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|
mz |
rt |
RI |
VIP |
p.value |
FDR |
Tukeys HSD |
beta-Tocopherol |
223.219 |
19.525 |
1065021.120 |
1.277 |
0.000 |
0.000 |
0.000 |
D-Threitol |
147.132 |
9.769 |
467618.880 |
1.274 |
0.000 |
0.000 |
0.000 |
Lactitol |
204.200 |
17.828 |
961831.060 |
1.277 |
0.000 |
0.000 |
0.000 |
Caffeine |
194.171 |
12.737 |
649316.310 |
1.269 |
0.000 |
0.000 |
0.000 |
L-Glutamate |
246.250 |
10.820 |
531986.440 |
1.267 |
0.000 |
0.000 |
0.000 |
Hexane-1,2,3,4,5-pentol |
219.195 |
12.161 |
614013.060 |
1.271 |
0.000 |
0.000 |
0.000 |
D-Erythrose |
117.115 |
9.415 |
445937.380 |
1.304 |
0.000 |
0.000 |
0.000 |
Gallic acid |
281.202 |
13.255 |
680998.120 |
1.218 |
0.000 |
0.000 |
0.000 |
Mandelonitrile |
190.156 |
8.642 |
398822.750 |
1.274 |
0.000 |
0.000 |
0.000 |
L-Serine |
204.219 |
8.612 |
396932.190 |
1.262 |
0.000 |
0.000 |
0.000 |
D-Arabonic acid |
103.094 |
11.805 |
592239.310 |
1.254 |
0.000 |
0.000 |
0.000 |
Cysteine |
100.082 |
10.319 |
501367.660 |
1.395 |
0.000 |
0.000 |
0.000 |
D-Threonic acid |
147.132 |
10.296 |
499883.190 |
1.298 |
0.000 |
0.000 |
0.000 |
L-Rhamnose |
117.114 |
11.496 |
573359.120 |
1.241 |
0.000 |
0.000 |
0.000 |
Pentofuranose |
103.094 |
11.226 |
556729.690 |
1.329 |
0.000 |
0.000 |
0.000 |
2-Isopropylmalic acid |
275.279 |
10.480 |
511072.410 |
1.268 |
0.000 |
0.000 |
0.000 |
D-Glyceric acid |
147.131 |
8.330 |
379716.060 |
1.284 |
0.000 |
0.000 |
0.000 |
DL-Valine |
144.180 |
7.501 |
329393.190 |
1.251 |
0.000 |
0.000 |
0.000 |
D-myo-Inositol 4-phosphate |
318.291 |
16.011 |
850084.380 |
1.225 |
0.000 |
0.000 |
0.000 |
Shikimic acid |
204.194 |
12.205 |
616811.620 |
1.260 |
0.000 |
0.000 |
0.000 |
Sphingosine |
204.197 |
16.011 |
850089.380 |
1.257 |
0.000 |
0.000 |
0.000 |
Orotic acid |
254.214 |
11.771 |
590188.000 |
1.212 |
0.000 |
0.000 |
0.000 |
DL-Glutamine |
156.156 |
11.998 |
604033.560 |
1.255 |
0.000 |
0.000 |
0.000 |
Citramalic acid |
247.233 |
9.611 |
458080.000 |
1.248 |
0.000 |
0.000 |
0.000 |
N-Acetyl-beta-D-glucosamine |
319.300 |
14.396 |
750898.560 |
1.299 |
0.000 |
0.000 |
0.000 |
Methanolphosphate |
241.163 |
6.897 |
291918.780 |
1.168 |
0.000 |
0.000 |
0.000 |
DL-Tartaric acid |
147.134 |
10.915 |
538199.060 |
1.320 |
0.000 |
0.000 |
0.000 |
D-Ribofuranose |
103.092 |
11.096 |
549461.440 |
1.272 |
0.000 |
0.000 |
0.000 |
Oxalic acid |
147.133 |
6.421 |
262359.970 |
1.312 |
0.000 |
0.000 |
0.000 |
trans-Cinnamate |
131.103 |
10.355 |
503522.560 |
1.198 |
0.000 |
0.000 |
0.000 |
9-Octadecenoic acid |
91.084 |
14.959 |
785602.940 |
1.198 |
0.000 |
0.000 |
0.000 |
Glycerophosphoric acid |
299.212 |
11.861 |
595684.690 |
1.210 |
0.000 |
0.000 |
0.000 |
alpha-D-Mannose |
319.303 |
14.226 |
740998.250 |
1.144 |
0.000 |
0.000 |
0.000 |
Allose |
205.202 |
12.963 |
663251.750 |
1.440 |
0.000 |
0.000 |
0.000 |
D-Erythronolactone |
147.131 |
8.784 |
407422.280 |
1.237 |
0.000 |
0.000 |
0.000 |
Sialic acid |
169.149 |
16.951 |
907709.380 |
1.157 |
0.000 |
0.000 |
0.000 |
(E)-3,4-dihydroxycinnamic acid |
219.171 |
14.444 |
753836.440 |
1.265 |
0.000 |
0.000 |
0.000 |
6-o-Phosphonohexose |
387.295 |
16.707 |
892720.000 |
1.235 |
0.000 |
0.000 |
0.000 |
D-Glucarate |
147.135 |
13.610 |
702743.940 |
1.274 |
0.000 |
0.000 |
0.000 |
Butenedioic acid |
245.182 |
8.553 |
393318.160 |
1.278 |
0.000 |
0.000 |
0.000 |
beta-D-Fructose 6-phosphate |
315.244 |
15.365 |
810393.060 |
1.219 |
0.000 |
0.000 |
0.000 |
(E)-P-Coumaricacid |
219.192 |
13.214 |
678497.310 |
1.095 |
0.000 |
0.000 |
0.000 |
L-Allothreonine |
117.118 |
8.842 |
410935.340 |
1.286 |
0.000 |
0.000 |
0.000 |
6-Deoxyglucitol |
117.111 |
11.964 |
602029.940 |
1.285 |
0.000 |
0.000 |
0.000 |
3,7-Dimethyl-2,6-octadien-1-ol |
93.058 |
8.694 |
401923.500 |
1.294 |
0.000 |
0.000 |
0.000 |
Glyceryl palmitate |
371.445 |
16.945 |
907318.880 |
1.192 |
0.000 |
0.000 |
0.000 |
Myo-Inositol |
217.204 |
14.123 |
733441.120 |
1.310 |
0.000 |
0.000 |
0.000 |
D-Galactarate |
333.283 |
13.712 |
708932.940 |
1.195 |
0.000 |
0.000 |
0.000 |
sn-Glycerol-1-phosphate |
211.108 |
10.702 |
524708.120 |
1.144 |
0.000 |
0.000 |
0.000 |
D-Glycero-D-ido-Heptonic acid |
143.117 |
13.883 |
719757.880 |
1.220 |
0.000 |
0.000 |
0.000 |
(9Z,12Z,15Z)-Octadecatrienoic acid |
95.117 |
14.956 |
785350.250 |
1.199 |
0.000 |
0.000 |
0.000 |
D-2-Galactosamine |
159.163 |
13.117 |
672325.380 |
1.269 |
0.000 |
0.000 |
0.000 |
4-Hydroxybenzoic acid |
267.215 |
10.945 |
539575.250 |
1.253 |
0.000 |
0.000 |
0.000 |
3-(Acetyloxy)-2-aminopropanoic acid |
174.178 |
8.929 |
416586.840 |
1.093 |
0.000 |
0.000 |
0.000 |
6-Deoxy-Hexose |
117.116 |
11.611 |
580380.500 |
1.210 |
0.000 |
0.000 |
0.000 |
Uracil, 1-beta-D-ribofuranosyl- |
217.207 |
16.243 |
864226.560 |
1.380 |
0.000 |
0.000 |
0.000 |
Xylitol |
147.133 |
11.584 |
578707.250 |
1.271 |
0.000 |
0.000 |
0.000 |
Pentitol |
103.093 |
11.382 |
566439.440 |
1.296 |
0.000 |
0.000 |
0.000 |
D-Arabitol |
103.094 |
11.394 |
566864.940 |
1.296 |
0.000 |
0.000 |
0.000 |
L-Pipecolate |
156.190 |
8.722 |
403603.160 |
1.248 |
0.000 |
0.000 |
0.000 |
Chimyl alcohol |
117.101 |
16.323 |
869368.120 |
1.269 |
0.000 |
0.000 |
0.000 |
L-Proline |
142.167 |
8.094 |
365270.910 |
1.342 |
0.000 |
0.000 |
0.000 |
5-Hydroxynorvaline |
142.169 |
10.252 |
497159.720 |
1.241 |
0.000 |
0.000 |
0.000 |
N-Acetylmannosamine |
147.136 |
15.218 |
801116.750 |
1.095 |
0.000 |
0.000 |
0.000 |
D-(+)-Cellobiose |
259.241 |
17.275 |
927897.190 |
1.231 |
0.000 |
0.000 |
0.000 |
DL-Glutamate |
246.283 |
10.996 |
542183.620 |
1.236 |
0.000 |
0.001 |
0.000 |
Aminomalonate |
218.205 |
9.596 |
457013.530 |
1.251 |
0.000 |
0.001 |
0.000 |
Salicylate |
267.216 |
9.981 |
480592.500 |
1.226 |
0.000 |
0.001 |
0.000 |
L-Gulcono-1,4-lactone |
217.215 |
12.965 |
663382.880 |
1.433 |
0.000 |
0.001 |
0.000 |
D-Mannose 6-phosphate |
387.297 |
15.566 |
822658.620 |
1.195 |
0.000 |
0.001 |
0.000 |
Butane-1,2,3,4-tetrol |
103.091 |
10.060 |
485637.310 |
1.113 |
0.000 |
0.001 |
0.000 |
DL-Aspartic acid |
232.228 |
10.011 |
482746.120 |
1.173 |
0.000 |
0.001 |
0.000 |
Citrate |
147.130 |
12.296 |
622653.500 |
1.131 |
0.000 |
0.001 |
0.000 |
D-Fucopyranose |
117.116 |
11.604 |
580045.000 |
1.256 |
0.000 |
0.001 |
0.000 |
Montanic acid |
117.083 |
19.801 |
1082105.120 |
1.410 |
0.000 |
0.001 |
0.000 |
Linoleate |
95.116 |
14.918 |
782926.190 |
1.035 |
0.000 |
0.001 |
0.000 |
Hexitol |
217.212 |
13.669 |
706226.880 |
1.354 |
0.001 |
0.001 |
0.000 |
Diisopropanolamine |
232.226 |
9.607 |
457802.470 |
1.220 |
0.001 |
0.002 |
0.000 |
Phloroglucinol |
342.293 |
11.008 |
543459.000 |
1.094 |
0.001 |
0.002 |
0.000 |
D-Xylonolactone |
217.207 |
10.971 |
541541.750 |
1.400 |
0.001 |
0.002 |
0.000 |
alpha-d-Xylopyranose |
217.212 |
13.125 |
673095.060 |
1.182 |
0.001 |
0.003 |
0.000 |
D-Ribonate |
147.134 |
11.955 |
601387.250 |
1.209 |
0.001 |
0.003 |
0.000 |
L-Phenylalanine |
218.206 |
10.928 |
538677.060 |
1.337 |
0.001 |
0.003 |
0.000 |
6-Hydroxyhexanoic acid |
85.123 |
9.076 |
425213.000 |
1.147 |
0.001 |
0.003 |
0.000 |
Heptadecanoic acid |
117.084 |
14.501 |
756826.500 |
1.039 |
0.001 |
0.003 |
0.000 |
Sucrose |
217.203 |
17.166 |
920475.620 |
1.249 |
0.002 |
0.003 |
0.000 |
Phytol,mixture of isomers |
143.153 |
14.672 |
767814.120 |
1.198 |
0.002 |
0.004 |
0.000 |
Salicylaldehyde |
193.156 |
8.628 |
397941.750 |
1.383 |
0.002 |
0.004 |
0.000 |
L-Isoleucine |
158.207 |
8.018 |
360701.810 |
1.360 |
0.002 |
0.005 |
0.000 |
Docosane |
85.123 |
15.877 |
841601.190 |
1.117 |
0.002 |
0.005 |
0.000 |
Serine |
116.100 |
7.721 |
342600.440 |
1.164 |
0.002 |
0.005 |
0.000 |
d-Glycero-d-galacto-heptose |
217.208 |
