ID | Rt | Synonym | Molecular formula | Class | Molecular weight | Ion type | MS2 Fragments |
---|---|---|---|---|---|---|---|
1 | 1.14 | Phenol, dimethoxy-4-(2-propenyl) | 14O11H3C | Melanoidin | 194 | [M-H]− | 175 (M-H-H2O), 162 (M-H-OCH3), 131 (M-H-2 OCH3), 152 (M-H-C3H5) |
2 | 1.21 | Pyran-4-one, dihydro-dihydroxy-methyl | 7O6H4C | Melanoidin | 143 | [M-H]− | 124 (M-H2O), 127 (M-CH3), 114 (M-CO) |
3 | 1.36 | Furanmethanol | 6O5H2C | Melanoidin | 98 | [M-H]− | 79 (M-H-H2O), 69 (M-H-CO), 65 (M-H-CH3OH) |
4 | 1.37 | Phenethylamine, methyl-N-vanillyl | 21O2N17HC | Melanoidin | 271 | [M + H]+ | 254 (M + H-H2O), 241 (M + H-OCH3), 153 (M + H-C9H11) |
5 | 1.4 | Dihydroxyacetophenone | 8O8H3C | Melanoidin | 152 | [M-H]− | 137 (C7H5O3), 109 (C6H5O2) |
6 | 1.42 | Dihydro-methylpyrrolopyrimidinone | C8H10N2O | pyrimidine derivative | 150 | [M + H]+ | 136 (M + H-CH3), 123 (M + H-CO) |
7 | 1.45 | Dihydro-3-methylfuran | 8O5HC | Melanoidin | 84 | [M-H]− | 68 (M-H-CH3), 55 (M-H-CO), 54 (C4H6) |
8 | 1.47 | 2-(Methyl-butenyl)-5-(phenylethyl)-benzenediol | 22O19H2C | Resorcinol | 282 | [M-H]− | 212(M-H- C5H9), 109 (M-H- C13H16), 80 (C6H8), 68 (C5H8) |
9 | 1.49 | Pentyl-2-prenyl-benzenediol-3-Me ether | 26O 17H2C | Resorcinol | 262 | [M-H]− | 192 (M-H-C5H9), 123 (M-H-C10H20), 80 (C6H8), 68 (C5H8) |
10 | 1.52 | Dihydroxybenzoic acid- Xylopyranosyl ester | 14O12H8C | Phenolic acid ester | 286 | [M-H]− | 267(M-H-H2O), 153 (M-H-xylopyranose), 109 (M-H-xylopyranose-CO2) |
11 | 1.546 | Hydroxy-Bis(3-methyl-2-butenyl)-5-(2-phenylethenyl)-benzenediol | C24H28O3 | Stilbene | 364 | [M + H]+ | 227 (M + H-2 isoprenyl unit), 296 (M + H-isoprenyl unit) |
12 | 1.56 | 1-(4-Hydroxyphenyl)-3-(7-methoxybenzofuran-6-yl) propanone | 16O18H4C | Aliphatic ketone | 296 | [M-H]− | 202 (C12H10O3), 174 (C11H10O2), 120 (C7H4O2) |
13 | 1.57 | 3-Methyl-3-hepten-2-one | 14O8HC | Aliphatic ketone | 126 | [M + H]+ | 112 (C7H12O), 84 (C6H12) |
14 | 1.69 | 3-(4-Hydroxyphenyl)-phenyl-propenone | C15H12O2 | Chalcone | 224 | [M-H]− | 146 (X2), 118 (Y2), 104 (Y1), 76 (X1) (Figure S2) |
15 | 2.03 | Thujanol | C10H18O | Monoterpene alcohol | 154 | [M + H]+ | 137 (M + H-H2O), 140 (M + H-CH3) |
16 | 2.05 | Trihydroxy-4-methoxybibenzyl | C15H16O4 | Stilbene | 260 | [M-H]− | 241 (M-H-H2O), 228 (M-H-OCH3) |
17 | 7.74 | Dihydroxyflavanone-Di-O-hexoside | C27H32O14 | Flavanone glycosides | 580 | [M + H]+ | 419 (M + H-hexose), 257 (M + H-2 hexose), 239 (M + H-2 hexose -H2O), 229 (M + H-2 hexose -CO), 213 (M + H -2 hexose -CO2), 137 (1,3 A+), 163 (M + H -2 hexose-ring B) |
18 | 8.1 | Amorfrutin 1/Aa | C21H24O4 | Stilbene | 340 | [M-H]− | 225 (C15H13O2), 295 (M-H-CO2), 270 (M-H-isoprenyl unit) |
19 | 9.1 | Dihydroxyflavanone-O-hydroxypropanoyl hexoside | C24H26O11 | Flavanone glycosides | 490 | [M-H]− | 257(M-H-Hydroxypropanoyl hexose), 135 (1,3 A−), 161((M-H-Hydroxypropanoyl hexose-ring B) |
