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通过对代谢物进行筛选，寻找差异代谢物（biomarker）。相关差异代谢物筛选条件有：

p-value ≤ 0.05 且 VIP ≥ 1^[1]
p-value ≤ 0.05 且 fold_change ≥ 1.5或≤0.667^[2]
one-way ANOVA p-value ≤ 0.05^[3]
two-way ANOVA p-value ≤ 0.05^[4]

详细含义：

筛选值	筛选值含义	筛选阈值	备注
p-value	统计学上显著差异	p-value ≤ 0.05	无
VIP	OPLS-DA第一主成分变量重要性值投影	VIP ≥ 1	无
Fold change	两两组别间倍性变化	fold_change ≥1.5或≤0.667	含量差异较大
one-way ANOVA p-value	一维方差分析	p-value ≤ 0.05	主要用于时间序列，梯度浓度处理等
two-way ANOVA p-value	两因素方差分析	p-value ≤ 0.05	一般为两因素情况，如对照-处理+时间序列样本

本实验采用条件 1+3 进行代谢物筛选，最终获得的差异代谢物见下表：

差异信息汇总信息

差异信息汇总表格；dam_DEG.xlsx

dam_DEG.xlsx 包含“stats”和“ALL_DEG.xlsx”两个工作簿，其中“stats”统计了各个比对组别差异代谢物的上、下调情况，“ALL_DEG”汇总了所有比对组别的差异代谢物信息。