14.532 |
759377.560 |
1.115 |
0.003 |
0.005 |
0.000 |
Glycine |
174.193 |
8.159 |
369284.690 |
1.310 |
0.003 |
0.006 |
0.000 |
1,5-Anhydrohexitol |
129.103 |
11.458 |
570971.380 |
1.363 |
0.003 |
0.006 |
0.000 |
D-Lyxose |
217.209 |
10.907 |
537193.310 |
1.127 |
0.003 |
0.006 |
0.000 |
alpha-D-Mannose 1-phosphate |
204.196 |
16.013 |
850124.500 |
1.177 |
0.004 |
0.008 |
0.000 |
Phenylethyl alcohol |
103.092 |
7.461 |
326917.030 |
1.228 |
0.004 |
0.008 |
0.000 |
2-Hydroxy-3-isopropylsuccinic acid |
147.134 |
10.468 |
510741.810 |
1.057 |
0.004 |
0.008 |
0.000 |
Succinate semialdehyde |
89.071 |
6.969 |
296403.280 |
1.125 |
0.005 |
0.010 |
0.000 |
Nicotinic acid |
180.130 |
8.114 |
366527.090 |
1.323 |
0.005 |
0.010 |
0.000 |
L-Gulonolactone |
361.316 |
14.537 |
759789.940 |
1.152 |
0.006 |
0.012 |
0.000 |
Phosphoenolpyruvate |
147.130 |
5.978 |
234917.920 |
1.024 |
0.006 |
0.012 |
0.000 |
N1-Methyladenosine |
259.237 |
15.830 |
838964.750 |
1.327 |
0.007 |
0.013 |
0.000 |
L-Threonine |
117.118 |
8.056 |
363049.000 |
1.105 |
0.008 |
0.014 |
0.000 |
(+)-Mannoheptulose |
204.201 |
13.067 |
669636.880 |
1.118 |
0.008 |
0.014 |
0.000 |
1-Amino-2-propanol |
174.191 |
8.250 |
374832.280 |
1.012 |
0.008 |
0.015 |
0.000 |
D-Glucosone |
234.222 |
9.646 |
460175.590 |
1.161 |
0.009 |
0.016 |
0.000 |
2-Methylmaleic acid |
147.129 |
8.557 |
393571.380 |
1.307 |
0.009 |
0.016 |
0.000 |
Ribono-gamma-lactone |
117.099 |
11.307 |
562097.440 |
1.302 |
0.010 |
0.017 |
0.000 |
Methylamine |
171.155 |
4.690 |
154968.380 |
1.251 |
0.010 |
0.017 |
0.000 |
Salicyl alcohol |
179.151 |
9.321 |
440309.310 |
1.060 |
0.011 |
0.019 |
0.000 |
Pentadecanoic acid |
117.082 |
13.262 |
681028.000 |
1.033 |
0.012 |
0.020 |
0.000 |
Glycerol |
147.129 |
7.798 |
347267.250 |
1.034 |
0.014 |
0.022 |
0.000 |
Threonate |
147.133 |
10.263 |
498050.690 |
1.168 |
0.014 |
0.023 |
0.000 |
Putrescine |
174.190 |
11.767 |
589865.500 |
1.201 |
0.016 |
0.026 |
0.000 |
Docosanoic acid |
117.084 |
17.256 |
925888.250 |
1.218 |
0.018 |
0.028 |
0.000 |
Octadecanoic acid |
117.082 |
15.096 |
793801.560 |
1.214 |
0.019 |
0.030 |
0.000 |
Uridine |
217.206 |
16.158 |
859062.750 |
1.145 |
0.022 |
0.034 |
0.000 |
Tetradecanoic acid |
117.081 |
12.568 |
639134.120 |
1.189 |
0.025 |
0.039 |
0.000 |
Galactinol |
204.196 |
18.780 |
1019627.310 |
1.134 |
0.027 |
0.041 |
0.000 |
Thymine |
97.128 |
9.007 |
421005.470 |
1.218 |
0.028 |
0.042 |
0.000 |
3-Hydroxyaspartic acid |
218.208 |
10.923 |
537517.690 |
1.156 |
0.030 |
0.044 |
0.000 |
Hexadecanoic acid |
117.082 |
13.888 |
719900.500 |
1.060 |
0.030 |
0.044 |
0.000 |
1-Ethylnaphthalene |
117.086 |
14.952 |
785005.190 |
1.216 |
0.033 |
0.048 |
0.000 |
3-Methyl-2-oxovalerate |
89.068 |
6.897 |
292217.470 |
1.199 |
0.035 |
0.051 |
0.000 |
Erythronic acid lactone |
117.115 |
10.637 |
520882.380 |
1.010 |
0.036 |
0.051 |
0.000 |
Hexacosane |
85.121 |
16.991 |
910192.750 |
1.052 |
0.042 |
0.059 |
0.000 |
(+)-Catechin |
368.315 |
18.405 |
996823.310 |
1.052 |
0.048 |
0.068 |
0.000 |
注:RI;保留指数;mz:质核比;rt:保留时间(单位为秒);rtmin:保留时间(单位为分);*_VIP:VIP值;mean_*:平均值;sd_*:标准差;fold change:倍性变化;log2(FC):倍性变化的log2值;pvalue:统计学p值;FDR:pvalue校正值
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|
mz |
rt |
RI |
VIP |
mean_A |
sd_A |
mean_B |
sd_B |
Fold Change_A/B |
log2(FC_A/B) |
p.value |
FDR |
3-Hydroxybutyric acid |
147.129 |
6.714 |
280601.000 |
1.572 |
0.448 |
0.043 |
1.729 |
0.080 |
0.259 |
-1.949 |
0.000 |
0.004 |
alpha-D-Quinovopyranose |
117.115 |
11.533 |
575744.250 |
1.563 |
0.609 |
0.095 |
2.840 |
0.247 |
0.214 |
-2.222 |
0.000 |
0.016 |
Carnitine |
117.083 |
7.368 |
320726.000 |
1.558 |
0.018 |
0.009 |
0.115 |
0.010 |
0.161 |
-2.635 |
0.000 |
0.016 |
beta-Lactose |
361.317 |
17.730 |
955480.060 |
1.555 |
1.337 |
0.133 |
2.390 |
0.081 |
0.560 |
-0.837 |
0.000 |
0.016 |
D-Galactose |
147.129 |
12.753 |
650238.190 |
1.553 |
0.356 |
0.095 |
2.647 |
0.341 |
0.134 |
-2.895 |
0.000 |
0.016 |
alpha-D-Galactose |
319.302 |
12.751 |
650003.000 |
1.553 |
0.266 |
0.055 |
1.558 |
0.192 |
0.171 |
-2.547 |
0.000 |
0.016 |
Galacturonic acid |
333.272 |
13.202 |
678106.750 |
1.545 |
0.010 |
0.003 |
0.092 |
0.014 |
0.112 |
-3.156 |
0.001 |
0.023 |
L-Gulonate |
147.133 |
13.521 |
697888.500 |
1.539 |
0.168 |
0.158 |
3.890 |
0.704 |
0.043 |
-4.530 |
0.001 |
0.023 |
Neohesperidin |
117.105 |
16.454 |
877488.000 |
1.539 |
0.177 |
0.021 |
0.618 |
0.083 |
0.286 |
-1.808 |
0.001 |
0.023 |
6-Deoxy-Hexose |
117.116 |
11.611 |
580380.500 |
1.537 |
0.293 |
0.077 |
0.759 |
0.053 |
0.386 |
-1.373 |
0.001 |
0.023 |
D-Fucopyranose |
117.116 |
11.604 |
580045.000 |
1.537 |
0.293 |
0.076 |
0.755 |
0.053 |
0.388 |
-1.367 |
0.001 |
0.023 |
UDP-glucuronate |
217.203 |
11.744 |
588818.810 |
1.535 |
0.172 |
0.059 |
0.523 |
0.042 |
0.328 |
-1.607 |
0.001 |
0.024 |
D-Erythronolactone |
147.131 |
8.784 |
407422.280 |
1.529 |
0.138 |
0.004 |
0.103 |
0.006 |
1.334 |
0.415 |
0.001 |
0.028 |
Hexitol |
217.212 |
13.669 |
706226.880 |
1.523 |
0.128 |
0.007 |
0.175 |
0.008 |
0.734 |
-0.447 |
0.002 |
0.033 |
D-Glucose 1-phosphate |
217.183 |
11.920 |
599329.250 |
1.519 |
1.561 |
0.120 |
3.672 |
0.496 |
0.425 |
-1.235 |
0.002 |
0.035 |
Pentofuranose |
103.094 |
11.226 |
556729.690 |
1.515 |
0.610 |
0.084 |
0.953 |
0.015 |
0.641 |
-0.642 |
0.002 |
0.036 |
Cyclohexylamine |
128.138 |
5.810 |
224467.170 |
1.514 |
0.181 |
0.044 |
0.379 |
0.024 |
0.477 |
-1.069 |
0.002 |
0.036 |
D-Erythrose |
117.115 |
9.415 |
445937.380 |
1.513 |
0.017 |
0.003 |
0.032 |
0.003 |
0.541 |
-0.885 |
0.002 |
0.036 |
D-Gluconic acid, delta-lactone |
217.205 |
12.828 |
655628.000 |
1.511 |
10.877 |
1.605 |
18.416 |
1.116 |
0.591 |
-0.760 |
0.003 |
0.036 |
D-Glucose |
205.205 |
12.826 |
654842.750 |
1.508 |
27.516 |
4.086 |
46.269 |
2.893 |
0.595 |
-0.750 |
0.003 |
0.038 |
Levoglucosan |
204.197 |
11.470 |
571716.120 |
1.498 |
0.235 |
0.030 |
0.424 |
0.045 |
0.553 |
-0.856 |
0.004 |
0.046 |
2-keto-L-gluconate |
147.136 |
12.685 |
645239.750 |
1.476 |
8.998 |
2.079 |
17.713 |
1.935 |
0.508 |
-0.977 |
0.006 |
0.069 |
L-Gulcono-1,4-lactone |
217.215 |
12.965 |
663382.880 |
1.476 |
1.879 |
0.311 |
3.154 |
0.277 |
0.596 |
-0.747 |
0.006 |
0.069 |
Vanillic acid |
297.228 |
11.955 |
601547.380 |
1.472 |
0.150 |
0.034 |
0.254 |
0.008 |
0.591 |
-0.758 |
0.007 |
0.069 |
Phosphoric acid |
299.212 |
7.795 |
347029.090 |
1.471 |
151.218 |
49.176 |
4.600 |
0.558 |
32.871 |
5.039 |
0.007 |
0.069 |
2-O-alpha-Mannosyl-D-glycerate |
204.199 |
14.943 |
784407.190 |
1.468 |
0.110 |
0.019 |
0.052 |
0.003 |
2.097 |
1.069 |
0.007 |
0.069 |
lyxo-2-Hexulose |
103.093 |
12.704 |
647207.380 |
1.465 |
21.714 |
5.027 |
39.715 |
3.657 |
0.547 |
-0.871 |
0.007 |
0.069 |
Allose |
205.202 |
12.963 |
663251.750 |
1.464 |
5.536 |
0.995 |
9.340 |
0.872 |
0.593 |
-0.754 |
0.008 |
0.069 |
Decanoic acid |
229.263 |
9.533 |
453229.380 |
1.463 |
0.019 |
0.002 |
0.029 |
0.003 |
0.660 |
-0.600 |
0.008 |
0.069 |
D-(-)-Fructose |
103.093 |
12.642 |
643489.190 |
1.458 |
31.837 |
7.812 |
57.660 |
4.941 |
0.552 |
-0.857 |
0.008 |
0.073 |
Glycerophosphoric acid |
299.212 |
11.861 |
595684.690 |
1.450 |
0.122 |
0.033 |
0.032 |
0.003 |
3.837 |
1.940 |
0.010 |
0.080 |
Sedoheptulose |
191.172 |
15.734 |
833189.620 |
1.443 |
0.278 |
0.034 |
0.370 |
0.010 |
0.751 |
-0.414 |
0.011 |
0.086 |
2-Hydroxypyridine |
152.121 |
5.493 |
204825.750 |
1.436 |
3.014 |
0.598 |
4.777 |
0.353 |
0.631 |
-0.664 |
0.012 |
0.093 |
Octadecanol |
327.440 |
14.572 |
761681.690 |
1.408 |
0.078 |
0.007 |
0.113 |
0.014 |
0.689 |
-0.538 |
0.017 |
0.124 |
L-Isoleucine |
158.207 |
8.018 |
360701.810 |
1.402 |
0.286 |
0.119 |
0.565 |
0.038 |
0.505 |
-0.985 |
0.018 |
0.124 |
2-Oxoglutarate |