20 | 9.86 | 3-(3,4-Dihydroxyphenyl)-2-propenoic acid- docosyl ester | 52O31H4C | Phenolic acid ester | 488 | [M + H]+ | 471 (M + H-H2O), 180 (M + H-docosanol), 136 (M + H-docosanol-CO2), 118 (M + H-docosanol-CO2 -H2O) |
21 | 9.93 | Tetrahydroxyflavan-O-pentoside | C20H22O9 | Flavane glycosides | 406 | [M-H]− | 273 (M-H-pentose), 295 (M-H-pentose-ring B) |
22 | 10 | Dihydroxy dimethoxy-O-hexoside | C23H24O11 | Isoflavone glycosides | 476 | [M + H]+ | 315 (M + H-hexose), 297 (M + H -hexose -H2O), 287 (M + H -hexose -CO), 271 (M + H-hexose-CO2), 285 (M + H-hexose − 2CH3), 167 (1,3 A+), 149 (1,3B+) |
23 | 10.27 | Trihydroxychalcone-O -Rhamnopyranosyl glucopyranoside] | C27H32O13 | Chalcone glycoside | 564 | [M + H]+ | 419 (M + H-rhamnose), 257 (M + H-rhamnoglucose), 137 (ring A) |
24 | 10.28 | Dihydroxyflavanone-O-rutinosidea | C27H32O13 | Flavanone glycosides | 564 | [M-H]− | 257 (M-H- rhamnoglucose) ,135 (1,3 A−), 161 (M-H-ring B) |
25 | 10.59 | Dihydroxyflavone-O-pentosyl hexoside | C26H28O13 | Flavone glycosides | 548 | [M-H]− | 253 (M-H-pentohexose), 135 (1,3 A−), 120 (1,3B−), 235 (M-H- pentohexose -H2O), 209 (M-H- pentohexose- CO2) |
26 | 10.66 | Trihydroxyflavone-O-Rhamnopyranoside (afzelin) a | C21H20O10 | Flavone glycosides | 432 | [M + H]+ | 287 (M + H-rhamnose), 153 (1,3 A+), 122 (1,3B+), 269 (M + H-rhamnose- H2O), 243(M + H-rhamnose -CO2) |
27 | 10.9 | Dihydroxyflavanone-O-pentosyl hexoside | C26H30O13 | Flavanone glycosides | 550 | [M-H]− | 255(M-H- pentohexose), 135 (1,3 A−), 161(M-H- pentohexose -ring B) |
28 | 11.05 | Isoliquiritin apiosidea | C26H30O13 | Chalcone glycoside | 550 | [M-H]− | 255 (M-H- apioglucose), 135 (ring A), 119 (ring B) |
29 | 11.15 | Dihydroxy methoxy flavanone-O-hexoside | C22H24O9 | Flavanone glycosides | 432 | [M-H]− | 269 (M-H-hexose), 251 (M-H-hexose H2O), 241 (M-H-hexose-CO), 225 (M-H-hexose-CO2), 137 (1,3 A−) ,161 (M-H-hexose-ring B) |
30 | 11.21 | Vitexin-O-rhamnosidea | C21H20O10 | Flavone-C-glycosides | 578 | [M-H]− | 431 (M-H- rhamnose), 341 (Cross link cleavage in glucose unit), 311 (Cross link cleavage in glucose unit) |
31 | 11.46 | Dihydroxy flavanone-O-hexoside | C21H22O9 | Flavanone glycosides | 418 | [M + H]+ | 257 (M + H-hexose), 239 (M + H-hexose-H2O), 229 (M + H-hexose-CO), 213 (M + H-hexose- CO2),137 (1,3 A+), 163 (M + H-hexose -ring B) |
32 | 11.93 | Yunganoside G1 | C48H74O21 | Triterpene Saponin (oleanane type) | 987 | [M-H]− | 840 (M-H-rhamnose), 489 (M-H-di-glucouronic residue- rhamnose),470 ((M-H-di-glucouronic residue- rhamnose-H2O), 497 (rhamnose di-glucouronic residue -H), 458 (M-H- di-glucouronic residue- rhamnose-CH2O), 351 (di-glucouronic residue -H) |
33 | 12.12 | Trihydroxyflavanone-O-pentosyl hexoside | C26H30O14 | Flavanone glycosides | 566 | [M-H]− | 271 (M-H-pentohexose),155 (1,3 A−), 177 (M-H-pentohexose-ring B) |
34 | 12.43 | Trihydroxyflavanone-O-hexoside | C21H22O10 | Flavanone glycosides | 434 | [M + H]+ | 273 (M + H-hexose), 169 (1,3 A+), 195 (M + H-hexose-ring B) |
