acid iso | 193.0495 | −6.0 | [M − H]- | C10H10O4 | 178.0261 M-H- CH3]- 149.0598[M-H-COO]- 134.0368[M-H–COO–CH3]- |
D |
| 10 | 21.36 | Ginsenoside Rg1a | 845.4943 | 4.6 | [M + HCOO]- | C42H72O14 | 799.4857[M − H]- 637.4313[M-H-Glc]- |
B |
| 11 | 21.71 | Ginsenoside Re/ Notoginsenoside Re |
991.5538 | 5.5 | [M + HCOO]- | C48H82O18 | 945.5453[M − H]- | B |
| 12 | 21.88 | Dihydroactinidiolide | 225.1117 | −6.8 | [M + HCOO]- | C11H16O2 | / | |
| 13 | 23.36 | (6aR,11aR)-3-hydroxy-9,10-dimethoxypterocar- pan-3-O-β-D-Glglucoside | 507.1492 | −3.1 | [M + HCOO]- | C23H26O10 | 417.1175[M + HCOO–3CH3]- 273.0388 164.0463 |
|
| 14 | 24.41 | Calycosina | 283.0593 | −6.4 | [M − H] | C16H12O5 | 268.0356[M-H-CH3]- | A |
| 15 | 29.66 | 4,7-dihydroxy-3-butylphthalide | 221.0803 | −7.6 | [M − H]- | C12H14O4 | 177.0894[M-H-COO]- | B |
| 16 | 32.05 | Kinobeon A | 355.1208 | 5.7 | [M − H]- | C20H20O6 | 205.0851[M-H- C8H6O3]- | D |
| 17 | 32.57 | Senkyunolide F | 205.0859 | −5.6 | [M − H]- | C12H14O3 | 161.0959[M-H-COO]- | B |
| 18 | 34.54 | Ginsenoside Rb1 | 1107.6018 | 5.6 | [M + HCOO]- | C54H92O23 | 945.5424[M-H-Glc]- 783.4897[M-H-2Glc]- 621.4331[M-H-3Glc]- |
B |
| 19 | 34.56 | Astragaloside Ⅴ/ Astragaloside Ⅵ/ AstragalosideⅦ |
991.5530 | 4.7 | [M + HCOO]- | C47H78O19 | 945.5424[M − H]- 783.4877[M-H-Glc]- |
A |
| 20 | 35.22 | Formononetina | 267.0655 | −3.0 | [M − H]- | C16H12O4 | 252.0411[M-H-CH3]- 223.0378[M + HCOO–C6H2O]- 195.0428[M + HCOO–C7H2O2]- |
A |
| 21 | 36.46 | Ginsenoside Rb2/Ginsenoside Rb3/Ginsenoside Rc/ Vina-Ginsenoside R7/ Notoginsenoside L |
1123.5929 | 2.1 | [M + HCOO]- | C53H90O22 | 1077.5865[M − H]- 829.4590 |
B |
| 22 | 37.16 | Ginsenoside Rb2/ Ginsenoside Rb3/ Ginsenoside Rc/ Vina-Ginsenoside R7/ Notoginsenoside L |
1123.5944 | 3.4 | [M + HCOO]- | C53H90O22 | 1077.5865[M − H]- | B |
| 23 | 38.37 | Ginsenoside Rd/ Gypenoside XVII |
991.5556 | 7.3 | [M + HCOO]- | C48H82O18 | 945.5485[M − H]- | B |
| 24 | 39.75 | Cyclocephaloside II | 871.4709 | 1.4 | [M + HCOO]- | C43H70O15 | 530.3220 494.3231[M–HCOO–H-C15H23O8]- |
A |
Identifcations confrmed with standard compound;/: Not detected.