117.105 |
10.461 |
509882.160 |
1.402 |
0.039 |
0.008 |
0.018 |
0.004 |
2.148 |
1.103 |
0.018 |
0.124 |
L-Valine |
144.183 |
7.272 |
315184.970 |
1.399 |
0.770 |
0.229 |
1.309 |
0.080 |
0.588 |
-0.765 |
0.018 |
0.124 |
Purine riboside |
217.205 |
15.735 |
833091.440 |
1.397 |
0.522 |
0.844 |
2.387 |
0.087 |
0.219 |
-2.194 |
0.019 |
0.124 |
DL-Ascorbic acid |
147.135 |
13.188 |
676924.690 |
1.396 |
0.088 |
0.020 |
0.138 |
0.012 |
0.639 |
-0.646 |
0.019 |
0.124 |
3-Hydroxypyridine |
152.121 |
6.606 |
273863.970 |
1.395 |
0.192 |
0.028 |
0.280 |
0.029 |
0.687 |
-0.542 |
0.019 |
0.124 |
Cysteine |
100.082 |
10.319 |
501367.660 |
1.394 |
0.020 |
0.001 |
0.017 |
0.001 |
1.205 |
0.269 |
0.019 |
0.124 |
Diethyl phthalate |
149.093 |
12.725 |
648588.190 |
1.391 |
3.950 |
0.987 |
6.160 |
0.264 |
0.641 |
-0.641 |
0.020 |
0.124 |
beta-D-Glucose |
205.206 |
12.961 |
662238.000 |
1.388 |
5.035 |
1.834 |
9.376 |
0.877 |
0.537 |
-0.897 |
0.021 |
0.126 |
6-o-Phosphonohexose |
387.295 |
16.707 |
892720.000 |
1.374 |
0.004 |
0.001 |
0.002 |
0.000 |
2.849 |
1.511 |
0.024 |
0.141 |
Salicylaldehyde |
193.156 |
8.628 |
397941.750 |
1.361 |
0.009 |
0.002 |
0.017 |
0.003 |
0.531 |
-0.912 |
0.027 |
0.155 |
Glycerol |
147.129 |
7.798 |
347267.250 |
1.352 |
12.092 |
2.252 |
7.448 |
0.872 |
1.624 |
0.699 |
0.029 |
0.164 |
Butylamine |
174.192 |
6.208 |
249137.360 |
1.350 |
0.168 |
0.017 |
0.248 |
0.039 |
0.675 |
-0.567 |
0.030 |
0.164 |
1-Octanol |
103.094 |
6.174 |
247057.920 |
1.346 |
1.275 |
0.160 |
2.021 |
0.361 |
0.631 |
-0.665 |
0.031 |
0.166 |
4-Chloropyridine-2,6-dicarboxylic acid |
259.240 |
14.042 |
729148.250 |
1.341 |
0.016 |
0.006 |
0.005 |
0.002 |
3.299 |
1.722 |
0.032 |
0.169 |
9-Hexadecenoic acid |
117.082 |
13.761 |
712076.310 |
1.340 |
0.044 |
0.016 |
0.216 |
0.091 |
0.202 |
-2.308 |
0.032 |
0.169 |
Azelaic acid |
317.291 |
12.181 |
615474.120 |
1.337 |
0.048 |
0.003 |
0.062 |
0.007 |
0.776 |
-0.366 |
0.033 |
0.169 |
Xylitol |
147.133 |
11.584 |
578707.250 |
1.334 |
0.086 |
0.016 |
0.122 |
0.011 |
0.706 |
-0.502 |
0.034 |
0.169 |
Threonate |
147.133 |
10.263 |
498050.690 |
1.326 |
0.123 |
0.128 |
0.359 |
0.031 |
0.342 |
-1.547 |
0.036 |
0.175 |
D-Arabinose |
103.094 |
11.048 |
546101.500 |
1.325 |
0.460 |
0.106 |
0.675 |
0.059 |
0.681 |
-0.555 |
0.036 |
0.175 |
alpha-D-Mannose |
319.303 |
14.226 |
740998.250 |
1.322 |
0.408 |
0.106 |
0.220 |
0.004 |
1.855 |
0.891 |
0.037 |
0.175 |
Montanic acid |
117.083 |
19.801 |
1082105.120 |
1.320 |
0.078 |
0.016 |
0.117 |
0.015 |
0.671 |
-0.576 |
0.038 |
0.175 |
D-Glyceric acid |
147.131 |
8.330 |
379716.060 |
1.316 |
0.170 |
0.020 |
0.211 |
0.011 |
0.808 |
-0.308 |
0.039 |
0.178 |
sn-Glycerol-1-phosphate |
211.108 |
10.702 |
524708.120 |
1.304 |
0.020 |
0.006 |
0.009 |
0.001 |
2.163 |
1.113 |
0.042 |
0.188 |
Gallic acid |
281.202 |
13.255 |
680998.120 |
1.303 |
3.373 |
1.559 |
0.721 |
0.156 |
4.679 |
2.226 |
0.043 |
0.188 |
D-Xylonolactone |
217.207 |
10.971 |
541541.750 |
1.300 |
5.929 |
1.610 |
3.073 |
0.542 |
1.929 |
0.948 |
0.044 |
0.189 |
Orotic acid |
254.214 |
11.771 |
590188.000 |
1.292 |
0.003 |
0.000 |
0.002 |
0.000 |
1.450 |
0.536 |
0.046 |
0.196 |
Methylamine |
171.155 |
4.690 |
154968.380 |
1.286 |
106.377 |
38.943 |
39.803 |
12.630 |
2.673 |
1.418 |
0.048 |
0.201 |
Hydroxyacetone |
217.209 |
11.361 |
564777.190 |
1.284 |
0.105 |
0.022 |
0.145 |
0.012 |
0.722 |
-0.469 |
0.049 |
0.202 |
注:RI;保留指数;mz:质核比;rt:保留时间(单位为秒);rtmin:保留时间(单位为分);*_VIP:VIP值;mean_*:平均值;sd_*:标准差;fold change:倍性变化;log2(FC):倍性变化的log2值;pvalue:统计学p值;FDR:pvalue校正值
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|
mz |
rt |
RI |
VIP |
mean_A |
sd_A |
mean_C |
sd_C |
Fold Change_A/C |
log2(FC_A/C) |
p.value |
FDR |
beta-Tocopherol |
223.219 |
19.525 |
1065021.120 |
1.217 |
0.002 |
0.001 |
0.233 |
0.004 |
0.009 |
-6.872 |
0.000 |
0.000 |
D-Threitol |
147.132 |
9.769 |
467618.880 |
1.216 |
0.226 |
0.112 |
28.341 |
0.777 |
0.008 |
-6.968 |
0.000 |
0.000 |
Lactitol |
204.200 |
17.828 |
961831.060 |
1.215 |
0.058 |
0.020 |
27.340 |
1.248 |
0.002 |
-8.871 |
0.000 |
0.000 |
Caffeine |
194.171 |
12.737 |
649316.310 |
1.215 |
0.780 |
1.251 |
54.448 |
2.140 |
0.014 |
-6.125 |
0.000 |
0.000 |
Cysteine |
100.082 |
10.319 |
501367.660 |
1.215 |
0.020 |
0.001 |
0.005 |
0.000 |
4.343 |
2.119 |
0.000 |
0.000 |
L-Glutamate |
246.250 |
10.820 |
531986.440 |
1.215 |
6.436 |
0.730 |
25.783 |
0.566 |
0.250 |
-2.002 |
0.000 |
0.000 |
Hexane-1,2,3,4,5-pentol |
219.195 |
12.161 |
614013.060 |
1.214 |
0.007 |
0.003 |
0.166 |
0.009 |
0.045 |
-4.469 |
0.000 |
0.000 |
D-Erythrose |
117.115 |
9.415 |
445937.380 |
1.212 |
0.017 |
0.003 |
0.327 |
0.024 |
0.053 |
-4.228 |
0.000 |
0.001 |
Gallic acid |
281.202 |
13.255 |
680998.120 |
1.211 |
3.373 |
1.559 |
34.179 |
2.058 |
0.099 |
-3.341 |
0.000 |
0.001 |
Mandelonitrile |
190.156 |
8.642 |
398822.750 |
1.211 |
0.002 |
0.000 |
0.313 |
0.028 |
0.008 |
-7.053 |
0.000 |
0.001 |
Octadecanol |
327.440 |
14.572 |
761681.690 |
1.207 |
0.078 |
0.007 |
0.018 |
0.001 |
4.438 |
2.150 |
0.000 |
0.002 |
L-Serine |
204.219 |
8.612 |
396932.190 |
1.207 |
0.696 |
0.892 |
13.880 |
1.202 |
0.050 |
-4.318 |
0.000 |
0.002 |
D-Arabonic acid |
103.094 |
11.805 |
592239.310 |
1.206 |
0.040 |
0.027 |
0.745 |
0.077 |
0.053 |
-4.231 |
0.000 |
0.002 |
D-Threonic acid |
147.132 |
10.296 |
499883.190 |
1.206 |
0.157 |
0.107 |
3.947 |
0.425 |
0.040 |
-4.652 |
0.000 |
0.002 |
Pentofuranose |
103.094 |
11.226 |
556729.690 |
1.206 |
0.610 |
0.084 |
4.082 |
0.393 |
0.149 |
-2.742 |
0.000 |
0.002 |
Allose |
205.202 |
12.963 |
663251.750 |
1.205 |
5.536 |
0.995 |
15.700 |
0.734 |
0.353 |
-1.504 |
0.000 |
0.002 |
L-Rhamnose |
117.114 |
11.496 |
573359.120 |
1.205 |
0.020 |
0.010 |
0.151 |
0.012 |
0.132 |
-2.918 |
0.000 |
0.002 |
2-Isopropylmalic acid |
275.279 |
10.480 |
511072.410 |
1.205 |
0.003 |
0.003 |
0.473 |
0.058 |
0.007 |
-7.212 |
0.000 |
0.002 |
D-Glyceric acid |
147.131 |
8.330 |
379716.060 |
1.204 |
0.170 |
0.020 |
1.693 |
0.196 |
0.101 |
-3.313 |
0.000 |
0.002 |
DL-Valine |
144.180 |
7.501 |
329393.190 |
1.203 |
0.004 |
0.002 |
0.057 |
0.007 |
0.066 |
-3.931 |
0.000 |
0.003 |
Butylamine |
174.192 |
6.208 |
249137.360 |
1.202 |
0.168 |
0.017 |
0.038 |
0.004 |
4.356 |
2.123 |
0.000 |
0.003 |
3-Hydroxybutyric acid |
147.129 |
6.714 |
280601.000 |
1.202 |
0.448 |
0.043 |
0.096 |
0.023 |
4.686 |
2.228 |
0.000 |
0.003 |
Oxalic acid |
147.133 |
6.421 |
262359.970 |
1.202 |
3.428 |
0.707 |
17.406 |
1.815 |
0.197 |
-2.344 |
0.000 |
0.003 |
Shikimic acid |
204.194 |
12.205 |
616811.620 |
1.201 |
0.700 |
0.167 |
18.731 |
2.535 |
0.037 |
-4.741 |
0.000 |
0.003 |
Sphingosine |
204.197 |
16.011 |
850089.380 |
1.201 |
0.019 |
0.009 |
0.313 |
0.041 |
0.059 |
-4.078 |
0.000 |
0.003 |
DL-Tartaric acid |
147.134 |
10.915 |
538199.060 |
1.200 |
0.064 |
0.031 |
0.317 |
0.019 |
0.200 |
-2.319 |
0.000 |
0.003 |
D-myo-Inositol 4-phosphate |
318.291 |
16.011 |
850084.380 |
1.200 |
0.087 |
0.032 |
0.624 |
0.071 |
0.140 |
-2.840 |
0.000 |
0.003 |
Orotic acid |
254.214 |
11.771 |
590188.000 |
1.200 |
0.003 |
0.000 |
0.012 |
0.001 |
0.207 |
-2.272 |
0.000 |
0.003 |
DL-Glutamine |
156.156 |
11.998 |
604033.560 |
1.199 |
0.417 |
0.203 |
5.753 |
0.780 |
0.072 |
-3.788 |
0.000 |
0.003 |
N-Acetyl-beta-D-glucosamine |
319.300 |
14.396 |
750898.560 |
1.199 |
0.030 |
0.010 |
0.302 |
0.040 |
0.101 |
-3.313 |
0.000 |
0.003 |
Citramalic acid |
247.233 |
9.611 |
458080.000 |
1.199 |
0.009 |
0.003 |
0.149 |
0.021 |
0.059 |
-4.075 |
0.000 |
0.003 |
D-Ribofuranose |
103.092 |
11.096 |
549461.440 |
1.197 |
0.919 |
0.061 |
6.593 |
0.896 |
0.139 |
-2.843 |
0.000 |
0.003 |
Methanolphosphate |
241.163 |
6.897 |
291918.780 |
1.194 |