35 | 12.58 | Trihydroxychalcone-O-Apiofuranosyl glucopyranoside | C26H30O13 | Chalcone glycoside | 550 | [M + H]+ | 419 (M + H-apiose), 257 (M + H- apioglucose), 137 (ring A) |
36 | 12.6 | Uralsaponin Ea | C42H60O17 | Triterpene Saponin (oleanane type) | 836 | [M-H]− | 659 (M-H-glucouronic residue), 483 (M-H– di-glucouronic residue), 465 (M-H-di-glucouronic residue- H2O), 437 (M-H-di-glucouronic residue- H2O- CH2O), 447 (M-H-di-glucouronic residue − 2H2O), 176 (glucouronic residue) |
37 | 12.74 | Trihydroxyflavone-glucosidea | C21H18O11 | Flavone glycosides | 446 | [M-H]− | 269 (M-H-glucose), 105 (1,3B−), 167 (1,3 A−), 265 (M-H-glucose-H2O), 239 (M-H-glucose-CO2) |
38 | 12.83 | Dihydroxyisoflavone-dimethoxy-O-hydroxyphenyl)propanoyl-glucoside | C32H32O13 | Isoflavone glycosides | 624 | [M-H]− | 309 (M-H-hydroxy phenyl propanoyl glucose), 291 (M-H- hydroxy phenyl propanoyl glucose -H2O), 281 (M-H- hydroxy phenyl propanoyl glucose -CO), 265 (M-H- hydroxy phenyl propanoyl glucose -CO2), 165 (1,3 A−), 147 (1,3B−) |
39 | 13.01 | licorice glucoside D1a | C35H36O15 | Flavanone glycosides | 696 | [M-H]− | 255 (M-H-coumaroyl apioglucose),135 (1,3 A−), 119 (ring B) |
40 | 13.05 | Trihydroxychalcone-O-Hydroxycinnamoyl-apiofuranosyl-glucopyranoside | C35H36O15 | Chalcone glycoside | 696 | [M-H]− | 401 (M-H- apioglucose), 255 (M-H-hydroxycinnamoyl apioglucose), 135 (ring A) |
41 | 13.12 | Hydroxy methoxy isoflavone-O-hexoside | C22H22O9 | Isoflavone glycosides | 430 | [M-H]− | 269 (M-H-hexose), 251(M-H-hexose-H2O), 241 (M-H-hexose -CO), 225 (M-H-hexose -CO2), 137 (1,3 A−), 133 (1,3B−) |
42 | 13.2 | Licorice glycoside C1 4’,7-Dihydroxyflavanone; (S)-form, 4’-O-[4-Hydroxy-3-methoxycinnamoyl-(→5)-β-D-apiofuranosyl-(1→2)-β-D-glucopyranoside] | C36H38O16 | Flavanone glycosides | 726 | [M-H]− | 710 (M-H-CH3), 255 (M-H- Hydroxy methoxycinnamoyl apioglucose), 135 (1,3 A−), 119 (1,3B−) |
43 | 13.34 | Yunganosides L 1 or J1 | C48H72O20 | Triterpene Saponin (oleanane type) | 969 | [M-H]− | 950 (M-H- H2O), 833 (M-H- C4H6O5), 645 (M-H- C4H6O5-C8H12O5), 497 (rhamnose di-glucouronic residue–H), 453(M-H -di-glucouronic rhamnose -H2O), 176 (glucouronic residue), 162 (glucose residue) |
44 | 13.42 | Liquorice saponin F3 | C48H72O19 | Triterpene Saponin (oleanane type) | 953 | [M-H]− | 497 (rhamnose di-glucouronic residue -H), 436 (M-H-di-glucouronic-rhamnose-H2O), 418(M-H-di-glucouronic-rhamnose − 2 H2O), 454 (M-H-di-glucouronic-rhamnose), 176 (glucouronic residue) |
45 | 13.44 | Uralsaponin Fa | C44H64O19 | Triterpene Saponin (oleanane type) | 896 | [M-H]− | 719 (M-H-glucouronic residue), 543 (M-H-di-glucouronic residue), 525 (M-H-di-glucouronic residue-H2O), 507 (M-H-di-glucouronic residue- 2 H2O), 497 (rhamnose di-glucouronic residue -H), 495(M-H-di-glucouronic residue-H2O-CH2O) 465 (M-H- di-glucouronic residue- H2O-acetyl residue), 447(M-H- di-glucouronic residue − 2H2O-acetyl residue) |
