Amino acids and amino acid derivatives
|
l-Serine |
389.699 |
106.050 |
1.437 |
3.838 |
Up |
1.235 |
0.047 |
2.671 |
l-Lysine |
532.865 |
147.112 |
3.324 |
19.025 |
Up |
1.318 |
0.006 |
5.723 |
beta-Alanine |
359.246 |
90.055 |
10.680 |
24.322 |
Up |
1.243 |
0.024 |
2.277 |
d-Ornithine |
547.123 |
133.097 |
0.386 |
1.065 |
Up |
1.229 |
0.036 |
2.760 |
d-Proline |
514.857 |
116.070 |
1.293 |
4.484 |
Up |
1.316 |
0.010 |
3.467 |
Tryptophan |
0.876 |
205.096 |
4.911 |
16.538 |
Up |
1.242 |
0.018 |
1.717 |
5-Hydroxy-l-tryptophan |
297.080 |
221.091 |
0.051 |
0.190 |
Up |
1.217 |
0.039 |
3.701 |
l-Norleucine |
279.448 |
130.086 |
255.886 |
427.238 |
Up |
1.283 |
0.045 |
1.670 |
l-Valine |
313.992 |
118.086 |
24.588 |
58.664 |
Up |
1.250 |
0.037 |
2.386 |
l-Phenylalanine |
273.762 |
166.085 |
35.455 |
102.182 |
Up |
1.275 |
0.029 |
2.882 |
l-Tyrosine |
316.869 |
182.080 |
8.767 |
33.059 |
Up |
1.225 |
0.027 |
3.771 |
Prolylglycine |
311.634 |
173.091 |
0.045 |
0.160 |
Up |
1.236 |
0.019 |
3.531 |
l-Glutamic acid |
411.255 |
148.059 |
10.094 |
24.526 |
Up |
1.204 |
0.035 |
2.430 |
l-Asparagine |
389.770 |
133.060 |
3.387 |
9.566 |
Up |
1.228 |
0.029 |
2.825 |
Argininosuccinic acid |
484.113 |
291.127 |
0.052 |
0.179 |
Up |
1.230 |
0.028 |
3.430 |
Glutamyllysine |
506.193 |
276.153 |
0.014 |
0.089 |
Up |
1.331 |
0.001 |
6.526 |
Gamma-glutamyl ornithine |
465.060 |
262.138 |
0.116 |
0.419 |
Up |
1.316 |
0.005 |
3.601 |
Lysyl-Glycine |
470.018 |
204.133 |
0.543 |
1.578 |
Up |
1.251 |
0.021 |
2.906 |
Leucyl-Glycine |
120.022 |
189.122 |
1.042 |
2.057 |
Up |
1.174 |
0.043 |
1.974 |
Lysyl-Arginine |
572.540 |
303.211 |
0.080 |
0.462 |
Up |
1.332 |
0.003 |
5.748 |
Lysyl-Aspartate |
482.117 |
262.138 |
0.022 |
0.093 |
Up |
1.276 |
0.028 |
4.164 |
Aspartyl-Arginine |
456.445 |
290.143 |
0.254 |
0.816 |
Up |
1.282 |
0.021 |
3.215 |
Lysyl-Lysine |
574.436 |
275.206 |
0.043 |
0.237 |
Up |
1.344 |
0.000 |
5.507 |
Prolyl-Lysine |
485.670 |
244.164 |
0.412 |
1.618 |
Up |
1.247 |
0.020 |
3.924 |
Hydroxyprolyl-Arginine |
380.695 |
288.165 |
0.094 |
0.160 |
Up |
1.171 |
0.048 |
1.706 |
N
6-Acetyl-l-lysine |
403.155 |
189.122 |
0.108 |
0.230 |
Up |
1.195 |
0.036 |
2.125 |
Epsilon-(gamma-glutamyl)-lysine |
342.282 |
114.091 |
0.426 |
0.164 |
down |
1.294 |
0.002 |
0.385 |
Vinylacetylglycine |
445.764 |
144.065 |
0.948 |
1.564 |
Up |
1.215 |
0.035 |
1.650 |
N-Acetyldopamine |
389.971 |
196.096 |
0.052 |
0.139 |
Up |
1.206 |
0.035 |
2.658 |
5-Aminopentanal |
268.421 |
102.091 |
0.855 |
1.795 |
Up |
1.146 |
0.050 |
2.100 |
5-Aminopentanoic acid |
285.672 |
118.086 |
153.482 |
232.481 |
Up |
1.193 |
0.037 |
1.515 |
(3S,5S)-3,5-Diaminohexanoate |
358.914 |
147.112 |
0.082 |