0.033 |
0.017 |
0.174 |
0.017 |
0.187 |
-2.418 |
0.001 |
0.004 |
trans-Cinnamate |
131.103 |
10.355 |
503522.560 |
1.194 |
0.040 |
0.017 |
0.189 |
0.019 |
0.210 |
-2.254 |
0.001 |
0.004 |
Glycerophosphoric acid |
299.212 |
11.861 |
595684.690 |
1.194 |
0.122 |
0.033 |
1.259 |
0.193 |
0.097 |
-3.367 |
0.001 |
0.004 |
(E)-3,4-dihydroxycinnamic acid |
219.171 |
14.444 |
753836.440 |
1.193 |
0.007 |
0.001 |
0.058 |
0.009 |
0.127 |
-2.979 |
0.001 |
0.004 |
9-Octadecenoic acid |
91.084 |
14.959 |
785602.940 |
1.193 |
0.083 |
0.025 |
0.311 |
0.031 |
0.266 |
-1.911 |
0.001 |
0.004 |
D-Erythronolactone |
147.131 |
8.784 |
407422.280 |
1.193 |
0.138 |
0.004 |
1.097 |
0.167 |
0.125 |
-2.996 |
0.001 |
0.004 |
D-Glucarate |
147.135 |
13.610 |
702743.940 |
1.192 |
0.045 |
0.023 |
0.748 |
0.123 |
0.060 |
-4.064 |
0.001 |
0.004 |
Butenedioic acid |
245.182 |
8.553 |
393318.160 |
1.192 |
0.218 |
0.073 |
0.851 |
0.086 |
0.256 |
-1.965 |
0.001 |
0.004 |
1-Octanol |
103.094 |
6.174 |
247057.920 |
1.192 |
1.275 |
0.160 |
0.343 |
0.045 |
3.719 |
1.895 |
0.001 |
0.004 |
6-o-Phosphonohexose |
387.295 |
16.707 |
892720.000 |
1.191 |
0.004 |
0.001 |
0.080 |
0.014 |
0.055 |
-4.191 |
0.001 |
0.004 |
6-Deoxyglucitol |
117.111 |
11.964 |
602029.940 |
1.191 |
0.102 |
0.018 |
0.350 |
0.041 |
0.292 |
-1.774 |
0.001 |
0.004 |
L-Allothreonine |
117.118 |
8.842 |
410935.340 |
1.191 |
0.325 |
0.234 |
2.709 |
0.367 |
0.120 |
-3.059 |
0.001 |
0.004 |
alpha-D-Mannose |
319.303 |
14.226 |
740998.250 |
1.190 |
0.408 |
0.106 |
1.447 |
0.159 |
0.282 |
-1.826 |
0.001 |
0.004 |
L-Gulcono-1,4-lactone |
217.215 |
12.965 |
663382.880 |
1.190 |
1.879 |
0.311 |
4.432 |
0.355 |
0.424 |
-1.238 |
0.001 |
0.004 |
6-Deoxy-Hexose |
117.116 |
11.611 |
580380.500 |
1.190 |
0.293 |
0.077 |
0.731 |
0.027 |
0.401 |
-1.320 |
0.001 |
0.004 |
Sialic acid |
169.149 |
16.951 |
907709.380 |
1.190 |
0.014 |
0.005 |
0.050 |
0.005 |
0.279 |
-1.843 |
0.001 |
0.004 |
Phenol |
151.122 |
5.689 |
217016.020 |
1.189 |
0.201 |
0.021 |
0.078 |
0.009 |
2.576 |
1.365 |
0.001 |
0.004 |
3,7-Dimethyl-2,6-octadien-1-ol |
93.058 |
8.694 |
401923.500 |
1.189 |
0.004 |
0.005 |
0.104 |
0.018 |
0.036 |
-4.781 |
0.001 |
0.004 |
beta-D-Fructose 6-phosphate |
315.244 |
15.365 |
810393.060 |
1.188 |
0.019 |
0.012 |
0.315 |
0.055 |
0.061 |
-4.033 |
0.001 |
0.004 |
Naphthalene |
128.114 |
7.233 |
312683.910 |
1.188 |
0.053 |
0.007 |
0.016 |
0.001 |
3.352 |
1.745 |
0.001 |
0.004 |
Myo-Inositol |
217.204 |
14.123 |
733441.120 |
1.188 |
6.951 |
1.910 |
17.761 |
0.836 |
0.391 |
-1.353 |
0.001 |
0.004 |
Decanoic acid |
229.263 |
9.533 |
453229.380 |
1.188 |
0.019 |
0.002 |
0.007 |
0.001 |
2.732 |
1.450 |
0.001 |
0.004 |
Montanic acid |
117.083 |
19.801 |
1082105.120 |
1.187 |
0.078 |
0.016 |
0.172 |
0.009 |
0.456 |
-1.134 |
0.001 |
0.004 |
4-Methyl-2-oxopentanoate |
128.116 |
7.230 |
312910.620 |
1.187 |
0.053 |
0.007 |
0.016 |
0.001 |
3.348 |
1.743 |
0.001 |
0.004 |
Uracil, 1-beta-D-ribofuranosyl- |
217.207 |
16.243 |
864226.560 |
1.187 |
0.171 |
0.037 |
0.423 |
0.033 |
0.405 |
-1.304 |
0.001 |
0.004 |
D-2-Galactosamine |
159.163 |
13.117 |
672325.380 |
1.187 |
0.020 |
0.006 |
0.056 |
0.004 |
0.361 |
-1.469 |
0.001 |
0.004 |
Glyceryl palmitate |
371.445 |
16.945 |
907318.880 |
1.185 |
0.056 |
0.028 |
0.197 |
0.006 |
0.285 |
-1.810 |
0.001 |
0.005 |
Azelaic acid |
317.291 |
12.181 |
615474.120 |
1.184 |
0.048 |
0.003 |
0.022 |
0.005 |
2.219 |
1.150 |
0.001 |
0.005 |
4-Hydroxybenzoic acid |
267.215 |
10.945 |
539575.250 |
1.183 |
0.078 |
0.008 |
0.188 |
0.022 |
0.414 |
-1.274 |
0.001 |
0.005 |
L-Proline |
142.167 |
8.094 |
365270.910 |
1.183 |
0.216 |
0.287 |
1.689 |
0.112 |
0.128 |
-2.967 |
0.001 |
0.005 |
Pentadecanoic acid |
117.082 |
13.262 |
681028.000 |
1.183 |
0.146 |
0.037 |
0.335 |
0.013 |
0.436 |
-1.197 |
0.001 |
0.005 |
Pentitol |
103.093 |
11.382 |
566439.440 |
1.182 |
0.153 |
0.041 |
1.011 |
0.178 |
0.151 |
-2.728 |
0.001 |
0.005 |
D-Arabitol |
103.094 |
11.394 |
566864.940 |
1.182 |
0.153 |
0.041 |
1.011 |
0.178 |
0.151 |
-2.728 |
0.001 |
0.005 |
(E)-P-Coumaricacid |
219.192 |
13.214 |
678497.310 |
1.182 |
0.127 |
0.044 |
0.341 |
0.012 |
0.372 |
-1.428 |
0.001 |
0.005 |
D-Glycero-D-ido-Heptonic acid |
143.117 |
13.883 |
719757.880 |
1.182 |
1.116 |
0.298 |
3.686 |
0.459 |
0.303 |
-1.723 |
0.001 |
0.005 |
D-Galactarate |
333.283 |
13.712 |
708932.940 |
1.182 |
0.005 |
0.003 |
0.043 |
0.007 |
0.116 |
-3.110 |
0.001 |
0.005 |
(9Z,12Z,15Z)-Octadecatrienoic acid |
95.117 |
14.956 |
785350.250 |
1.182 |
0.198 |
0.065 |
0.572 |
0.047 |
0.346 |
-1.532 |
0.001 |
0.005 |
Chimyl alcohol |
117.101 |
16.323 |
869368.120 |
1.181 |
0.019 |
0.008 |
0.136 |
0.024 |
0.142 |
-2.812 |
0.001 |
0.005 |
Xylitol |
147.133 |
11.584 |
578707.250 |
1.181 |
0.086 |
0.016 |
1.076 |
0.213 |
0.080 |
-3.643 |
0.001 |
0.005 |
Ricinoleic acid |
187.233 |
15.998 |
849206.620 |
1.180 |
0.074 |
0.010 |
0.029 |
0.001 |
2.554 |
1.353 |
0.001 |
0.005 |
L-Pipecolate |
156.190 |
8.722 |
403603.160 |
1.179 |
0.022 |
0.012 |
0.555 |
0.118 |
0.039 |
-4.670 |
0.001 |
0.005 |
sn-Glycerol-1-phosphate |
211.108 |
10.702 |
524708.120 |
1.178 |
0.020 |
0.006 |
0.084 |
0.013 |
0.239 |
-2.064 |
0.002 |
0.005 |
D-(+)-Cellobiose |
259.241 |
17.275 |
927897.190 |
1.176 |
0.025 |
0.005 |
0.074 |
0.010 |
0.339 |
-1.562 |
0.002 |
0.006 |
Vanillic acid |
297.228 |
11.955 |
601547.380 |
1.176 |
0.150 |
0.034 |
0.004 |
0.001 |
39.808 |
5.315 |
0.002 |
0.006 |
5-Hydroxynorvaline |
142.169 |
10.252 |
497159.720 |
1.176 |
0.082 |
0.084 |
8.432 |
1.926 |
0.010 |
-6.682 |
0.002 |
0.006 |
DL-Glutamate |
246.283 |
10.996 |
542183.620 |
1.173 |
0.005 |
0.002 |
0.182 |
0.042 |
0.029 |
-5.117 |
0.002 |
0.006 |
Salicylaldehyde |
193.156 |
8.628 |
397941.750 |
1.173 |
0.009 |
0.002 |
0.024 |
0.003 |
0.366 |
-1.450 |
0.002 |
0.006 |
Aminomalonate |
218.205 |
9.596 |
457013.530 |
1.173 |
0.004 |
0.003 |
0.109 |
0.025 |
0.038 |
-4.705 |
0.002 |
0.006 |
3-(Acetyloxy)-2-aminopropanoic acid |
174.178 |
8.929 |
416586.840 |
1.171 |
0.018 |
0.013 |
0.073 |
0.001 |
0.242 |
-2.049 |
0.002 |
0.007 |
Salicylate |
267.216 |
9.981 |
480592.500 |
1.170 |
0.049 |
0.014 |
0.551 |
0.123 |
0.088 |
-3.501 |
0.002 |
0.007 |
Benzoate |
179.134 |
7.662 |
339057.030 |
1.169 |
0.294 |
0.033 |
0.159 |
0.009 |
1.849 |
0.887 |
0.002 |
0.007 |
D-Fucopyranose |
117.116 |
11.604 |
580045.000 |
1.166 |
0.293 |
0.076 |
0.777 |
0.099 |
0.377 |
-1.408 |
0.003 |
0.008 |
N-Acetylmannosamine |
147.136 |
15.218 |
801116.750 |
1.164 |
0.271 |
0.087 |
0.757 |
0.094 |
0.358 |
-1.484 |
0.003 |
0.008 |
Hexitol |
217.212 |
13.669 |
706226.880 |
1.164 |
0.128 |
0.007 |
0.325 |
0.051 |
0.395 |
-1.341 |
0.003 |
0.008 |
D-Mannose 6-phosphate |
387.297 |
15.566 |
822658.620 |
1.163 |
0.011 |
0.009 |
0.130 |
0.030 |
0.088 |
-3.503 |
0.003 |
0.009 |
D-Xylonolactone |
217.207 |
10.971 |
541541.750 |
1.161 |
5.929 |
1.610 |
0.014 |
0.009 |
428.410 |
8.743 |
0.003 |
0.009 |
Butane-1,2,3,4-tetrol |
103.091 |
10.060 |
485637.310 |
1.160 |
0.767 |
0.104 |
0.380 |
0.020 |
2.021 |
1.015 |
0.003 |
0.009 |
Dodecane |
85.124 |
10.216 |
494993.310 |
1.160 |
1.366 |
0.231 |
0.513 |
0.041 |
2.663 |
1.413 |
0.003 |
0.009 |
DL-Aspartic acid |
232.228 |
10.011 |
482746.120 |
1.159 |
4.577 |
1.156 |
12.787 |
1.963 |
0.358 |
-1.482 |
0.003 |
0.010 |
Citrate |
147.130 |
12.296 |
622653.500 |
1.153 |
4.959 |
3.955 |
19.775 |
1.738 |
0.251 |
-1.996 |
0.004 |
0.011 |
Glycine |
174.193 |
8.159 |
369284.690 |
1.152 |
1.192 |
0.048 |
4.318 |
0.918 |
0.276 |
-1.857 |
0.004 |
0.012 |
Maleic acid |
147.132 |
8.139 |
368179.840 |
1.152 |
0.421 |
0.107 |
0.053 |
0.014 |
7.952 |
2.991 |
0.004 |
0.012 |
Diisopropanolamine |