46 | 13.52 | Liquorice saponin J2a | C42H64O16 | Triterpene Saponin (oleanane type) | 824 | [M-H]− | 453 (M-H-di-glucouronic residue -H2O), 471(M-H- di-glucouronic residue), 647(M-H-glucouronic residue) |
47 | 13.83 | Tetrahydroxychalcone-Me ether | C16H14O5 | Chalcone | 286 | [M-H]− | 270 (M-H-CH3), 151 (ring A), 133 (ring B) |
48 | 13.94 | Trihydroxychalcone-O-Hydroxy-methoxycinnamoyl-apiofuranosyl glucopyranoside | C36H38O16 | Chalcone glycoside | 726 | [M + H]+ | 433 (M + H- apioglucose), 257 (M + H-hydroxy methoxycinnamoyl apioglucose), 137 (ring A) |
49 | 14.03 | Yunganoside K1 | C48H72O21 | Triterpene Saponin (oleanane type) | 985 | [M-H]− | 497 (rhamnose di-glucouronic residue–H), 486 (M-H- di-glucouronic-rhamnose), 176 (glucouronic residue) |
50 | 14.3 | Polypodoside B | C39H62O13 | Triterpene Saponin (cholestane type) | 738 | [M + H]+ | 593 (M + H-rhamnose), 577(M + H-glucose), 431 (M + H-glucose-rhamnose) |
51 | 14.55 | Yunganoside G2a | C42H64O17 | Triterpene Saponin (oleanane type) | 840 | [M-H]− | 777 (M-H-H2O-CO2), 487 (M-H-di-glucouronic), 469 (M-H-di-glucouronic-H2O), 351(di-glucouronic residue-H), |
52 | 14.68 | Dihydroxy-dimethoxyflavone | C17H14O6 | Flavone | 314 | [M + H]+ | 297 (M + H-H2O), 271 (M + H-CO2), 153 (1,3 A+), 166 (1,3B+) |
53 | 15.03 | Uralsaponin M | C44H64O18 | Triterpene Saponin (oleanane type) | 880 | [M-H]− | 703 (M-H-glucouronic residue), 527(M-H-di-glucouronic residue) |
54 | 15.22 | (Licorice saponin G2) 24-Hydroxyglycyrrhizina | C42H62O17 | Triterpene Saponin (oleanane type) | 838 | [M + H]+ | 821(M + H-H2O), 777 (M + H-H2O-CO2), 663 (M + H- glucouronic residue), 351(di-glucouronic residue -H) |
55 | 15.24 | Yunganoside Pa | C42H60O17 | Triterpene Saponin (oleanane type) | 836 | [M-H]− | 483 (M-H- di-glucouronic residue), 465 (M-H- di-glucouronic residue -H2O), 434 (M-H- di-glucouronic residue -H2O-OCH3), 176 (glucouronic residue) |
56 | 15.43 | Dihydroxyflavanone-O-Indolylcarbonyl-pentosyl hexoside | C35H35NO14 | Flavanone glycoside | 693 | [M-H]− | 400 (M-H-pentohexose), 241(M-H- indolylcarbonyl pentohexose), 135 (1,3 A−), 161 (M-H- indolylcarbonyl pentohexose -ring B) |
57 | 15.54 | Yunganoside N1 | C42H64O14 | Triterpene Saponin (oleanane type) | 792 | [M + H]+ | 617(M + H-glucouronic residue), 441((M + H-di-glucouronic residue), 353 (di-glucouronic residue + H), |
58 | 15.8 | Licorice saponin B2 or Isomer of licorice saponin B2 | C42H64O15 | Triterpene Saponin (oleanane type) | 808 | [M-H]− | 789(M-H-H2O), 613(M-H-glucouronyl residue-H2O), 351(di-glucouronic residue -H) |
59 | 16.45 | Dihydroxy methoxy isoflavane | C16H16O4 | Isoflavane | 272 | [M-H]− | 258 (M-H-CH3), 123 (ring A), 149 (M-H-ring B) |
60 | 16.68 | Dihydroxy methoxy-prenylisoflavone | C21H20O5 | Isoflavone | 352 | [M-H]− | 333 (M-H-H2O), 323 (M-H-CO), 307 (M-H-CO2), 336 (M-H-CH3), 281(M-H- isoprenyl unit), 117 (1,3B−), 218 (1,3 A−) |
