ESI+ |
1.511 |
γ-Aminobutyric acid |
103.0632 |
1.00 |
0.000 |
−0.901 |
1.414 |
Choline |
103.0993 |
0.95 |
0.000 |
−0.211 |
1.395 |
Serine |
105.0425 |
0.91 |
0.000 |
0.686 |
1.142 |
Uracil |
112.0269 |
1.01 |
0.009 |
−0.252 |
1.223 |
Proline |
115.0631 |
1.03 |
0.003 |
0.304 |
1.070 |
Indole |
117.0577 |
5.36 |
0.017 |
0.099 |
1.442 |
Hydroxybenzaldehyde |
122.0366 |
1.04 |
0.000 |
0.432 |
1.456 |
Niacin (Nicotinic acid) |
123.0317 |
1.21 |
0.000 |
−0.786 |
1.464 |
5-Methylcytosine |
125.0586 |
2.73 |
0.000 |
1.104 |
1.395 |
Methyl 2-furoate |
126.0313 |
1.11 |
0.000 |
−0.849 |
1.500 |
Thymine |
126.0427 |
3.87 |
0.000 |
0.953 |
1.109 |
2-Pyrrolidineacetic acid |
129.0786 |
0.98 |
0.012 |
1.190 |
1.455 |
Adenine |
135.0543 |
3.46 |
0.000 |
0.516 |
1.008 |
4-Hydroxyphenylacetaldehyde |
136.0522 |
4.56 |
0.027 |
−0.370 |
1.096 |
Coumarin |
146.0364 |
4.20 |
0.013 |
−0.408 |
1.071 |
Glutamine |
146.0690 |
0.92 |
0.016 |
0.409 |
1.563 |
Lysine |
146.1053 |
0.85 |
0.000 |
1.265 |
1.217 |
Citramalic acid |
148.0373 |
4.78 |
0.004 |
−0.261 |
1.496 |
L-Methionine |
149.0507 |
1.62 |
0.000 |
0.811 |
1.489 |
Guanine |
151.0493 |
3.82 |
0.000 |
0.633 |
1.452 |
Xanthine |
152.0332 |
3.82 |
0.000 |
0.577 |
1.217 |
Perillyl alcohol |
152.1199 |
5.44 |
0.004 |
−0.702 |
1.477 |
Coumaric acid |
164.0471 |
2.32 |
0.000 |
0.567 |
1.563 |
4-Isopropylbenzoic acid |
164.0833 |
10.76 |
0.000 |
1.341 |
1.506 |
Phenylalanine |
165.0785 |
3.90 |
0.000 |
0.345 |
1.283 |
Dihydrojasmone |
166.1354 |
4.17 |
0.002 |
0.389 |
1.361 |
N-Acetylleucine |
173.1049 |
4.43 |
0.000 |
1.015 |
1.558 |
Arginine |
174.1114 |
0.91 |
0.000 |
1.201 |
1.483 |
Tyrosine |
181.0736 |
2.31 |
0.000 |
0.578 |
1.492 |
D-Sorbitol |
182.0769 |
2.32 |
0.000 |
0.572 |
1.438 |
Indoleacrylic acid |
187.0630 |
4.01 |
0.000 |
0.808 |
1.008 |
Perillyl acetate |
194.1306 |
7.56 |
0.027 |
−0.512 |
1.346 |
L-Lysopine |
218.1262 |
1.54 |
0.001 |
0.603 |
1.200 |
(4-Hydroxybenzoyl) choline |
224.1271 |
3.93 |
0.005 |
−0.469 |
1.479 |
Traumatic acid |
228.1357 |
4.57 |
0.000 |
−0.784 |
1.366 |
Costunolide |
232.1458 |
5.47 |
0.000 |
-0.784 |
1.320 |
Thymidine |
242.0899 |
3.90 |
0.001 |
0.686 |
1.154 |
Uridine |
244.0690 |
2.29 |
0.008 |
-0.223 |
1.201 |
5-L-Glutamyl-taurine |
254.0575 |
6.38 |
0.005 |
−2.068 |
1.549 |
Physovenine |
262.1312 |
4.07 |
0.000 |
1.585 |
1.286 |
Adenosine |
267.0961 |
3.50 |
0.001 |
−0.377 |
1.286 |
Dibutyl phthalate |
278.1514 |
8.85 |
0.001 |
0.259 |
1.522 |
Abietol |
288.2449 |
4.72 |
0.000 |
2.682 |
1.562 |
Serratol |
290.2605 |
4.93 |
0.000 |
2.033 |
1.096 |
Colnelenic acid |
292.2033 |
6.41 |
0.013 |
−0.348 |
1.405 |
2-Hydroxylinolenic acid |
294.2189 |
5.60 |
0.000 |
−0.362 |
1.418 |
9(S)-HODE |
296.2346 |
7.29 |
0.000 |
−1.168 |
1.272 |
Kaempferide |
300.0626 |
4.34 |
0.002 |
−0.492 |
1.142 |
2′-Deoxymugineic acid |
304.1270 |
0.76 |
0.009 |
−0.143 |
1.446 |
Copalic acid |
304.2399 |
4.38 |
0.000 |
2.209 |
1.427 |
Capsiate |
306.1825 |
5.09 |
0.000 |
−0.878 |
1.306 |
Sclareol |
308.2710 |
5.19 |
0.001 |
0.823 |
1.003 |
13(S)-HpOTrE |
310.2139 |
6.20 |
0.028 |
-0.436 |
1.258 |
Cibaric acid |
324.1933 |
6.74 |
0.002 |
0.626 |