232.226 |
9.607 |
457802.470 |
1.152 |
0.025 |
0.005 |
0.085 |
0.017 |
0.293 |
-1.773 |
0.004 |
0.012 |
L-Phenylalanine |
218.206 |
10.928 |
538677.060 |
1.151 |
0.221 |
0.118 |
0.680 |
0.068 |
0.325 |
-1.622 |
0.004 |
0.012 |
Sucrose |
217.203 |
17.166 |
920475.620 |
1.149 |
46.431 |
8.538 |
17.943 |
0.994 |
2.588 |
1.372 |
0.005 |
0.012 |
Decane |
85.124 |
8.527 |
391721.590 |
1.148 |
0.536 |
0.111 |
0.169 |
0.013 |
3.169 |
1.664 |
0.005 |
0.012 |
Uracil |
85.124 |
8.447 |
386830.160 |
1.148 |
0.371 |
0.076 |
0.121 |
0.008 |
3.058 |
1.613 |
0.005 |
0.012 |
1,5-Anhydrohexitol |
129.103 |
11.458 |
570971.380 |
1.146 |
0.088 |
0.021 |
0.167 |
0.014 |
0.524 |
-0.933 |
0.005 |
0.013 |
Propylene glycol |
117.118 |
5.062 |
178015.140 |
1.143 |
0.169 |
0.017 |
0.083 |
0.022 |
2.050 |
1.036 |
0.005 |
0.014 |
DL-Pyroglutamic acid |
156.150 |
10.083 |
487972.310 |
1.142 |
123.224 |
18.870 |
59.798 |
7.260 |
2.061 |
1.043 |
0.006 |
0.014 |
Linoleate |
95.116 |
14.918 |
782926.190 |
1.140 |
0.258 |
0.040 |
0.460 |
0.051 |
0.560 |
-0.836 |
0.006 |
0.015 |
alpha-D-Quinovopyranose |
117.115 |
11.533 |
575744.250 |
1.140 |
0.609 |
0.095 |
1.350 |
0.221 |
0.451 |
-1.149 |
0.006 |
0.015 |
6-Hydroxyhexanoic acid |
85.123 |
9.076 |
425213.000 |
1.139 |
0.421 |
0.101 |
0.110 |
0.010 |
3.808 |
1.929 |
0.006 |
0.015 |
L-Isoleucine |
158.207 |
8.018 |
360701.810 |
1.138 |
0.286 |
0.119 |
0.727 |
0.082 |
0.393 |
-1.348 |
0.006 |
0.015 |
D-Ribonate |
147.134 |
11.955 |
601387.250 |
1.135 |
0.194 |
0.101 |
0.583 |
0.082 |
0.333 |
-1.586 |
0.007 |
0.016 |
2-Butene-1,4-dicarboxylic acid |
147.136 |
10.079 |
486377.340 |
1.133 |
21.398 |
3.396 |
10.471 |
1.504 |
2.043 |
1.031 |
0.007 |
0.017 |
alpha-d-Xylopyranose |
217.212 |
13.125 |
673095.060 |
1.131 |
0.083 |
0.033 |
0.384 |
0.098 |
0.216 |
-2.214 |
0.007 |
0.018 |
Ribono-gamma-lactone |
117.099 |
11.307 |
562097.440 |
1.130 |
0.064 |
0.011 |
0.097 |
0.001 |
0.659 |
-0.602 |
0.007 |
0.018 |
Phloroglucinol |
342.293 |
11.008 |
543459.000 |
1.130 |
0.885 |
0.441 |
2.436 |
0.309 |
0.363 |
-1.461 |
0.008 |
0.018 |
Lactic acid |
147.130 |
5.681 |
216452.560 |
1.128 |
14.749 |
1.694 |
5.495 |
2.780 |
2.684 |
1.424 |
0.008 |
0.018 |
Neohesperidin |
117.105 |
16.454 |
877488.000 |
1.124 |
0.177 |
0.021 |
0.051 |
0.040 |
3.467 |
1.794 |
0.008 |
0.019 |
2-Methylmaleic acid |
147.129 |
8.557 |
393571.380 |
1.124 |
0.296 |
0.038 |
0.447 |
0.039 |
0.662 |
-0.594 |
0.009 |
0.019 |
Heptadecanoic acid |
117.084 |
14.501 |
756826.500 |
1.124 |
0.105 |
0.018 |
0.054 |
0.003 |
1.948 |
0.962 |
0.009 |
0.019 |
Phytol,mixture of isomers |
143.153 |
14.672 |
767814.120 |
1.120 |
0.013 |
0.014 |
2.944 |
1.080 |
0.004 |
-7.818 |
0.009 |
0.021 |
3-Hydroxyaspartic acid |
218.208 |
10.923 |
537517.690 |
1.119 |
0.165 |
0.178 |
0.680 |
0.068 |
0.242 |
-2.046 |
0.009 |
0.021 |
Docosane |
85.123 |
15.877 |
841601.190 |
1.110 |
0.146 |
0.027 |
0.042 |
0.030 |
3.479 |
1.798 |
0.011 |
0.025 |
N1-Methyladenosine |
259.237 |
15.830 |
838964.750 |
1.107 |
0.269 |
0.100 |
0.016 |
0.002 |
17.099 |
4.096 |
0.012 |
0.026 |
Serine |
116.100 |
7.721 |
342600.440 |
1.103 |
0.295 |
0.053 |
1.156 |
0.343 |
0.255 |
-1.972 |
0.013 |
0.027 |
Salicyl alcohol |
179.151 |
9.321 |
440309.310 |
1.102 |
0.002 |
0.000 |
0.001 |
0.000 |
2.180 |
1.125 |
0.013 |
0.027 |
Nicotinic acid |
180.130 |
8.114 |
366527.090 |
1.102 |
0.487 |
0.151 |
0.110 |
0.021 |
4.436 |
2.149 |
0.013 |
0.027 |
Phenylethyl alcohol |
103.092 |
7.461 |
326917.030 |
1.099 |
0.019 |
0.024 |
0.355 |
0.137 |
0.054 |
-4.202 |
0.014 |
0.029 |
2-O-alpha-Mannosyl-D-glycerate |
204.199 |
14.943 |
784407.190 |
1.098 |
0.110 |
0.019 |
0.270 |
0.063 |
0.407 |
-1.296 |
0.014 |
0.029 |
d-Glycero-d-galacto-heptose |
217.208 |
14.532 |
759377.560 |
1.095 |
0.005 |
0.005 |
0.018 |
0.003 |
0.256 |
-1.968 |
0.015 |
0.030 |
Galacturonic acid |
333.272 |
13.202 |
678106.750 |
1.093 |
0.010 |
0.003 |
0.020 |
0.003 |
0.512 |
-0.967 |
0.015 |
0.031 |
D-Lyxose |
217.209 |
10.907 |
537193.310 |
1.092 |
0.139 |
0.022 |
0.227 |
0.030 |
0.614 |
-0.703 |
0.015 |
0.031 |
alpha-D-Mannose 1-phosphate |
204.196 |
16.013 |
850124.500 |
1.091 |
0.017 |
0.013 |
0.271 |
0.108 |
0.064 |
-3.959 |
0.016 |
0.032 |
6-Aminohexanoate |
341.158 |
8.073 |
363585.720 |
1.083 |
0.046 |
0.013 |
0.015 |
0.005 |
3.162 |
1.661 |
0.018 |
0.035 |
9-Hexadecenoic acid |
117.082 |
13.761 |
712076.310 |
1.082 |
0.044 |
0.016 |
0.081 |
0.005 |
0.537 |
-0.898 |
0.018 |
0.036 |
Methylamine |
171.155 |
4.690 |
154968.380 |
1.079 |
106.377 |
38.943 |
19.039 |
6.025 |
5.587 |
2.482 |
0.018 |
0.037 |
Phosphoric acid |
299.212 |
7.795 |
347029.090 |
1.076 |
151.218 |
49.176 |
43.822 |
1.368 |
3.451 |
1.787 |
0.019 |
0.038 |
Succinate semialdehyde |
89.071 |
6.969 |
296403.280 |
1.070 |
0.035 |
0.009 |
0.186 |
0.070 |
0.189 |
-2.403 |
0.021 |
0.041 |
L-Gulonolactone |
361.316 |
14.537 |
759789.940 |
1.068 |
0.001 |
0.000 |
0.026 |
0.012 |
0.051 |
-4.295 |
0.022 |
0.042 |
Diethyl phthalate |
149.093 |
12.725 |
648588.190 |
1.066 |
3.950 |
0.987 |
1.728 |
0.386 |
2.285 |
1.192 |
0.022 |
0.043 |
2-Hydroxy-3-isopropylsuccinic acid |
147.134 |
10.468 |
510741.810 |
1.064 |
0.304 |
0.306 |
0.965 |
0.090 |
0.314 |
-1.669 |
0.023 |
0.044 |
2-Hydroxybutanoic acid |
101.077 |
9.069 |
424846.590 |
1.062 |
0.008 |
0.001 |
0.015 |
0.003 |
0.542 |
-0.885 |
0.023 |
0.044 |
Hexanoic acid |
333.283 |
13.802 |
714505.250 |
1.061 |
0.062 |
0.046 |
0.166 |
0.021 |
0.376 |
-1.413 |
0.023 |
0.044 |
Aspirin |
217.179 |
9.971 |
480093.880 |
1.061 |
0.089 |
0.010 |
0.124 |
0.014 |
0.723 |
-0.468 |
0.024 |
0.044 |
D-Glucosone |
234.222 |
9.646 |
460175.590 |
1.056 |
0.001 |
0.000 |
0.013 |
0.006 |
0.086 |
-3.535 |
0.025 |
0.046 |
Tetradecanoic acid |
117.081 |
12.568 |
639134.120 |
1.053 |
0.535 |
0.072 |
0.756 |
0.085 |
0.707 |
-0.501 |
0.026 |
0.048 |
Docosanoic acid |
117.084 |
17.256 |
925888.250 |
1.052 |
0.240 |
0.061 |
0.101 |
0.034 |
2.369 |
1.244 |
0.026 |
0.048 |
(+)-Mannoheptulose |
204.201 |
13.067 |
669636.880 |
1.049 |
0.093 |
0.138 |
0.390 |
0.061 |
0.239 |
-2.063 |
0.027 |
0.049 |
Cyclohexylamine |
128.138 |
5.810 |
224467.170 |
1.049 |
0.181 |
0.044 |
0.083 |
0.023 |
2.172 |
1.119 |
0.027 |
0.049 |
Putrescine |
174.190 |
11.767 |
589865.500 |
1.048 |
1.741 |
0.787 |
0.200 |
0.037 |
8.720 |
3.124 |
0.028 |
0.049 |
Octadecanoic acid |
117.082 |
15.096 |
793801.560 |
1.048 |
9.425 |
2.365 |
4.748 |
0.350 |
1.985 |
0.989 |
0.028 |
0.049 |
L-Threonine |
117.118 |
8.056 |
363049.000 |
1.048 |
0.125 |
0.063 |
0.408 |
0.131 |
0.306 |
-1.710 |
0.028 |
0.049 |
Phosphoenolpyruvate |
147.130 |
5.978 |
234917.920 |
1.047 |
0.983 |
0.292 |
0.410 |
0.035 |
2.398 |
1.262 |
0.028 |
0.049 |
Nonadecane |
85.123 |
14.403 |
751380.250 |
1.045 |
0.122 |
0.025 |
0.071 |
0.008 |
1.729 |
0.790 |
0.029 |
0.050 |
Uridine |
217.206 |
16.158 |
859062.750 |
1.040 |
1.493 |
0.731 |
0.103 |
0.010 |
14.534 |
3.861 |
0.030 |
0.052 |
3-Methyl-2-oxovalerate |
89.068 |
6.897 |
292217.470 |
1.036 |
0.010 |
0.003 |
0.016 |
0.001 |
0.603 |
-0.730 |
0.032 |
0.054 |
Threonate |
147.133 |
10.263 |
498050.690 |
1.033 |
0.123 |
0.128 |
2.357 |
1.199 |
0.052 |
-4.262 |
0.033 |
0.056 |
D-Gluconic acid, delta-lactone |
217.205 |
12.828 |
655628.000 |
1.031 |
10.877 |
1.605 |
7.810 |
0.446 |
1.393 |
0.478 |
0.033 |
0.057 |
Nonanoic acid |
215.246 |
8.675 |
400767.440 |
1.027 |
0.114 |
0.037 |
0.045 |
0.006 |
2.539 |
1.344 |
0.035 |
0.058 |
1-Amino-2-propanol |
174.191 |
8.250 |
374832.280 |
1.022 |
0.171 |
0.063 |
0.057 |
0.014 |
3.015 |
1.592 |
0.037 |
0.061 |
beta-Lactose |
361.317 |
17.730 |
955480.060 |
1.021 |
1.337 |
0.133 |
0.835 |
0.249 |
1.602 |
0.679 |
0.037 |