61 | 17.35 | Licoricesaponin K2 | C42H62O16 | Triterpene Saponin (oleanane type) | 822 | [M + H]+ | 647(M + H- glucouronic residue), 471 (M + H- di-glucouronic residue), 453(M + H- di-glucouronic residue - H2O) |
62 | 17.65 | Macedonoside D | C42H60O16 | Triterpene Saponin (oleanane type) | 820 | [M-H]− | 467(M-H-di-glucouronic residue), 449(M-H- di-glucouronic residue -H2O) |
63 | 18.14 | Flavestin Ba | 20O19H2C | Resorcinol | 280 | [M + H]+ | 212 (M + H-isoprenyl unit), 111 (M + H-isoprenyl unit- C8H5), 82 (C6H10), 70 (C5H10), 54 (C4H6) |
64 | 18.2 | Macedonoside B | C42H62O17 | Triterpene Saponin (oleanane type) | 838 | [M-H]− | 819 (M-H-H2O), 485 (M-H- diglucouronic residue), 351(diglucouronic residue -H) |
65 | 18.35 | Uralsaponin B | C42H62O16 | Triterpene Saponin (oleanane type) | 822 | [M + H]+ | 647 (M + H − glucouronic residue), 471(M-H- di-glucouronic residue), 351(di-glucouronic residue-H) |
66 | 18.87 | Isoliquiritigenina | C15H12O4 | Chalcone | 256 | [M-H]− | 135 (ring A), 119 (ring B), 93 (ring B fragment) |
67 | 19.1 | Glycyrrhizina | C42H62O16 | Triterpene Saponin (oleanane type) | 822 | [M-H]− | 803 (M -H-H2O), 759 (M-H-H2O-CO2), 645(M -H- glucouronic residue), 351 (di-glucuronic acid residue -H) |
68 | 19.5 | Trihydroxycoumestan-Me ether | C16H10O6 | Coumestan | 298 | [M + H]+ | 268 (M + H- OCH3), 281(M + H-H2O) |
69 | 19.59 | Dihydroxy dimethoxyisoflavone | C17H14O6 | Isoflavone | 314 | [M-H]− | 297 (M-H-H2O), 287 (M-H-CO), 271 (M-H-CO2), 285 (M-H-2 CH3), 167 ((1,3 A−), 149 (1,3B−) |
70 | 19.62 | Hydroxy methoxyisoflavone | C16H12O4 | Isoflavone | 268 | [M-H]− | 251 (M-H-H2O), 241 (M-H-CO), 225 (M-H-CO2), 137 (1,3 A−), 133 ((1,3B−) |
71 | 19.66 | Licodionea | C15H12O5 | Chalcone | 272 | [M-H]− | 162 (X2), 136 (Y1), 134 (Y2),108 (X1) (Figure S2) |
72 | 19.81 | Licoriphenone-O-De-Me | 22O20H6C | Aliphatic ketone | 358 | [M + H]+ | 290 (M + H-isoprenyl unit), 250 (C14H18O4), 222 (C13H18O3), 138 (C7H6O3) |
73 | 19.9 | Dihydroxy-oleanadienoic acid-diglycoside | C42H62O14 | Triterpene Saponin (oleanane type) | 790 | [M-H]− | 447 (M-H-2 hexose − 2 H2O), 465 (M-H-2 hexose) |
74 | 20.26 | Xambioona | C25H24O4 | Flavanone | 388 | [M-H]− | 369 (M-H-H2O), 359 ((M-H-CO), 343 (M-H-CO2), 201 (1,3 A−), 227 (M-H-ring B) |
75 | 20.44 | Trihydroxy-oleanadienoic acid-diglycoside | C42H64O15 | Triterpene Saponin (oleanane type) | 808 | [M-H]− | 483 (M-H-2 hexose), 465 (M-H-2 hexose -H2O), 447 (M-H-2 hexose − 2 H2O) |
76 | 20.76 | Glycyrrhizin isomer | C42H62O16 | Triterpene Saponin (oleanane type) | 822 | [M-H]− | 803(M-H-H2O), 759 (M-H-H2O-CO2), 645 (M- H-glucouronic residue), 351(di-glucouronic residue - H) |
77 | 20.94 | Tetrahydroxy-prenylchalcone | C20H20O5 | Chalcone | 340 | [M-H]− | 270 (M-H-isoprenyl unit), 203 (ring B), 135 (ring A) |