0.127 |
Up |
1.221 |
0.031 |
1.543 |
Sphingolipids
|
Sphinganine |
126.829 |
302.303 |
0.150 |
0.483 |
Up |
1.245 |
0.030 |
3.213 |
Dehydrophytosphingosine |
150.057 |
316.283 |
2.173 |
4.968 |
Up |
1.266 |
0.018 |
2.286 |
Phospholipids
|
PC(15:0/15:0) |
165.938 |
706.534 |
0.876 |
2.051 |
Up |
1.219 |
0.044 |
2.341 |
PC(16:0/16:0) |
143.618 |
734.567 |
0.113 |
0.247 |
Up |
1.166 |
0.049 |
2.182 |
PC(16:1(9Z)/14:0) |
165.938 |
704.517 |
0.871 |
1.784 |
Up |
1.224 |
0.027 |
2.048 |
PC(16:1(9Z)/15:0) |
165.148 |
718.532 |
0.430 |
1.172 |
Up |
1.282 |
0.006 |
2.726 |
PC(18:1(11Z)/14:0) |
163.671 |
732.548 |
7.850 |
16.581 |
Up |
1.262 |
0.017 |
2.112 |
PC(16:1(9Z)/16:1(9Z)) |
164.080 |
730.535 |
2.463 |
5.134 |
Up |
1.203 |
0.042 |
2.085 |
PC(18:2(9Z,12Z)/18:0) |
158.697 |
786.596 |
11.337 |
23.771 |
Up |
1.263 |
0.008 |
2.097 |
PC(15:0/18:2(9Z,12Z)) |
163.281 |
744.549 |
0.774 |
1.979 |
Up |
1.248 |
0.015 |
2.557 |
PC(24:1(15Z)/14:1(9Z)) |
61.254 |
814.623 |
0.138 |
0.500 |
Up |
1.257 |
0.012 |
3.630 |
PC(20:2(11Z,14Z)/15:0) |
160.063 |
772.580 |
0.970 |
2.096 |
Up |
1.263 |
0.013 |
2.162 |
PC(16:1(9Z)/P-18:1(11Z)) |
157.795 |
742.570 |
0.117 |
0.261 |
Up |
1.303 |
0.009 |
2.221 |
PC(18:3(6Z,9Z,12Z)/15:0) |
163.278 |
742.532 |
0.383 |
0.964 |
Up |
1.277 |
0.010 |
2.517 |
PC(18:3(9Z,12Z,15Z)/14:0) |
164.912 |
728.519 |
0.237 |
0.600 |
Up |
1.246 |
0.041 |
2.536 |
PC(22:2(13Z,16Z)/16:1(9Z)) |
157.827 |
812.611 |
1.076 |
1.904 |
Up |
1.194 |
0.042 |
1.769 |
PC(18:3(6Z,9Z,12Z)/18:1(11Z)) |
59.786 |
782.561 |
4.189 |
14.056 |
Up |
1.185 |
0.028 |
3.355 |
PC(18:3(6Z,9Z,12Z)/P-18:1(11Z)) |
156.085 |
766.568 |
2.699 |
4.163 |
Up |
1.169 |
0.046 |
1.542 |
PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) |
60.817 |
780.549 |
5.307 |
23.397 |
Up |
1.270 |
0.010 |
4.409 |
PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) |
154.689 |
764.555 |
1.898 |
3.151 |
Up |
1.242 |
0.013 |
1.661 |
PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) |
153.256 |
834.593 |
4.658 |
9.579 |
Up |
1.230 |
0.044 |
2.056 |
PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) |
150.997 |
862.623 |
0.162 |
0.494 |
Up |
1.290 |
0.009 |
3.048 |
PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) |
149.122 |
818.601 |
0.802 |
1.068 |
Up |
1.237 |
0.042 |
1.332 |
PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) |
155.152 |
722.508 |
1.542 |
2.651 |
Up |
1.181 |
0.048 |
1.719 |
LysoPE(0:0/14:0) |
224.850 |
426.258 |
0.013 |
0.048 |
Up |
1.235 |
0.022 |
3.755 |
LysoPC(16:0) |
212.374 |
496.336 |
6.094 |
25.253 |
Up |
1.253 |
0.021 |
4.144 |
LysoPC(P-16:0) |
205.967 |
480.341 |
0.194 |
0.479 |
Up |
1.250 |
0.020 |
2.470 |
LysoPC(18:1(9Z)) |
209.520 |
522.353 |