0.061 |
Glycerol |
147.129 |
7.798 |
347267.250 |
1.020 |
12.092 |
2.252 |
8.030 |
0.422 |
1.506 |
0.591 |
0.037 |
0.062 |
1-Ethylnaphthalene |
117.086 |
14.952 |
785005.190 |
1.018 |
0.430 |
0.220 |
0.843 |
0.082 |
0.510 |
-0.972 |
0.038 |
0.063 |
Thymine |
97.128 |
9.007 |
421005.470 |
1.015 |
0.081 |
0.034 |
0.021 |
0.002 |
3.812 |
1.931 |
0.039 |
0.064 |
Heptanoic acid |
187.201 |
6.834 |
287974.160 |
1.000 |
0.030 |
0.011 |
0.012 |
0.000 |
2.452 |
1.294 |
0.045 |
0.073 |
注:RI;保留指数;mz:质核比;rt:保留时间(单位为秒);rtmin:保留时间(单位为分);*_VIP:VIP值;mean_*:平均值;sd_*:标准差;fold change:倍性变化;log2(FC):倍性变化的log2值;pvalue:统计学p值;FDR:pvalue校正值
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|
mz |
rt |
RI |
VIP |
mean_B |
sd_B |
mean_C |
sd_C |
Fold Change_B/C |
log2(FC_B/C) |
p.value |
FDR |
3-(Acetyloxy)-2-aminopropanoic acid |
174.178 |
8.929 |
416586.840 |
1.157 |
0.004 |
0.000 |
0.073 |
0.001 |
0.055 |
-4.192 |
0.000 |
0.000 |
beta-Tocopherol |
223.219 |
19.525 |
1065021.120 |
1.157 |
0.002 |
0.001 |
0.233 |
0.004 |
0.007 |
-7.085 |
0.000 |
0.000 |
D-Threitol |
147.132 |
9.769 |
467618.880 |
1.156 |
0.073 |
0.002 |
28.341 |
0.777 |
0.003 |
-8.596 |
0.000 |
0.000 |
Vanillic acid |
297.228 |
11.955 |
601547.380 |
1.156 |
0.254 |
0.008 |
0.004 |
0.001 |
67.316 |
6.073 |
0.000 |
0.000 |
Malic acid |
147.130 |
9.733 |
465419.030 |
1.156 |
4.688 |
0.109 |
28.342 |
0.779 |
0.165 |
-2.596 |
0.000 |
0.000 |
L-Glutamate |
246.250 |
10.820 |
531986.440 |
1.156 |
6.152 |
0.452 |
25.783 |
0.566 |
0.239 |
-2.067 |
0.000 |
0.000 |
Phosphoric acid |
299.212 |
7.795 |
347029.090 |
1.156 |
4.600 |
0.558 |
43.822 |
1.368 |
0.105 |
-3.252 |
0.000 |
0.000 |
Caffeine |
194.171 |
12.737 |
649316.310 |
1.156 |
0.099 |
0.055 |
54.448 |
2.140 |
0.002 |
-9.097 |
0.000 |
0.000 |
Lactitol |
204.200 |
17.828 |
961831.060 |
1.155 |
0.073 |
0.002 |
27.340 |
1.248 |
0.003 |
-8.551 |
0.000 |
0.000 |
3-Hydroxynorvaline |
131.135 |
9.151 |
431322.810 |
1.155 |
0.763 |
0.030 |
0.102 |
0.010 |
7.459 |
2.899 |
0.000 |
0.000 |
(E)-P-Coumaricacid |
219.192 |
13.214 |
678497.310 |
1.155 |
0.073 |
0.004 |
0.341 |
0.012 |
0.213 |
-2.233 |
0.000 |
0.000 |
3-Hydroxybutyric acid |
147.129 |
6.714 |
280601.000 |
1.155 |
1.729 |
0.080 |
0.096 |
0.023 |
18.092 |
4.177 |
0.000 |
0.000 |
Hexane-1,2,3,4,5-pentol |
219.195 |
12.161 |
614013.060 |
1.154 |
0.006 |
0.001 |
0.166 |
0.009 |
0.039 |
-4.696 |
0.000 |
0.000 |
Gallic acid |
281.202 |
13.255 |
680998.120 |
1.154 |
0.721 |
0.156 |
34.179 |
2.058 |
0.021 |
-5.567 |
0.000 |
0.000 |
Glyceryl palmitate |
371.445 |
16.945 |
907318.880 |
1.154 |
0.043 |
0.007 |
0.197 |
0.006 |
0.217 |
-2.207 |
0.000 |
0.000 |
L-Theanine |
273.305 |
13.707 |
708670.940 |
1.153 |
0.153 |
0.004 |
0.029 |
0.007 |
5.342 |
2.417 |
0.000 |
0.000 |
Farnesyl alcohol |
130.136 |
12.081 |
609519.250 |
1.153 |
0.063 |
0.008 |
0.694 |
0.044 |
0.091 |
-3.454 |
0.000 |
0.000 |
Arabinonic acid, 1,4-lactone, TMS |
147.133 |
11.715 |
588047.060 |
1.152 |
0.242 |
0.010 |
0.636 |
0.028 |
0.380 |
-1.396 |
0.000 |
0.000 |
D-Erythrose |
117.115 |
9.415 |
445937.380 |
1.152 |
0.032 |
0.003 |
0.327 |
0.024 |
0.099 |
-3.342 |
0.000 |
0.000 |
Myo-Inositol |
217.204 |
14.123 |
733441.120 |
1.151 |
7.982 |
0.155 |
17.761 |
0.836 |
0.449 |
-1.154 |
0.000 |
0.000 |
Mandelonitrile |
190.156 |
8.642 |
398822.750 |
1.151 |
0.003 |
0.000 |
0.313 |
0.028 |
0.009 |
-6.802 |
0.000 |
0.000 |
L-Serine |
204.219 |
8.612 |
396932.190 |
1.151 |
0.523 |
0.064 |
13.880 |
1.202 |
0.038 |
-4.730 |
0.000 |
0.000 |
L-Rhamnose |
117.114 |
11.496 |
573359.120 |
1.151 |
0.014 |
0.002 |
0.151 |
0.012 |
0.095 |
-3.392 |
0.000 |
0.000 |
Nicotinic acid |
180.130 |
8.114 |
366527.090 |
1.150 |
0.350 |
0.006 |
0.110 |
0.021 |
3.189 |
1.673 |
0.000 |
0.000 |
Butane-1,2,3,4-tetrol |
103.091 |
10.060 |
485637.310 |
1.150 |
0.842 |
0.039 |
0.380 |
0.020 |
2.219 |
1.150 |
0.000 |
0.001 |
DL-Tartaric acid |
147.134 |
10.915 |
538199.060 |
1.150 |
0.087 |
0.012 |
0.317 |
0.019 |
0.276 |
-1.859 |
0.000 |
0.001 |
L-Proline |
142.167 |
8.094 |
365270.910 |
1.150 |
0.459 |
0.044 |
1.689 |
0.112 |
0.272 |
-1.879 |
0.000 |
0.001 |
Carnitine |
117.083 |
7.368 |
320726.000 |
1.150 |
0.115 |
0.010 |
0.011 |
0.002 |
10.137 |
3.342 |
0.000 |
0.001 |
Citrate |
147.130 |
12.296 |
622653.500 |
1.149 |
2.508 |
0.102 |
19.775 |
1.738 |
0.127 |
-2.979 |
0.000 |
0.001 |
Diethyl phthalate |
149.093 |
12.725 |
648588.190 |
1.148 |
6.160 |
0.264 |
1.728 |
0.386 |
3.563 |
1.833 |
0.000 |
0.001 |
D-Arabonic acid |
103.094 |
11.805 |
592239.310 |
1.148 |
0.022 |
0.002 |
0.745 |
0.077 |
0.029 |
-5.088 |
0.000 |
0.001 |
Methanolphosphate |
241.163 |
6.897 |
291918.780 |
1.148 |
0.012 |
0.001 |
0.174 |
0.017 |
0.067 |
-3.894 |
0.000 |
0.001 |
Sialic acid |
169.149 |
16.951 |
907709.380 |
1.148 |
0.008 |
0.001 |
0.050 |
0.005 |
0.164 |
-2.610 |
0.000 |
0.001 |
Cyclohexylamine |
128.138 |
5.810 |
224467.170 |
1.147 |
0.379 |
0.024 |
0.083 |
0.023 |
4.557 |
2.188 |
0.000 |
0.001 |
DL-Pyroglutamic acid |
156.150 |
10.083 |
487972.310 |
1.147 |
150.203 |
7.126 |
59.798 |
7.260 |
2.512 |
1.329 |
0.000 |
0.001 |
D-Gluconic acid, delta-lactone |
217.205 |
12.828 |
655628.000 |
1.147 |
18.416 |
1.116 |
7.810 |
0.446 |
2.358 |
1.238 |
0.000 |
0.001 |
2-Hydroxy-3-isopropylsuccinic acid |
147.134 |
10.468 |
510741.810 |
1.147 |
0.176 |
0.014 |
0.965 |
0.090 |
0.182 |
-2.456 |
0.000 |
0.001 |
Thymine |
97.128 |
9.007 |
421005.470 |
1.146 |
0.059 |
0.004 |
0.021 |
0.002 |
2.791 |
1.481 |
0.000 |
0.001 |
D-Threonic acid |
147.132 |
10.296 |
499883.190 |
1.146 |
0.331 |
0.031 |
3.947 |
0.425 |
0.084 |
-3.578 |
0.000 |
0.001 |
trans-Cinnamate |
131.103 |
10.355 |
503522.560 |
1.146 |
0.025 |
0.003 |
0.189 |
0.019 |
0.132 |
-2.923 |
0.000 |
0.001 |
Decanoic acid |
229.263 |
9.533 |
453229.380 |
1.146 |
0.029 |
0.003 |
0.007 |
0.001 |
4.141 |
2.050 |
0.000 |
0.001 |
(9Z,12Z,15Z)-Octadecatrienoic acid |
95.117 |
14.956 |
785350.250 |
1.146 |
0.167 |
0.016 |
0.572 |
0.047 |
0.292 |
-1.775 |
0.000 |
0.001 |
2-Butene-1,4-dicarboxylic acid |
147.136 |
10.079 |
486377.340 |
1.145 |
26.279 |
1.225 |
10.471 |
1.504 |
2.510 |
1.327 |
0.000 |
0.001 |
2-Isopropylmalic acid |
275.279 |
10.480 |
511072.410 |
1.145 |
0.003 |
0.001 |
0.473 |
0.058 |
0.006 |
-7.470 |
0.000 |
0.001 |
Pentose |
147.129 |
11.005 |
543282.120 |
1.145 |
0.462 |
0.085 |
1.152 |
0.004 |
0.401 |
-1.317 |
0.000 |
0.001 |
9-Octadecenoic acid |
91.084 |
14.959 |
785602.940 |
1.145 |
0.060 |
0.003 |
0.311 |
0.031 |
0.194 |
-2.368 |
0.000 |
0.001 |
D-myo-Inositol 4-phosphate |
318.291 |
16.011 |
850084.380 |
1.145 |
0.053 |
0.004 |
0.624 |
0.071 |
0.085 |
-3.549 |
0.000 |
0.001 |
Pentofuranose |
103.094 |
11.226 |
556729.690 |
1.145 |
0.953 |
0.015 |
4.082 |
0.393 |
0.233 |
-2.099 |
0.000 |
0.001 |
1-Amino-2-propanol |
174.191 |
8.250 |
374832.280 |
1.145 |
0.197 |
0.011 |
0.057 |
0.014 |
3.464 |
1.793 |
0.000 |
0.001 |
DL-Valine |
144.180 |
7.501 |
329393.190 |
1.145 |
0.002 |
0.002 |
0.057 |
0.007 |
0.043 |
-4.546 |
0.000 |
0.001 |
Cysteine |
100.082 |
10.319 |
501367.660 |
1.145 |
0.017 |
0.001 |
0.005 |
0.000 |
3.606 |
1.850 |
0.000 |
0.001 |
alpha-D-Mannose |
319.303 |
14.226 |
740998.250 |
1.144 |
0.220 |
0.004 |
1.447 |
0.159 |
0.152 |
-2.717 |
0.000 |
0.001 |
Phosphoenolpyruvate |
147.130 |
5.978 |
234917.920 |
1.144 |
1.111 |
0.086 |
0.410 |
0.035 |
2.709 |
1.438 |
0.000 |
0.001 |
D-Glyceric acid |
147.131 |
8.330 |
379716.060 |
1.144 |
0.211 |
0.011 |
1.693 |
0.196 |
0.125 |
-3.005 |
0.000 |
0.001 |
Sphingosine |
204.197 |
16.011 |
850089.380 |
1.143 |
0.014 |
0.004 |
0.313 |
0.041 |
0.046 |
-4.443 |
0.000 |
0.001 |
D-2-Galactosamine |
159.163 |
13.117 |
672325.380 |
1.142 |
