Table 1.
List of biomarkers to discriminate MCLW, MCLE, and MCLH.
| Peak No. |
Retention Time (min) |
Identification (MCLW) | Exact Mass (m/z) |
Fragment Ions (m/z) |
|---|---|---|---|---|
| 1 | 0.68 | Hydroferulic acid | 195.08 | 165, 133 |
| 2 | 0.91 | N-(1-Deoxy-1-fructosyl)leucine | 292.14 | 274 |
| 3 | 1.06 | Chlorogenic acid fragments | 353.08 | 323, 191, 129 |
| 4 | 1.37 | Abscisic acid fragments | 263.13 | 188, 144 |
| 5 | 1.43 | Hyperforin fragments | 535.37 | 257, 243 |
| 6 | 1.70 | Rosmaricine | 344.09 | 150 |
| 7 | 1.85 | Biotin fragments | 243.08 | 200, 156 |
| 8 | 2.18 | N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide | 282.12 | 150, 133 |
| 9 | 2.73 | Kaempferol 7-arabinoside | 417.16 | 357, 215, 135 |
| 10 | 2.91 | alpha,alpha-Trehalose | 341.14 | 135, 119 |
| 11 | 3.19 | Kaempferol 3-glucuronide | 461.14 | 399, 285 |
| 12 | 3.36 | Orientin 7,3′-dimethyl ether | 475.16 | 445, 299 |
| 13 | 3.53 | Momordicinin | 437.26 | 421, 409, 205 |
| 14 | 3.67 | 5-(6-Hydroxy-3,7-dimethyl-2,7-octadienyloxy)-7-methoxycoumarin | 343.26 | 327, 301 |
| 15 | 3.76 | Phytolaccasaponin G | 663.47 | 645, 601, 501 |
| 16 | 4.06 | Phytolaccasaponin G | 663.47 | 645, 631, 485 |
| 17 | 4.21 | (±)-3′,4′-Methylenedioxy-5,7-dimethylepicatechin | 329.28 | 229 |
| 18 | 4.34 | Myrianthic acid | 503.41 | 487, 485 |
| 19 | 4.73 | Momordicine III | 647.47 | 485, 99 |
| 20 | 4.93 | Goyaglycoside b | 647.47 | 485 |
| 21 | 4.96 | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol | 485.40 | 469, 455 |
| 22 | 5.20 | Momordicin I | 471.42 | 99 |
| 23 | 5.48 | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol | 485.40 | 455, 325 |
| 24 | 5.54 | Madasiatic acid | 487.42 | 471 |
| 25 | 5.69 | Vernolic acid | 295.27 | 277, 195, 99 |
|
Peak
No. |
Retention Time
(min) |
Identification (MCLE) |
Exact Mass
(m/z) |
Fragment Ions
(m/z) |
| 1 | 0.83 | Isorhamnetin 7-rhamnoside | 461.13 | 357, 285, 283 |
| 2 | 0.98 | Diosmetin 7-glucuroside | 475.15 | 445, 299, 269 |
| 3 | 1.48 | 6-Hydroxyluteolin 7,3′,4′-trimethyl ether | 343.25 | 327, 283, 243 |
| 4 | 1.58 | Apigenin 6-C-arabinosyl-8-C-glucoside | 695.49 | 663, 519 |
| 5 | 1.69 | Luteolin | 285.08 | 269, 135 |
| 6 | 1.87 | ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) | 663.46 | 645 |
| 7 | 2.13 | 3,3′,5-Trihydroxy-4′-methoxy-6,7-methylenedioxyflavone 3-glucuronide | 519.40 | 501, 343, 327 |
| 8 | 2.33 | Apigenin | 269.07 | 227, 151, 117 |
| 9 | 2.41 | 5-Hydroxy-7,3′,4′-trimethoxy-8-methylisoflavone 5-neohesperidoside | 649.48 | 631, 487 |
| 10 | 2.46 | Diosmetin | 299.06 | 284, 256 |
| 11 | 2.81 | 5,7-Dihydroxy-8,4′-dimethoxyisoflavone | 329.27 | 229, 139 |
| 12 | 3.04 | Phytolaccoside E | 825.57 | 617, 487 |
| 13 | 3.36 | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol | 485.39 | 455 |
| 14 | 3.80 | Goyaglycoside b | 647.46 | 631, 485, 455 |
| 15 | 3.89 | Momordicoside F1 | 631.47 | 469 |
| 16 | 4.05 | Goyaglycoside c | 661.45 | 645, 631, 499 |
| 17 | 4.14 | Momordicin II | 633.45 | 615, 471, 455 |
| 18 | 4.34 | Momordicine III | 647.46 | 617, 485 |
| 19 | 4.45 | Momordicoside K | 647.46 | 617 |
| 20 | 4.61 | Dihydroxystearic acid | 315.29 | 297 |
| 21 | 4.76 | Momordicoside F2 | 617.45 | 527, 455 |
| 22 | 4.90 | Momoridin B | 631.47 | 469, 455 |
| 23 | 5.33 | Nonadecanoic acid | 297.28 | 279 |
| 24 | 6.21 | 1,17-Heptadecanediol | 271.26 | 225 |
| 25 | 6.82 | Retinoic acid | 299.30 | 253, 99 |
|
Peak
No. |
Retention Time
(min) |
Identification (MCLH) |
Exact Mass
(m/z) |
Fragment Ions
(m/z) |
| 1 | 1.17 | Biotin | 243.15 | 225, 199 |
| 2 | 1.48 | Biotin | 243.15 | 225, 197 |
| 3 | 1.97 | Cetyl alcohol | 241.13 | 197, 127, 125, 99 |
| 4 | 2.81 | 5,7-Dihydroxy-8,4′-dimethoxyisoflavone | 329.27 | 229 |
| 5 | 3.36 | 3,3′,4′,5,6,8-Hexamethoxyflavone | 401.23 | 375, 329, 313, 209 |
| 6 | 3.96 | 5,7-Dihydroxy-3′,4′-dimethoxy-5′-prenylflavanone | 383.22 | 353, 311 |
| 7 | 4.04 | 2′,3,4′,5-Tetrahydroxy-4-prenylstilbene | 311.26 | 293, 265 |
| 8 | 4.18 | Cycloheterophyllin | 501.38 | 461, 311 |
| 9 | 4.46 | Medicarpin 3-O-(6′-malonylglucoside) | 517.38 | 499, 487, 471, 311 |
| 10 | 4.66 | Limocitrin 3-rhamnoside | 491.40 | 475, 371, 313 |
| 11 | 4.98 | Phytal | 293.24 | 277, 263 |
| 12 | 5.36 | Vernolic acid | 295.26 | 279 |
| 13 | 5.86 | Madasiatic acid | 487.40 | 471, 425 |
| 14 | 5.99 | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol | 485.38 | 455, 427, 423 |
| 15 | 6.23 | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,26-diol | 485.38 | 455 |
| 16 | 6.54 | Myrianthic acid | 503.40 | 487 |