78 | 21.07 | Trihydroxy methoxy-prenylisoflavone | C21H20O6 | prenyl Isoflavone | 368 | [M-H]− | 351 (M-H-H2O), 341 (M-H-CO), 325 (M-H-CO2), 354 (M-H-CH3), 298 (M-H-isoprenyl unit), 149 (1,3B−), 222 (M-H- ring A) |
79 | 21.1 | Trihydroxy-prenylflavanone | C20H20O5 | Flavanone | 340 | [M + H]+ | 323 (M + H-H2O), 313 (M + H-CO), 297 (M + H-CO2), 272 (M + H-isoprenyl unit), 221 (1,3 A−), 247 (M + H-ring B) |
80 | 21.2 | Gancaonin Ya | C21H22O4 | Isoflavane | 338 | [M + H]+ | 324(M + H-CH3), 123 (1,3 A+) ,149 (M + H-ring B) |
81 | 21.3 | Glabrocoumarina | C20H16O5 | Coumarin | 336 | [M + H]+ | 163 (C9H7O3), 119 (C8H7O) |
82 | 21.6 | Gancaonin V | C19H20O4 | Prenylated dihydrophenanthrene | 312 | [M + H]+ | 244 (M + H-isoprenyl unit), 285 (M + H-CO) |
83 | 21.74 | Arabo/Apioglycyrrhizin | C41H62O14 | Triterpene Saponin (oleanane type) | 778 | [M-H]− | 715(M-H H2O-CO2), 645(M-H-arabinose) |
84 | 21.91 | Uralsaponin Ca | C42H64O16 | Triterpene Saponin (oleanane type) | 824 | [M-H]− | 647(M-H- glucouronic residue), 471[M-H-di- glucouronic residue], 453[M-H–di- glucouronic residue -H2O], 435(M-H–di-glucouronic residue − 2H2O), 417[M-H– di-glucouronic residue − 3H2O) |
85 | 21.96 | Tetrahydroxy-prenylflavanone | C20H18O6 | Flavanone | 354 | [M + H]+ | 337 (M + H-H2O), 327 (M + H-CO), 311 (M + H-CO2), 286 (M + H-isoprenyl unit), 221 (1,3 A+), 245(M + H-ring B) |
86 | 22.01 | Chiricanin B | C19H20O3 | Stilbene | 296 | [M + H]+ | 279 (M + H- H2O), 205 (C12H13O3), 89 (C7H5) |
87 | 22.54 | Liquorice saponin C2 | C42H62O15 | Triterpene Saponin (oleanane type) | 806 | [M-H]− | 787(M-H-H2O), 629 (M- H- glucouronic residue), 351(di-glucouronic residue -H) |
88 | 22.74 | Isoderrone | C20H16O5 | Pyranoisoflavone | 336 | [M + H]+ | 319 (M + H-H2O), 309 (M + H-CO), 293 (M + H-CO2), 322 (M + H-CH3), 153 (1,3 A+), 201 (1,3B+) |
89 | 22.8 | Licochalcone Ea | C21H22O4 | Chalcone | 338 | [M + H]+ | 324 (M + H-CH3), 270 (M + H-isoprenyl unit), 231 (X2-CH3), 203 (Y2-CH3), 122 (Y1), 94 (C6H6O X1) (Figure S2) |
90 | 22.9 | Tetrahydroxy-diprenylflavanone | C25H28O6 | Flavanone | 424 | [M-H]− | 405 (M-H-H2O), 395 (M-H-CO), 379 (M-H-CO2), 285 (M-H-2 isoprenyl unit), 151 (1,3 A−), 181(M-H-ring B) |
91 | 23.03 | Trihydroxy methoxy isoflavone | C16H12O6 | isoflavone | 300 | [M + H]+ | 283 (M + H-H2O), 273 (M + H-CO), 257 (M + H-CO2), 286 (M + H-CH3), 153 (1,3 A+), 149 (1,3B+) |
92 | 23.1 | Yunganoside I2 | C42H64O15 | Triterpene Saponin (oleanane type) | 808 | [M-H]− | 745 (M- H2O-CO2-H), 631(M-H- glucouronic residue), 613(M-H-glucouronic residue -H2O), 351(di-glucouronic residue -H) |
93 | 23.26 | Trihydroxy-prenylchalcone-Me ether | C21H22O4 | Chalcone | 338 | [M-H]− | 268 (M-H-isoprenyl unit), 229 (X2-CH3), 201 (Y-CH3), 120 (Y1), 92 (X1) (Figure S2) |
94 | 23.5 | Dihydroxy-prenylflavanone | C20H20O4 | flavanone | 324 | [M + H]+ | 307 (M + H-H2O), 297 (M + H-CO), 281 (M + H-CO2), 256 (M + H-isoprenyl unit), 220 (1,3 A+), 247 (M + H-ring B) |