14.907 |
66.989 |
Up |
1.226 |
0.034 |
4.494 |
SM(d18:1/16:0) |
200.851 |
703.569 |
0.195 |
0.937 |
Up |
1.332 |
0.001 |
4.798 |
SM(d18:1/20:0) |
197.867 |
759.630 |
0.029 |
0.118 |
Up |
1.267 |
0.018 |
4.072 |
SM(d18:0/18:1(9Z)) |
198.900 |
731.601 |
0.113 |
0.611 |
Up |
1.319 |
0.002 |
5.425 |
Other lipids
|
(2E)-Decenoyl-ACP |
532.921 |
130.085 |
1.731 |
8.939 |
Up |
1.317 |
0.007 |
5.164 |
Phosphodimethylethanolamine |
460.647 |
170.057 |
0.123 |
0.561 |
Up |
1.312 |
0.003 |
4.561 |
5α-Cholesta-8,24-dien-3-one |
31.273 |
383.328 |
0.201 |
0.341 |
Up |
1.225 |
0.026 |
1.702 |
Aromatic compounds
|
Quinone |
223.123 |
109.028 |
0.106 |
0.386 |
Up |
1.220 |
0.026 |
3.653 |
Phenol |
316.869 |
95.049 |
0.194 |
0.763 |
Up |
1.212 |
0.037 |
3.929 |
Parabanic acid |
16.343 |
112.998 |
0.825 |
0.976 |
Up |
1.495 |
0.012 |
1.183 |
Benzaldehyde |
273.701 |
107.049 |
0.358 |
1.088 |
Up |
1.291 |
0.022 |
3.037 |
4-Hydroxybenzaldehyde |
316.993 |
123.044 |
1.072 |
4.121 |
Up |
1.221 |
0.031 |
3.844 |
2-Phenylacetamide |
184.356 |
128.143 |
11.688 |
20.587 |
Up |
1.280 |
0.018 |
1.761 |
1H-Indole-3-carboxaldehyde |
276.993 |
146.059 |
0.518 |
1.876 |
Up |
1.190 |
0.028 |
3.619 |
1H-Indole-2,3-dione |
47.215 |
148.038 |
0.163 |
0.464 |
Up |
1.209 |
0.029 |
2.855 |
Energy metabolism-related
|
O-Phosphotyrosine |
492.769 |
262.049 |
0.271 |
1.058 |
Up |
1.308 |
0.002 |
3.902 |
Isocitral |
183.881 |
153.127 |
0.087 |
0.177 |
Up |
1.147 |
0.041 |
2.034 |
3-Dehydroxycarnitine |
390.707 |
146.117 |
31.835 |
78.692 |
Up |
1.260 |
0.018 |
2.472 |
Secondary metabolites of plants
|
7-Hydroxy-2-phenyl-4H-chromen-4-one |
202.998 |
237.054 |
0.326 |
0.640 |
Up |
1.569 |
0.011 |
1.961 |
Glycitein |
145.862 |
307.060 |
0.154 |
0.317 |
Up |
1.327 |
0.001 |
2.061 |
Luteolin 4′-sulfate |
26.207 |
367.009 |
0.032 |
0.100 |
Up |
1.318 |
0.001 |
3.154 |
Momordicinin |
30.867 |
439.355 |
0.026 |
0.045 |
Up |
1.311 |
0.002 |
1.708 |
Isoquinoline |
137.025 |
130.064 |
0.099 |
0.269 |
Up |
1.279 |
0.018 |
2.713 |
2-Propylpiperidine |
184.356 |
128.143 |
11.688 |
20.587 |
Up |
1.280 |
0.018 |
1.761 |
Pipericine |
1.954 |
336.324 |
0.007 |
0.016 |
Up |
1.139 |
0.044 |
2.296 |
Nucleotides and nucleotide derivatives
|
8-Hydroxyguanine |
309.359 |
168.051 |
0.253 |
0.403 |
Up |
1.189 |
0.045 |
1.593 |
Pyrimidine |
172.823 |
81.045 |
0.134 |
0.585 |
Up |
1.259 |
0.043 |
4.361 |
3-Aminoisobutanoic acid |
350.392 |
102.055 |
0.655 |
1.177 |
Up |
1.500 |
0.027 |
1.796 |
Cyclic AMP |
281.191 |
328.044 |
0.319 |
1.564 |
Up |
1.461 |
0.041 |
4.903 |
3′-AMP |
420.136 |
346.055 |
0.424 |
0.863 |
Up |
1.330 |
0.041 |
0.662 |
Vitamin D3 |
31.910 |
385.343 |
0.164 |
0.326 |
Up |
1.204 |
0.039 |
1.988 |