Skip to main content
. 2016 Mar 8;11(3):e0150647. doi: 10.1371/journal.pone.0150647

Table 5. Characterization of constituents extracted from gastrodia by ESI- linear ion trap high-resolution MS.

No. Rt (min) NI− PI+ λmax (nm) Identification
[M-H]−, [M+HCOO]− Fragment ions [M+H]+, [M+Na]+ Fragment ions ppm
1 2.44 191.0198 111.10[M-H-2H2O-CO2]−, 173.10[M-H-H2O]− 215.0160 197.10[M+Na-H2O]+ — 256 Citric Acid
2 3.17 243.0123 — 267.0196 113.10[M+H-132]+ — 262 Uridine
3 3.51 180.1078 — 182.1056 165.10[M+H-NH3]+, 136.10[M+H-HCOOH]+ 0.987 220 Tyrosine
4 3.74 — — 132.1020 115.10[M+H-NH3]+, 86.10[M+H-HCOOH]+ 0.721 217 Leucine
5 4.82 266.1567 134.12[M-H-132]− 268.1031 136.10[M+H-132]+ 1.344 259 Adenosine
6 6.36 331.1044 161.12[Glu-H]−, 123.12[M-Glu-H]− 309.0925 185.10[Glu+Na]+ 0.537 220 Gastrodin
7 8.12 — — 127.1091 108.10[M+H- H2O]−+ — 285 5-hydroxymethyl fural
8 11.37 123.1098 105.12[M-H- H2O]− — — 0.503 220 P-hydroxybenzyl alcohol
9 21.83 621.1660 441.10[M-H-162-H2O]−, 459.10[M-H-162]−, 397.10[M-H-162-H2O-CO2]−, 369.10[M-H-162-CO2]− 645.1136 539.10[M+Na-106]+, 483.10[M+Na-162]+, 377.10[M+Na-268]+, 215.10[M+Na-268-162]+ 0.411 222 Mono-substituted parishin glucoside
10 23.25 459.1145 173.10[M-H-268-H2O]−, 129.10[M-H-268-H2O-CO2]− 483.1123 377.11[M+Na-106]+, 321.11[M+Na-162]+, 215.11[M+Na -268]+, 185.11[Glu+Na]+ 0.493 221 parishin H
11 25.15 459.1145 173.10[M-H-268-H2O]−, 129.10[M-H-268-H2O-CO2]− 483.1091 377.10[M+Na-2CO2-H2O]+, 321.10[M+Na-162]+, 215.10[M+Na -268]+, 185.10[Glu+Na]+ 0.679 221 parishin E
12 25.72 412.1178 306.10[M-H-106]− 414.1331 339.10[M+H-75]+, 308.10[M+H-106]+, 285.12[M+H-147+H2O]+, 179.12[M+H-147+H2O-106]+, 233.12[M+H-106-75]+ 2.094 224 S-(4-hydroxybenzyl) -glutathione
13 27.94 489.1247 427.10[M-H-H2O-CO2]−, 173.10[M-H-268-H2O-30]− 513.1048 377.00[M+Na-2Co2-H2O]+, 215.10[M+Na-268-30]+ 0.436 223 Methoxy mono-substituted parishin
14 30.82 518.1593 412.10[M-H-162-106]−, 306.10[M-H-162-106-106]− 520.3333 377.10[M+Na-2CO2-H2O-30]+, 339.10[M+H-75-106]+, 308.10[M+H-106-106]+, 285.10[M+H-147+H2O-106]+, 233.10[M+H-106-75-106]+, 179.10[M+H-147+H2O-106-106]+ 0.458 224 P-hydroxybenzyl s-(4-hydroxybenzyl) -glutathione