95 | 24.13 | Phaseola | C20H16O5 | coumestan | 336 | [M-H]− | 250 (M-H- C4H8-CHO), 251(M-H- C4H8-CO), 279 (M- H-C4H8), 280(M-H-C4H7) |
96 | 24.51 | kanzonol Aa | C20H20O5 | Chalcone | 340 | [M-H]− | 270 (M-H-isoprenyl unit), 108 (X1), 230 (X2), 136 (Y1), 202 (Y2) (Figure S2) |
97 | 24.624 | Glycyrrhizol Ba | C21H18O5 | Pterocarpan | 350 | [M-H]− | 212 (C14H12O2), 188 (C12H12O2), 174 (C10H6O3) |
98 | 24.7 | Yunganoside L | C36H54O10 | Triterpene Saponin (oleanane type) | 646 | [M + H]+ | 471 (M + H-glucouronic residue), 176 (glucouronic residue) |
99 | 24.86 | Gancaonin Wa | C21H20O6 | isoflavone | 368 | [M-H]− | 298 (M-H-isoprenyl unit), 339(M-H-CO), 323(M-H-CO2) |
100 | 25.19 | Trihydroxy-prenylstilbene | C19H20O3 | Stilbene | 296 | [M-H]− | 189 (C12H13O2), 226 (M-H- isoprenyl unit) |
101 | 25.3 | Licoisoflavone Ba | C20H16O6 | Pyranoisoflavone | 352 | [M-H]− | 333 (M-H-H2O), 323 (M-H-CO), 307 (M-H-CO2), 336 (M-H-CH3), 151 (1,3 A−), 215 (1,3B−) |
102 | 25.44 | Kanzonol U | C19H16O4 | 2-arylbenzofuran flavonoids | 308 | [M-H]− | 289 (M-H-H2O), 263 (M-H-CO2) |
103 | 25.65 | Flavestin G | C19H20O2 | Stilbene | 280 | [M-H]− | 189 (C12H13O2), 210 (M-H-isoprenyl unit) |
104 | 25.86 | Licoagrodionea | C20H20O6 | Stilbene | 356 | [M-H]− | 150 (C8H6O3), 204 (C12H12O3) |
105 | 26.14 | Licoagroisoflavonea | C20H16O5 | isoflavone | 336 | [M-H]− | 317 (M-H-H2O), 307 (M-H-CO), 291 (M-H-CO2), 117 (1,3B−), 201(1,3 A−) |
106 | 26.23 | Trihydroxy-prenylpterocarpan-Me ether | C21H22O5 | Pterocarpan | 354 | [M-H]− | 284 (M-H-isoprenyl unit), 244 (C15H16O3), 146 (C9H6O2), 122 (C7H6O2) |
107 | 26.43 | Trihydroxy-prenylpterocarpan-Didehydro-Me ether | C21H20O5 | Pterocarpan | 352 | [M-H]− | 282 (M-H-isoprenyl unit), 242 (C15H14O3), 122 (C7H6O2) |
108 | 26.59 | Glycyrrhizaisoflavone C | C21H20O6 | isoflavone | 368 | [M-H]− | 349 (M-H-H2O), 339 (M-H-CO), 323 (M-H-CO2),135 (1,3 A−), 245 (1,3B−) |
109 | 26.88 | Glycyrrhizaflavonol A | C20H18O7 | Pyranoflavonol | 370 | [M-H]− | 341(M-H-CO), 354 (M-H-CH3), 325 (M-H-CO2), 351 (M-H-H2O), 151 (ring A) |
110 | 26.97 | Glabridina | C20H20O4 | Pyranoisoflavan | 324 | [M-H]− | 295 (M-H-CO), 279 (M-H-CO2), 187 (1,3 A−), 135 (1,3B−) |
111 | 27.26 | Glabronea | C20H16O5 | Pyranoisoflavone | 335 | [M-H]− | 319 (M-H-CH3), 290 (M-H-CO2), 136 (1,3 A−), 199 (1,3B−), 213 (1,4B−-H2O) |
112 | 27.32 | Hydroxy-prenylflavanone | C20H20O3 | flavanone | 308 | [M + H]+ | 291(M + H-H2O), 281(M + H-CO), 265 (M + H-CO2), 240 (M + H-isoprenyl unit), 204 (1,3 A+), 231(M + H-ring B) |
113 | 27.82 | Dihydroxy-diprenylflavanone | C25H28O4 | flavanone | 392 | [M + H]+ | 375 (M + H-H2O), 365 (M + H-CO), 349 (M + H-CO2), 255 (M + H-2 isoprenyl unit), 204 (1,3 A+), 231(M + H-ring B) |
114 | 28.03 | Glyasperin G | C21H24O5 | coumestan | 356 | [M + H]+ | 301 (M + H-C4H8), 283 (M + H-C4H8-H2O), 191 (C11H11O3) |