0.021 |
0.002 |
0.056 |
0.004 |
0.380 |
-1.397 |
0.000 |
0.001 |
Shikimic acid |
204.194 |
12.205 |
616811.620 |
1.142 |
0.547 |
0.036 |
18.731 |
2.535 |
0.029 |
-5.098 |
0.000 |
0.001 |
Hexanoic acid |
333.283 |
13.802 |
714505.250 |
1.142 |
0.014 |
0.003 |
0.166 |
0.021 |
0.083 |
-3.587 |
0.000 |
0.001 |
Orotic acid |
254.214 |
11.771 |
590188.000 |
1.142 |
0.002 |
0.000 |
0.012 |
0.001 |
0.143 |
-2.808 |
0.000 |
0.001 |
Butenedioic acid |
245.182 |
8.553 |
393318.160 |
1.142 |
0.239 |
0.012 |
0.851 |
0.086 |
0.280 |
-1.835 |
0.000 |
0.001 |
D-Glucose |
205.205 |
12.826 |
654842.750 |
1.142 |
46.269 |
2.893 |
24.574 |
1.076 |
1.883 |
0.913 |
0.000 |
0.001 |
DL-Glutamine |
156.156 |
11.998 |
604033.560 |
1.141 |
0.339 |
0.053 |
5.753 |
0.780 |
0.059 |
-4.083 |
0.000 |
0.001 |
Octadecanol |
327.440 |
14.572 |
761681.690 |
1.141 |
0.113 |
0.014 |
0.018 |
0.001 |
6.443 |
2.688 |
0.000 |
0.001 |
Citramalic acid |
247.233 |
9.611 |
458080.000 |
1.140 |
0.005 |
0.001 |
0.149 |
0.021 |
0.036 |
-4.809 |
0.000 |
0.001 |
Heptadecanoic acid |
117.084 |
14.501 |
756826.500 |
1.139 |
0.119 |
0.010 |
0.054 |
0.003 |
2.207 |
1.142 |
0.000 |
0.001 |
N-Acetyl-beta-D-glucosamine |
319.300 |
14.396 |
750898.560 |
1.139 |
0.046 |
0.003 |
0.302 |
0.040 |
0.153 |
-2.712 |
0.000 |
0.001 |
N-Acetylmannosamine |
147.136 |
15.218 |
801116.750 |
1.138 |
0.155 |
0.003 |
0.757 |
0.094 |
0.205 |
-2.284 |
0.000 |
0.001 |
6-Hydroxyhexanoic acid |
85.123 |
9.076 |
425213.000 |
1.138 |
0.451 |
0.052 |
0.110 |
0.010 |
4.082 |
2.029 |
0.000 |
0.001 |
Glycerophosphoric acid |
299.212 |
11.861 |
595684.690 |
1.138 |
0.032 |
0.003 |
1.259 |
0.193 |
0.025 |
-5.307 |
0.000 |
0.001 |
D-Ribofuranose |
103.092 |
11.096 |
549461.440 |
1.137 |
1.006 |
0.055 |
6.593 |
0.896 |
0.153 |
-2.712 |
0.000 |
0.002 |
L-Allothreonine |
117.118 |
8.842 |
410935.340 |
1.137 |
0.438 |
0.021 |
2.709 |
0.367 |
0.162 |
-2.629 |
0.000 |
0.002 |
Ethanolamine |
174.190 |
7.776 |
346313.340 |
1.137 |
18.430 |
0.278 |
27.031 |
1.368 |
0.682 |
-0.553 |
0.000 |
0.002 |
Oxalic acid |
147.133 |
6.421 |
262359.970 |
1.137 |
4.593 |
1.024 |
17.406 |
1.815 |
0.264 |
-1.922 |
0.000 |
0.002 |
Neohesperidin |
117.105 |
16.454 |
877488.000 |
1.137 |
0.618 |
0.083 |
0.051 |
0.040 |
12.142 |
3.602 |
0.000 |
0.002 |
beta-Lactose |
361.317 |
17.730 |
955480.060 |
1.136 |
2.390 |
0.081 |
0.835 |
0.249 |
2.862 |
1.517 |
0.001 |
0.002 |
D-Erythronolactone |
147.131 |
8.784 |
407422.280 |
1.136 |
0.103 |
0.006 |
1.097 |
0.167 |
0.094 |
-3.411 |
0.001 |
0.002 |
Phloroglucinol |
342.293 |
11.008 |
543459.000 |
1.135 |
0.572 |
0.075 |
2.436 |
0.309 |
0.235 |
-2.089 |
0.001 |
0.002 |
D-Glycero-D-ido-Heptonic acid |
143.117 |
13.883 |
719757.880 |
1.135 |
0.991 |
0.052 |
3.686 |
0.459 |
0.269 |
-1.895 |
0.001 |
0.002 |
(E)-3,4-dihydroxycinnamic acid |
219.171 |
14.444 |
753836.440 |
1.134 |
0.008 |
0.001 |
0.058 |
0.009 |
0.135 |
-2.893 |
0.001 |
0.002 |
6-o-Phosphonohexose |
387.295 |
16.707 |
892720.000 |
1.134 |
0.002 |
0.000 |
0.080 |
0.014 |
0.019 |
-5.702 |
0.001 |
0.002 |
Uracil, 1-beta-D-ribofuranosyl- |
217.207 |
16.243 |
864226.560 |
1.134 |
0.232 |
0.008 |
0.423 |
0.033 |
0.547 |
-0.870 |
0.001 |
0.002 |
sn-Glycerol-1-phosphate |
211.108 |
10.702 |
524708.120 |
1.134 |
0.009 |
0.001 |
0.084 |
0.013 |
0.111 |
-3.177 |
0.001 |
0.002 |
L-Tryptophan |
202.201 |
14.931 |
783714.120 |
1.134 |
0.096 |
0.020 |
0.658 |
0.096 |
0.147 |
-2.770 |
0.001 |
0.002 |
Methyl beta-D-glucopyranoside |
204.195 |
14.433 |
752604.560 |
1.134 |
0.019 |
0.002 |
0.035 |
0.001 |
0.536 |
-0.901 |
0.001 |
0.002 |
beta-D-Fructose 6-phosphate |
315.244 |
15.365 |
810393.060 |
1.134 |
0.002 |
0.001 |
0.315 |
0.055 |
0.006 |
-7.374 |
0.001 |
0.002 |
D-Galactarate |
333.283 |
13.712 |
708932.940 |
1.133 |
0.002 |
0.000 |
0.043 |
0.007 |
0.036 |
-4.811 |
0.001 |
0.002 |
D-Xylonolactone |
217.207 |
10.971 |
541541.750 |
1.133 |
3.073 |
0.542 |
0.014 |
0.009 |
222.040 |
7.795 |
0.001 |
0.002 |
Allose |
205.202 |
12.963 |
663251.750 |
1.133 |
9.340 |
0.872 |
15.700 |
0.734 |
0.595 |
-0.749 |
0.001 |
0.002 |
D-Glucarate |
147.135 |
13.610 |
702743.940 |
1.133 |
0.063 |
0.003 |
0.748 |
0.123 |
0.084 |
-3.573 |
0.001 |
0.002 |
Dodecane |
85.124 |
10.216 |
494993.310 |
1.132 |
1.724 |
0.219 |
0.513 |
0.041 |
3.362 |
1.749 |
0.001 |
0.002 |
6-Deoxyglucitol |
117.111 |
11.964 |
602029.940 |
1.131 |
0.115 |
0.014 |
0.350 |
0.041 |
0.328 |
-1.610 |
0.001 |
0.002 |
Butylamine |
174.192 |
6.208 |
249137.360 |
1.131 |
0.248 |
0.039 |
0.038 |
0.004 |
6.453 |
2.690 |
0.001 |
0.002 |
Sucrose |
217.203 |
17.166 |
920475.620 |
1.130 |
44.146 |
4.874 |
17.943 |
0.994 |
2.460 |
1.299 |
0.001 |
0.002 |
Ricinoleic acid |
187.233 |
15.998 |
849206.620 |
1.130 |
0.098 |
0.013 |
0.029 |
0.001 |
3.386 |
1.760 |
0.001 |
0.002 |
L-Gulonate |
147.133 |
13.521 |
697888.500 |
1.128 |
3.890 |
0.704 |
0.326 |
0.021 |
11.920 |
3.575 |
0.001 |
0.003 |
3,7-Dimethyl-2,6-octadien-1-ol |
93.058 |
8.694 |
401923.500 |
1.128 |
0.010 |
0.002 |
0.104 |
0.018 |
0.100 |
-3.324 |
0.001 |
0.003 |
(+)-Mannoheptulose |
204.201 |
13.067 |
669636.880 |
1.127 |
0.080 |
0.007 |
0.390 |
0.061 |
0.205 |
-2.288 |
0.001 |
0.003 |
4-Hydroxybenzoic acid |
267.215 |
10.945 |
539575.250 |
1.127 |
0.078 |
0.005 |
0.188 |
0.022 |
0.416 |
-1.265 |
0.001 |
0.003 |
Galacturonic acid |
333.272 |
13.202 |
678106.750 |
1.126 |
0.092 |
0.014 |
0.020 |
0.003 |
4.559 |
2.189 |
0.001 |
0.003 |
Sphinganine |
204.200 |
17.210 |
923577.120 |
1.126 |
0.663 |
0.065 |
0.290 |
0.040 |
2.287 |
1.193 |
0.001 |
0.003 |
Decane |
85.124 |
8.527 |
391721.590 |
1.126 |
0.680 |
0.104 |
0.169 |
0.013 |
4.023 |
2.008 |
0.001 |
0.003 |
Naphthalene |
128.114 |
7.233 |
312683.910 |
1.125 |
0.070 |
0.011 |
0.016 |
0.001 |
4.433 |
2.148 |
0.001 |
0.003 |
4-Methyl-2-oxopentanoate |
128.116 |
7.230 |
312910.620 |
1.125 |
0.070 |
0.011 |
0.016 |
0.001 |
4.422 |
2.145 |
0.001 |
0.003 |
4-Hydroxybutanoic acid |
147.130 |
7.403 |
323410.500 |
1.124 |
0.134 |
0.016 |
0.047 |
0.009 |
2.829 |
1.500 |
0.001 |
0.003 |
D-(+)-Cellobiose |
259.241 |
17.275 |
927897.190 |
1.124 |
0.024 |
0.002 |
0.074 |
0.010 |
0.324 |
-1.624 |
0.001 |
0.003 |
Azelaic acid |
317.291 |
12.181 |
615474.120 |
1.124 |
0.062 |
0.007 |
0.022 |
0.005 |
2.860 |
1.516 |
0.001 |
0.003 |
Chimyl alcohol |
117.101 |
16.323 |
869368.120 |
1.123 |
0.023 |
0.005 |
0.136 |
0.024 |
0.171 |
-2.544 |
0.001 |
0.003 |
3-Methyl-2-butenal |
86.117 |
6.783 |
285431.310 |
1.123 |
0.131 |
0.022 |
0.019 |
0.011 |
6.749 |
2.755 |
0.001 |
0.003 |
D-Ribonate |
147.134 |
11.955 |
601387.250 |
1.122 |
0.193 |
0.017 |
0.583 |
0.082 |
0.332 |
-1.592 |
0.001 |
0.003 |
1-Octanol |
103.094 |
6.174 |
247057.920 |
1.122 |
2.021 |
0.361 |
0.343 |
0.045 |
5.894 |
2.559 |
0.001 |
0.003 |
Linoleate |
95.116 |
14.918 |
782926.190 |
1.122 |
0.195 |
0.026 |
0.460 |
0.051 |
0.424 |
-1.236 |
0.001 |
0.003 |
DL-Aspartic acid |
232.228 |
10.011 |
482746.120 |
1.122 |
3.760 |
0.137 |
12.787 |
1.963 |
0.294 |
-1.766 |
0.001 |
0.003 |
Uracil |
85.124 |
8.447 |
386830.160 |
1.122 |
0.474 |
0.077 |
0.121 |
0.008 |
3.904 |
1.965 |
0.001 |
0.003 |
L-Pipecolate |
156.190 |
8.722 |
403603.160 |
1.121 |
0.023 |
0.003 |
0.555 |
0.118 |
0.041 |
-4.622 |
0.001 |
0.003 |
alpha-D-Quinovopyranose |
117.115 |
11.533 |
575744.250 |
1.121 |
2.840 |
0.247 |
1.350 |
0.221 |
2.103 |
1.073 |
0.001 |
0.003 |
Xylitol |
147.133 |
11.584 |
578707.250 |
1.120 |
0.122 |
0.011 |
1.076 |
0.213 |
0.113 |
-3.142 |
0.001 |
0.003 |
d-Glycero-d-galacto-heptose |
217.208 |
14.532 |
759377.560 |
1.120 |
0.003 |
0.001 |
0.018 |
0.003 |
0.166 |
-2.591 |
0.002 |
0.003 |
Pentitol |
103.093 |
11.382 |
566439.440 |