15 32.91 889.2617 621.10[M-H-268]−, 603.10[M-H-268-H2O]−, 585.10[M-H-268-2H2O]−, 559.10[M-H-268-H2O-CO2]−, 531.10[M-3H-268-2CO2]−, 423.10[M-H-268-2H2O-162]−, 397.10[M-H-268-H2O-CO2-162]− 913.2527 807.11[M+Na-106]+, 645.11[M+Na-268]+, 483.11[M+Na-268-162]+ — 224 Di-substituted parishin glucoside
16 35.50 727.2083 471.10[M-H-268-H2O]−, 453.10[M-H-268-2H2O]−, 423.10[M-H-268-2H2O-30]−, 397.10[M-H-268-H2O-CO2]−, 369.10[M-3H-268-2CO2-30]− 751.2071 645.10[M+Na-106]+, 483.10[M+Na-268]+, 539.10[M+Na-106-106]+, 589.10[M+Na-162]+, 377.10[M+Na-106-268]+, 215.10[M+Na-268-268]+ 0.582 222 Di-substituted parishin
17 36.13 727.2092 459.10[M-H-268]−, 441.10[M-H-268-H2O]−, 423.10[M-H-268-2H2O]−, 397.10[M-H-268-H2O-CO2]−, 369.10[M-3H-268-2CO2]− 751.4514 645.10[M+Na-106]+, 483.10[M+Na-268]+, 539.10[M+Na-106-106]+, 589.10[M+Na-162]+, 377.10[M+Na-106-268]+, 215.10[M+Na-268-268]+ 0.692 222 parishin B
18 36.22 889.2617 621.10[M-H-268]−, 603.10[M-H-268-H2O]−, 585.10[M-H-268-2H2O]−, 559.10[M-H-268-H2O-CO2]−, 531.10[M-3H-268-2CO2]−, 423.10[M-H-268-2H2O-162]−, 397.10[M-H-268-H2O-CO2-162]− 913.1057 807.10[M+Na-268+Glc]+, 645.10[M+Na-268]+, 483.10[M+Na-268-162]+ — 224 Di-substituted parishin glucoside isomer
19 37.26 757.2189 471.10[M-H-268-H2O]−, 453.10[M-H-268-2H2O]−, 423.11[M-H-268-2H2O-30]−, 397.10[M-H-268-H2O-CO2]−, 369.10[M-3H-268-2CO2-30]− 781.4503 483.10[M+Na-268-162-30]+, 513.10[M+Na-268]+, 675.10[M+Na-268+Glu]+ 5.178 225 Methoxy di-substituted parishin
20 37.98 727PONE-D-15-37678R3.2070 459.10[M-H-268]−, 441.10[M-H-268-H2O]−, 423.10[M-H-268-2H2O]−, 397.10[M-H-268-H2O-CO2]−, 369.10[M-3H-268-2CO2]− 751.2071 645.10[M+Na-106]+, 483.10[M+Na-268]+, 539.10[M+Na-106-106]+, 589.10[M+Na-162]+, 377.10[M+Na-106-268]+, 215.10[M+Na-268-268]+ 3.049 222 parishin C
21 39.11 757.2189 471.10[M-H-268-H2O]−, 453.10[M-H-268-2H2O]−, 423.10[M-H-268-2H2O-30]−, 397.10[M-H-268-H2O-CO2]−, 369.10[M-3H-268-2CO2-30]− 781.4555 483.10[M+Na-268-162-30]+, 513.10[M+Na-268]+, 675.10[M+Na-268+Glu]+ 5.178 225 Methoxy di-substituted parishin isomer
22 39.51 741.2240 741.10[M-H]−, 473.10[M-H-268]−, 441.10[M-H-268-H2O-14]− 765.2215 659.10[M+Na-106]+, 603.10[M+Na-162]+, 497.10[M+Na-268-14]+, 391.10[M+Na-106-268]+ 0.550 224 Methyl di-substituted parishin
23 40.59 787.2303 741.10[M-H]−, 473.10[M-H-268]−, 441.10[M-H-268-H2O-14]− 765.1089 659.10[M+Na-106]+, 603.10[M+Na-162]+, 497.10[M+Na-268-14]+, 391.10[M+Na-106-268]+ 0.610 224 Methyl di-substituted parishin isomer