115 | 28.13 | Cyclolicocoumarone | 20O20H 5 C | Resorcinol | 340 | [M-H]− | 109 (M-H-C14H16O3), 80 (C6H8), 68 (C5H8), 52 (C4H4) |
116 | 28.22 | Licoflavone A | C20H18O4 | Flavone | 322 | [M-H]− | 252 (M-H-isoprenyl unit), 204 (1,3 A−), 120 (1,3B−) |
117 | 28.38 | Glabraisoflavanone A | C25H28O4 | isoflavanone | 392 | [M-H]− | 373 (M-H-H2O), 348 (M-H-CO2), 363 (M-H-CO), 322 (M-H-isoprenyl unit), 204 (1,3 A−) |
118 | 28.5 | Isoglabrolide | C30H44O4 | Triterpene Saponin (oleanane type) | 468 | [M + H]+ | 451(M + H-H2O), 425 (M + H-CO2), 413 (M + H- C4H8), 407 (M + H-CO2-H2O), 395 (M + H-C4H8-H2O) |
119 | 28.7 | Licocoumarin Aa | C25H26O5 | Coumarin | 406 | [M-H]− | 336 (M-H- isoprenyl unit), 267 (M-H-2 isoprenyl unit), 229 (C14H13O3), 161 (C9H5O3), 117 (C8H5O) |
120 | 29.17 | Kanzonol Za | 26O25H 5 C | Flavanone | 406 | [M-H]− | 387 (M-H-H2O), 377 (M-H-CO), 361 (M-H-CO2), 336 (M-H-isoprenyl unit), 203 (1,3 A−), 227 (M-H-ring B) |
121 | 29.44 | Kanzonol Y | C25H30O5 | Chalcone | 410 | [M-H]− | 340 (M-H- isoprenyl unit), 271 (M-H- 2 isoprenyl unit), 232 (X2), 204 (Y1), 176 (X1) (Figure S2) |
122 | 29.45 | Licochalcone A, 2’-hydroxy | C21H22O5 | Chalcone | 354 | [M-H]− | 338 (M-H-CH3), 284 (M-H- isoprenyl unit), 217 (ring B), 135 (ring A) |
123 | 30.24 | Dihydrolicoisoflavone A | C20H20O6 | isoflavanone | 356 | [M-H]− | 337 (M-H-H2O), 327 (M-H-CO), 311 (M-H-CO2), 286 (M-H-isoprenyl unit), 151 (1,3 A−), 202 (1,3B−) |
124 | 30.95 | Kanzonol B | 18O20H4C | Chalcone | 322 | [M + H]+ | 214 (X2), 187 (Y2), 138 (Y1), 110 (X1) (Figure S2) |
125 | 31.24 | Glabrenea | C20H18O4 | Pyranoisoflavene | 322 | [M-H]− | 121 (1,3 A−), 199 (1,3B−), 306 (M-H-CH3), 293 (M-H-CO), 277 (M-H-CO2) |
126 | 32.09 | Yunganoside E3 | C36H52O10 | Triterpene Saponin (oleanane type) | 644 | [M-H]− | 467 (M-H-glucouronic residue), 176 (glucouronic residue) |
127 | 32.21 | Shinpterocarpina | C20H18O4 | Pterocarpan | 322 | [M-H]− | 212 (C14H12O2), 146 (C9H6O2), 122 (C7H6O2) |
128 | 32.2 | Glycyrrhetinic acid | 30O46H4C | Triterpene Saponin | 469 | [M-H]− | 450 (M-H-H2O), 423 (M-H-COOH), 406 (M-H-CO2-H2O) |
129 | 32.8 | Hispaglabridin B | C25H26O4 | Pyranoisoflavan | 390 | [M + H]+ | 347 (M + H-CO2), 363 (M + H-CO), 189 (2,3B+) |
130 | 33.57 | Trihydroxy-diprenylisoflavan | C25H30O | Isoflavan | 394 | [M + H]+ | 367 (M + H-CO), 351 (M + H-CO2), 257 (M + H-2 isoprenyl unit), 191 (1,3 A+), 215 (M + H- ring B) |
131 | 34.08 | Glyinflanin A | C25H28O5 | Chalcone | 408 | [M-H]− | 338 (M-H- isoprenyl unit), 269 (M-H-2 isoprenyl unit), 230 (X2), 204 (Y1), 202 (Y2), 176 (X1) [Figure S2] |
132 | 34.1 | Erypoegin B, O-De-Me | C20H18O4 | Pyranoisoflavene | 322 | [M-H]− | 137 (1,3 A−), 183((1,3B−), 306 (M-H-CH3), 293 (M-H-CO), 277 (M-H-CO2) |
133 | 34.2 | Dihydroxy-dimethoxy prenylisoflavan | C22H26O5 | Isoflavan | 370 | [M + H]+ | 341 (M + H-2 OCH3), 302 (M + H-isoprenyl unit), 153 (1,3 A+), 179 (M + H-ring B) |