1.119 |
0.221 |
0.016 |
1.011 |
0.178 |
0.219 |
-2.194 |
0.002 |
0.003 |
D-Arabitol |
103.094 |
11.394 |
566864.940 |
1.119 |
0.221 |
0.016 |
1.011 |
0.178 |
0.219 |
-2.194 |
0.002 |
0.003 |
5-Hydroxynorvaline |
142.169 |
10.252 |
497159.720 |
1.118 |
0.028 |
0.001 |
8.432 |
1.926 |
0.003 |
-8.229 |
0.002 |
0.004 |
L-Phenylalanine |
218.206 |
10.928 |
538677.060 |
1.118 |
0.332 |
0.042 |
0.680 |
0.068 |
0.489 |
-1.032 |
0.002 |
0.004 |
DL-Glutamate |
246.283 |
10.996 |
542183.620 |
1.116 |
0.003 |
0.001 |
0.182 |
0.042 |
0.019 |
-5.748 |
0.002 |
0.004 |
D-Mannose 6-phosphate |
387.297 |
15.566 |
822658.620 |
1.116 |
0.003 |
0.000 |
0.130 |
0.030 |
0.025 |
-5.321 |
0.002 |
0.004 |
Salicylate |
267.216 |
9.981 |
480592.500 |
1.115 |
0.036 |
0.015 |
0.551 |
0.123 |
0.066 |
-3.932 |
0.002 |
0.004 |
Aminomalonate |
218.205 |
9.596 |
457013.530 |
1.114 |
0.006 |
0.002 |
0.109 |
0.025 |
0.052 |
-4.262 |
0.002 |
0.004 |
Heptanoic acid |
187.201 |
6.834 |
287974.160 |
1.114 |
0.038 |
0.006 |
0.012 |
0.000 |
3.144 |
1.653 |
0.002 |
0.004 |
Nonanoic acid |
215.246 |
8.675 |
400767.440 |
1.110 |
0.134 |
0.022 |
0.045 |
0.006 |
2.996 |
1.583 |
0.002 |
0.005 |
Phenol |
151.122 |
5.689 |
217016.020 |
1.110 |
0.266 |
0.047 |
0.078 |
0.009 |
3.409 |
1.769 |
0.002 |
0.005 |
Hexadecanoic acid |
117.082 |
13.888 |
719900.500 |
1.105 |
21.173 |
1.633 |
13.618 |
1.199 |
1.555 |
0.637 |
0.003 |
0.006 |
Octadecanoic acid |
117.082 |
15.096 |
793801.560 |
1.104 |
8.244 |
0.877 |
4.748 |
0.350 |
1.736 |
0.796 |
0.003 |
0.006 |
N1-Methyladenosine |
259.237 |
15.830 |
838964.750 |
1.104 |
0.149 |
0.036 |
0.016 |
0.002 |
9.467 |
3.243 |
0.003 |
0.006 |
Nonadecane |
85.123 |
14.403 |
751380.250 |
1.102 |
0.135 |
0.016 |
0.071 |
0.008 |
1.906 |
0.931 |
0.003 |
0.007 |
Docosane |
85.123 |
15.877 |
841601.190 |
1.097 |
0.159 |
0.016 |
0.042 |
0.030 |
3.778 |
1.918 |
0.004 |
0.008 |
2-O-alpha-Mannosyl-D-glycerate |
204.199 |
14.943 |
784407.190 |
1.096 |
0.052 |
0.003 |
0.270 |
0.063 |
0.194 |
-2.365 |
0.004 |
0.008 |
Propylene glycol |
117.118 |
5.062 |
178015.140 |
1.096 |
0.220 |
0.034 |
0.083 |
0.022 |
2.667 |
1.415 |
0.004 |
0.008 |
Diisopropanolamine |
232.226 |
9.607 |
457802.470 |
1.096 |
0.025 |
0.004 |
0.085 |
0.017 |
0.290 |
-1.787 |
0.004 |
0.008 |
Uridine |
217.206 |
16.158 |
859062.750 |
1.091 |
1.330 |
0.373 |
0.103 |
0.010 |
12.947 |
3.695 |
0.005 |
0.009 |
alpha-d-Xylopyranose |
217.212 |
13.125 |
673095.060 |
1.088 |
0.068 |
0.006 |
0.384 |
0.098 |
0.178 |
-2.488 |
0.005 |
0.010 |
Montanic acid |
117.083 |
19.801 |
1082105.120 |
1.087 |
0.117 |
0.015 |
0.172 |
0.009 |
0.679 |
-0.558 |
0.005 |
0.010 |
N-Acetylhexosamine |
205.203 |
14.030 |
728430.060 |
1.085 |
0.023 |
0.006 |
0.043 |
0.003 |
0.539 |
-0.892 |
0.006 |
0.010 |
D-Lyxose |
217.209 |
10.907 |
537193.310 |
1.084 |
0.131 |
0.006 |
0.227 |
0.030 |
0.579 |
-0.787 |
0.006 |
0.011 |
Benzoate |
179.134 |
7.662 |
339057.030 |
1.082 |
0.404 |
0.080 |
0.159 |
0.009 |
2.546 |
1.349 |
0.006 |
0.011 |
3-Hydroxypyridine |
152.121 |
6.606 |
273863.970 |
1.081 |
0.280 |
0.029 |
0.176 |
0.019 |
1.589 |
0.668 |
0.006 |
0.012 |
Eicosane |
85.123 |
14.664 |
767141.880 |
1.080 |
0.300 |
0.038 |
0.178 |
0.013 |
1.686 |
0.753 |
0.007 |
0.012 |
beta-Alanine |
174.191 |
9.258 |
436352.880 |
1.075 |
0.100 |
0.008 |
0.157 |
0.018 |
0.641 |
-0.642 |
0.007 |
0.013 |
alpha-Lactose |
204.199 |
16.619 |
887363.120 |
1.074 |
0.153 |
0.010 |
0.353 |
0.069 |
0.433 |
-1.208 |
0.008 |
0.013 |
Hexitol |
217.212 |
13.669 |
706226.880 |
1.074 |
0.175 |
0.008 |
0.325 |
0.051 |
0.538 |
-0.894 |
0.008 |
0.013 |
D-(-)-Fructose |
103.093 |
12.642 |
643489.190 |
1.072 |
57.660 |
4.941 |
42.168 |
2.316 |
1.367 |
0.451 |
0.008 |
0.014 |
L-Gulcono-1,4-lactone |
217.215 |
12.965 |
663382.880 |
1.072 |
3.154 |
0.277 |
4.432 |
0.355 |
0.712 |
-0.491 |
0.008 |
0.014 |
L-Citrulline |
184.208 |
11.801 |
592115.440 |
1.070 |
0.068 |
0.018 |
0.016 |
0.005 |
4.411 |
2.141 |
0.008 |
0.014 |
Levoglucosan |
204.197 |
11.470 |
571716.120 |
1.067 |
0.424 |
0.045 |
0.256 |
0.041 |
1.661 |
0.732 |
0.009 |
0.015 |
Phytol,mixture of isomers |
143.153 |
14.672 |
767814.120 |
1.065 |
0.006 |
0.001 |
2.944 |
1.080 |
0.002 |
-8.917 |
0.009 |
0.016 |
L-Lysine |
174.195 |
13.037 |
667863.620 |
1.063 |
0.165 |
0.043 |
0.289 |
0.017 |
0.573 |
-0.804 |
0.010 |
0.016 |
2-keto-L-gluconate |
147.136 |
12.685 |
645239.750 |
1.062 |
17.713 |
1.935 |
11.421 |
1.344 |
1.551 |
0.633 |
0.010 |
0.017 |
Maleic acid |
147.132 |
8.139 |
368179.840 |
1.061 |
0.591 |
0.202 |
0.053 |
0.014 |
11.176 |
3.482 |
0.010 |
0.017 |
Serine |
116.100 |
7.721 |
342600.440 |
1.058 |
0.260 |
0.013 |
1.156 |
0.343 |
0.225 |
-2.153 |
0.011 |
0.018 |
Hexacosane |
85.121 |
16.991 |
910192.750 |
1.056 |
0.079 |
0.009 |
0.048 |
0.008 |
1.640 |
0.714 |
0.011 |
0.018 |
Urea |
147.130 |
7.536 |
331432.030 |
1.052 |
0.693 |
0.140 |
0.322 |
0.046 |
2.156 |
1.109 |
0.012 |
0.020 |
3-Methylthiopropylamine |
185.193 |
10.487 |
511741.940 |
1.052 |
0.060 |
0.003 |
0.153 |
0.037 |
0.393 |
-1.348 |
0.012 |
0.020 |
6-Aminohexanoate |
341.158 |
8.073 |
363585.720 |
1.048 |
0.083 |
0.027 |
0.015 |
0.005 |
5.697 |
2.510 |
0.013 |
0.021 |
Docosanoic acid |
117.084 |
17.256 |
925888.250 |
1.048 |
0.206 |
0.025 |
0.101 |
0.034 |
2.030 |
1.021 |
0.013 |
0.021 |
L-Valine |
144.183 |
7.272 |
315184.970 |
1.038 |
1.309 |
0.080 |
1.049 |
0.077 |
1.248 |
0.319 |
0.015 |
0.024 |
1,5-Anhydrohexitol |
129.103 |
11.458 |
570971.380 |
1.037 |
0.123 |
0.014 |
0.167 |
0.014 |
0.732 |
-0.449 |
0.016 |
0.025 |
lyxo-2-Hexulose |
103.093 |
12.704 |
647207.380 |
1.036 |
39.715 |
3.657 |
30.342 |
1.678 |
1.309 |
0.388 |
0.016 |
0.025 |
L-Threonine |
117.118 |
8.056 |
363049.000 |
1.036 |
0.105 |
0.004 |
0.408 |
0.131 |
0.256 |
-1.965 |
0.016 |
0.025 |
Allylmalonic acid |
85.120 |
8.617 |
397202.690 |
1.036 |
0.213 |
0.029 |
0.147 |
0.003 |
1.456 |
0.542 |
0.016 |
0.025 |
alpha-D-Mannose 1-phosphate |
204.196 |
16.013 |
850124.500 |
1.036 |
0.019 |
0.011 |
0.271 |
0.108 |
0.071 |
-3.826 |
0.016 |
0.025 |
Salicyl alcohol |
179.151 |
9.321 |
440309.310 |
1.033 |
0.003 |
0.001 |
0.001 |
0.000 |
2.316 |
1.212 |
0.016 |
0.026 |
Succinate semialdehyde |
89.071 |
6.969 |
296403.280 |
1.033 |
0.025 |
0.003 |
0.186 |
0.070 |
0.136 |
-2.877 |
0.017 |
0.026 |
Ethylmalonic acid |
119.106 |
7.987 |
358737.470 |
1.031 |
0.024 |
0.007 |
0.009 |
0.001 |
2.728 |
1.448 |
0.017 |
0.026 |
Phenylethyl alcohol |
103.092 |
7.461 |
326917.030 |
1.026 |
0.052 |
0.008 |
0.355 |
0.137 |
0.146 |
-2.773 |
0.018 |
0.028 |
Aldohexose |
205.204 |
12.781 |
652040.250 |
1.024 |
7.012 |
0.311 |
4.661 |
1.023 |
1.504 |
0.589 |
0.019 |
0.029 |
L-Gulonolactone |
361.316 |
14.537 |
759789.940 |
1.016 |
0.001 |
0.001 |
0.026 |
0.012 |
0.045 |
-4.461 |
0.021 |
0.032 |
Glycine |
174.193 |
8.159 |
369284.690 |
1.015 |
1.924 |
0.664 |
4.318 |
0.918 |
0.446 |
-1.166 |
0.022 |
0.032 |
2-Deoxy-D-galactose |
174.185 |
12.066 |
608269.750 |
1.009 |
0.169 |
0.034 |
0.242 |
0.010 |
0.697 |
-0.520 |
0.024 |
0.035 |
Pentadecanoic acid |
117.082 |
13.262 |
681028.000 |
1.008 |
0.117 |
0.105 |
0.335 |
0.013 |
0.350 |
-1.514 |
0.024 |
0.035 |
Ribono-gamma-lactone |
117.099 |
11.307 |
562097.440 |
1.003 |
0.078 |
0.010 |
0.097 |
0.001 |
0.798 |
-0.325 |
0.025 |
0.037 |
Dihydroquercetin |
368.320 |
18.542 |
1005201.120 |
1.001 |
0.088 |
0.022 |
0.246 |
0.077 |
0.357 |
-1.486 |
0.026 |
0.038 |
Lactic acid |
147.130 |
5.681 |
216452.560 |
1.000 |
17.841 |
5.563 |
5.495 |
2.780 |
3.247 |
1.699 |
0.026 |
0.038 |
注:RI;保留指数;mz:质核比;rt:保留时间(单位为秒);rtmin:保留时间(单位为分);*_VIP:VIP值;mean_*:平均值;sd_*:标准差;fold change:倍性变化;log2(FC):倍性变化的log2值;pvalue:统计学p值;FDR:pvalue校正值