24 42.02 1157.3546 889.10[M-H-268]−, 727.10[M-H-268-162]−, 585.10[M-H-2TMS]−, 423.10[M-H-2TMS-162]−, 379.10[M-H-2TMS-CO2-162]− 1181.1189 913.10[M+Na-TMS+H2O]+, 807.10[M+Na-268-268+Glu]+, 751.10[M+Na-268-162]+, 645.10[M+Na-268-268+Glu-162]+, 483.10[M+Na-268-268-162]+ 3.271 223 Parishin glucoside
25 42.39 995.3034 727.10[M-H-268]−, 441.10[M-H-268-268-H2O]−, 423.10[M-H-268-268-2H2O]−, 397.10[M-H-268-268-H2O-CO2]−, 379.10[M-H-268-268-2H2O-CO2]− 1019.1771 913.10[M+Na-106]+, 857.10[M+Na-162]+, 807.10[M+Na-106-106]+, 751.10[M+Na-268]+, 645.10[M+Na-268-268+Glu]+, 589.10[M+Na-162-268]+, 539.10[M+Na-106-106-268]+, 483.10[M+Na-268-268]+, 377.10[M+Na-106-268-268]+ 1.797 222 Parishin
26 42.81 1025.3138 757.10[M-H-268]−, 727.10[M-H-268-30]− 1049.3097 781.10[M+Na-268]+, 751.10[M+Na-268–30]+, 645.10[M+Na-268-268+162–30]+, 483.10[M+Na-268-268-30]+ 0.760 224 Methyl parishin
27 43.01 565.1553 529.10[M-H-2H2O]−, 503.10[M-H-CO2-H2O]−, 459.10[M-H-106]−, 397.10[M-H-106-H2O-CO2]−, 173.10[M-H-268-H2O-106]− 589.1525 571.10[M+Na-H2O]+, 483.10[M+Na-106]+, 215.10[M+Na-268-106]+ 0.091 224 P-hydroxybenzyl mono-substituted parishin
28 43.89 565.1556 529.10[M-H-2H2O]−, 503.10[M-H-CO2-H2O]−, 459.10[M-H-106]−, 397.10[M-H-106-H2O-CO2]−, 173.10[M-H-268-H2O-106]− 589.1523 571.10[M+Na-H2O]+, 483.10[M+Na-106]+, 215.10[M+Na-268-106]+ 0.091 224 P-hydroxybenzyl mono-substituted parishin isomer
29 44.34 833.2500 727.10[M-H-106]−, 441.10[M-H-268-H2O-106]−, 397.10[M-H-268-H2O-CO2-106]− 857.2483 751.10[M+Na-106]+, 645.10[M+Na-268+162–106]+, 589.10[M+Na-268]+, 483.10[M+Na-268-106]+, 377.10[M+Na-268-106-106]+ 0.893 228 P-hydroxybenzyl di-substituted parishin
30 45.91 833.2501 727.10[M-H-106]−, 441.10[M-H-268-H2O-106]−, 423.10[M-H-268-2H2O-106]−, 397.10[M-H-268-H2O-CO2-106]−, 369.10[M-3H-268-2CO2-106]−, 263.10[M-3H-268-2CO2-106-106]− 857.2461 751.10[M+Na-106]+, 645.10[M+Na-268+162–106]+, 589.10[M+Na-268]+, 483.10[M+Na-268-106]+, 377.10[M+Na-268-106-106]+ 0.893 228 P-hydroxybenzyl di-substituted parishin isomer
31 46.18 1101.3436 995.10[M-H-106]−, 833.10[M-H-268]−, 727.10[M-H-268-106]− 1125.3408 1019.10[M+Na-106]+, 857.10[M+Na -268]+, 589.10[M+Na-268-268]+, 483[M+Na-268-268-106]+ 0.984 225 P-hydroxybenzyl parishin