1.031 |
p-Coumaroyl quinic acid |
338.0994 |
4.08 |
0.023 |
−0.890 |
1.167 |
Pachypodol |
344.0887 |
4.69 |
0.007 |
−0.599 |
1.479 |
Gingerdione |
348.2292 |
5.52 |
0.000 |
−0.797 |
1.420 |
6-Pentadecyl salicylic acid |
348.2659 |
9.20 |
0.000 |
−1.036 |
1.288 |
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0) |
350.2448 |
5.82 |
0.001 |
−0.689 |
1.174 |
MG(18:1(11Z)/0:0/0:0) |
356.2920 |
8.62 |
0.006 |
−0.520 |
1.282 |
MG(0:0/22:1(13Z)/0:0) |
412.3548 |
10.71 |
0.002 |
1.557 |
1.454 |
LysoPE(0:0/16:0) |
453.2848 |
8.57 |
0.000 |
−0.625 |
1.200 |
Ursonic acid |
454.3438 |
7.30 |
0.005 |
2.425 |
1.051 |
Lucidenic acid G |
476.2762 |
4.65 |
0.019 |
−1.286 |
1.499 |
LysoPE(0:0/18:2(9Z,12Z)) |
477.2845 |
7.96 |
0.000 |
−1.041 |
1.102 |
LysoPE(0:0/18:0) |
481.3158 |
8.37 |
0.013 |
−0.405 |
1.282 |
Licoagroside A |
492.1253 |
4.47 |
0.002 |
−0.413 |
1.462 |
PC(18:2(9Z,12Z)/0:0) |
519.3317 |
8.26 |
0.000 |
−1.224 |
1.404 |
PC(18:1(6Z)/0:0) |
521.3470 |
9.11 |
0.000 |
−1.549 |
1.373 |
LysoPC(0:0/18:0) |
523.3625 |
11.03 |
0.000 |
−1.250 |
1.163 |
PC(16:1(9Z)/2:0) |
535.3266 |
6.42 |
0.007 |
−1.581 |
1.062 |
Ganoderic acid |
544.3758 |
8.25 |
0.018 |
−0.968 |
1.211 |
PS(20:2(11Z,14Z)/0:0) |
549.3052 |
5.48 |
0.004 |
−0.862 |
1.310 |
PS(10:0/10:0) |
567.3161 |
4.60 |
0.001 |
−1.110 |
1.174 |
Glycosides |
584.2798 |
4.97 |
0.006 |
−0.363 |
1.345 |
DG(14:0/20:4(5Z,8Z,11Z,14Z)/0:0) |
588.4737 |
12.30 |
0.001 |
−1.057 |
1.218 |
DG(14:0/20:3(5Z,8Z,11Z)/0:0) |
590.4901 |
14.99 |
0.004 |
−0.489 |
1.148 |
Graveobioside B |
594.1570 |
4.11 |
0.008 |
−0.332 |
1.310 |
DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) |
608.4430 |
8.82 |
0.001 |
−1.268 |
1.270 |
DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0) |
610.4587 |
10.82 |
0.002 |
−0.619 |
1.377 |
PI(P-20:0/0:0) |
612.3629 |
9.04 |
0.000 |
−2.266 |
1.464 |
DG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) |
612.4743 |
12.50 |
0.000 |
-0.421 |
1.186 |
Keioside |
624.1671 |
4.18 |
0.005 |
−0.465 |
1.135 |
PG(P-16:0/12:0) |
650.4501 |
13.14 |
0.009 |
−0.404 |
1.366 |
PG(12:0/16:1(9Z)) |
664.4294 |
11.18 |
0.000 |
−2.155 |
1.281 |
PG(15:0/13:0) |
666.4460 |
10.97 |
0.002 |
-1.776 |
1.439 |
PA(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) |
716.4468 |
7.98 |
0.000 |
−2.402 |
1.076 |
PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) |
884.5436 |
14.82 |
0.016 |
0.863 |
ESI− |
1.063 |
Glyceric acid |
106.0262 |
1.01 |
0.014 |
0.225 |
1.119 |
Salicylic acid |
138.0310 |
3.84 |
0.008 |
−0.183 |
1.170 |
m-Coumaric acid/p-Coumaric acid |
164.0467 |
4.04 |
0.005 |
-0.197 |
1.461 |
Syringic acid |
198.0518 |
3.91 |
0.000 |
−0.334 |
1.178 |
Linoleic acid |
280.2380 |
8.75 |
0.004 |
0.193 |
1.109 |
Guanosine |
283.0900 |
3.74 |
0.009 |
0.238 |
1.206 |
9(S)-HOTrE |
294.2176 |
7.75 |
0.003 |
0.256 |
1.122 |
9(S)-HpOTrE |
310.2115 |
6.86 |
0.008 |
0.249 |
1.162 |
PG(6:0/6:0) |
442.2028 |
4.19 |
0.005 |
−0.252 |
1.125 |
PA(22:1(11Z)/0:0) |
492.3269 |
9.00 |
0.008 |
0.187 |
1.217 |
PG(18:2(9Z,12Z)/0:0) |
508.2855 |
4.47 |
0.003 |
0.191 |
1.353 |
PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) |
885.6122 |
0.88 |
0.000 |
−0.287 |