A vs B vs C
A vs B
A vs C
B vs C

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	mz	rt	RI	VIP	p.value	FDR
beta-Tocopherol	223.219	19.525	1065021.120	1.277	0.000	0.000
D-Threitol	147.132	9.769	467618.880	1.274	0.000	0.000
Lactitol	204.200	17.828	961831.060	1.277	0.000	0.000
Caffeine	194.171	12.737	649316.310	1.269	0.000	0.000
L-Glutamate	246.250	10.820	531986.440	1.267	0.000	0.000
Hexane-1,2,3,4,5-pentol	219.195	12.161	614013.060	1.271	0.000	0.000
D-Erythrose	117.115	9.415	445937.380	1.304	0.000	0.000
Gallic acid	281.202	13.255	680998.120	1.218	0.000	0.000
Mandelonitrile	190.156	8.642	398822.750	1.274	0.000	0.000
L-Serine	204.219	8.612	396932.190	1.262	0.000	0.000
D-Arabonic acid	103.094	11.805	592239.310	1.254	0.000	0.000
Cysteine	100.082	10.319	501367.660	1.395	0.000	0.000
D-Threonic acid	147.132	10.296	499883.190	1.298	0.000	0.000
L-Rhamnose	117.114	11.496	573359.120	1.241	0.000	0.000
Pentofuranose	103.094	11.226	556729.690	1.329	0.000	0.000
2-Isopropylmalic acid	275.279	10.480	511072.410	1.268	0.000	0.000
D-Glyceric acid	147.131	8.330	379716.060	1.284	0.000	0.000
DL-Valine	144.180	7.501	329393.190	1.251	0.000	0.000
D-myo-Inositol 4-phosphate	318.291	16.011	850084.380	1.225	0.000	0.000
Shikimic acid	204.194	12.205	616811.620	1.260	0.000	0.000
Sphingosine	204.197	16.011	850089.380	1.257	0.000	0.000
Orotic acid	254.214	11.771	590188.000	1.212	0.000	0.000
DL-Glutamine	156.156	11.998	604033.560	1.255	0.000	0.000
Citramalic acid	247.233	9.611	458080.000	1.248	0.000	0.000
N-Acetyl-beta-D-glucosamine	319.300	14.396	750898.560	1.299	0.000	0.000
Methanolphosphate	241.163	6.897	291918.780	1.168	0.000	0.000
DL-Tartaric acid	147.134	10.915	538199.060	1.320	0.000	0.000
D-Ribofuranose	103.092	11.096	549461.440	1.272	0.000	0.000
Oxalic acid	147.133	6.421	262359.970	1.312	0.000	0.000
trans-Cinnamate	131.103	10.355	503522.560	1.198	0.000	0.000
9-Octadecenoic acid	91.084	14.959	785602.940	1.198	0.000	0.000
Glycerophosphoric acid	299.212	11.861	595684.690	1.210	0.000	0.000
alpha-D-Mannose	319.303	14.226	740998.250	1.144	0.000	0.000
Allose	205.202	12.963	663251.750	1.440	0.000	0.000
D-Erythronolactone	147.131	8.784	407422.280	1.237	0.000	0.000
Sialic acid	169.149	16.951	907709.380	1.157	0.000	0.000
(E)-3,4-dihydroxycinnamic acid	219.171	14.444	753836.440	1.265	0.000	0.000
6-o-Phosphonohexose	387.295	16.707	892720.000	1.235	0.000	0.000
D-Glucarate	147.135	13.610	702743.940	1.274	0.000	0.000
Butenedioic acid	245.182	8.553	393318.160	1.278	0.000	0.000
beta-D-Fructose 6-phosphate	315.244	15.365	810393.060	1.219	0.000	0.000
(E)-P-Coumaricacid	219.192	13.214	678497.310	1.095	0.000	0.000
L-Allothreonine	117.118	8.842	410935.340	1.286	0.000	0.000
6-Deoxyglucitol	117.111	11.964	602029.940	1.285	0.000	0.000
3,7-Dimethyl-2,6-octadien-1-ol	93.058	8.694	401923.500	1.294	0.000	0.000
Glyceryl palmitate	371.445	16.945	907318.880	1.192	0.000	0.000
Myo-Inositol	217.204	14.123	733441.120	1.310	0.000	0.000
D-Galactarate	333.283	13.712	708932.940	1.195	0.000	0.000
sn-Glycerol-1-phosphate	211.108	10.702	524708.120	1.144	0.000	0.000
D-Glycero-D-ido-Heptonic acid	143.117	13.883	719757.880	1.220	0.000	0.000
(9Z,12Z,15Z)-Octadecatrienoic acid	95.117	14.956	785350.250	1.199	0.000	0.000
D-2-Galactosamine	159.163	13.117	672325.380	1.269	0.000	0.000
4-Hydroxybenzoic acid	267.215	10.945	539575.250	1.253	0.000	0.000
3-(Acetyloxy)-2-aminopropanoic acid	174.178	8.929	416586.840	1.093	0.000	0.000
6-Deoxy-Hexose	117.116	11.611	580380.500	1.210	0.000	0.000
Uracil, 1-beta-D-ribofuranosyl-	217.207	16.243	864226.560	1.380	0.000	0.000
Xylitol	147.133	11.584	578707.250	1.271	0.000	0.000
Pentitol	103.093	11.382	566439.440	1.296	0.000	0.000
D-Arabitol	103.094	11.394	566864.940	1.296	0.000	0.000
L-Pipecolate	156.190	8.722	403603.160	1.248	0.000	0.000
Chimyl alcohol	117.101	16.323	869368.120	1.269	0.000	0.000
L-Proline	142.167	8.094	365270.910	1.342	0.000	0.000
5-Hydroxynorvaline	142.169	10.252	497159.720	1.241	0.000	0.000
N-Acetylmannosamine	147.136	15.218	801116.750	1.095	0.000	0.000
D-(+)-Cellobiose	259.241	17.275	927897.190	1.231	0.000	0.000
DL-Glutamate	246.283	10.996	542183.620	1.236	0.000	0.001
Aminomalonate	218.205	9.596	457013.530	1.251	0.000	0.001
Salicylate	267.216	9.981	480592.500	1.226	0.000	0.001
L-Gulcono-1,4-lactone	217.215	12.965	663382.880	1.433	0.000	0.001
D-Mannose 6-phosphate	387.297	15.566	822658.620	1.195	0.000	0.001
Butane-1,2,3,4-tetrol	103.091	10.060	485637.310	1.113	0.000	0.001
DL-Aspartic acid	232.228	10.011	482746.120	1.173	0.000	0.001
Citrate	147.130	12.296	622653.500	1.131	0.000	0.001
D-Fucopyranose	117.116	11.604	580045.000	1.256	0.000	0.001
Montanic acid	117.083	19.801	1082105.120	1.410	0.000	0.001
Linoleate	95.116	14.918	782926.190	1.035	0.000	0.001
Hexitol	217.212	13.669	706226.880	1.354	0.001	0.001
Diisopropanolamine	232.226	9.607	457802.470	1.220	0.001	0.002
Phloroglucinol	342.293	11.008	543459.000	1.094	0.001	0.002
D-Xylonolactone	217.207	10.971	541541.750	1.400	0.001	0.002
alpha-d-Xylopyranose	217.212	13.125	673095.060	1.182	0.001	0.003
D-Ribonate	147.134	11.955	601387.250	1.209	0.001	0.003
L-Phenylalanine	218.206	10.928	538677.060	1.337	0.001	0.003
6-Hydroxyhexanoic acid	85.123	9.076	425213.000	1.147	0.001	0.003
Heptadecanoic acid	117.084	14.501	756826.500	1.039	0.001	0.003
Sucrose	217.203	17.166	920475.620	1.249	0.002	0.003
Phytol,mixture of isomers	143.153	14.672	767814.120	1.198	0.002	0.004
Salicylaldehyde	193.156	8.628	397941.750	1.383	0.002	0.004
L-Isoleucine	158.207	8.018	360701.810	1.360	0.002	0.005
Docosane	85.123	15.877	841601.190	1.117	0.002	0.005
Serine	116.100	7.721	342600.440	1.164	0.002	0.005
d-Glycero-d-galacto-heptose	217.208	14.532	759377.560	1.115	0.003	0.005
Glycine	174.193	8.159	369284.690	1.310	0.003	0.006
1,5-Anhydrohexitol	129.103	11.458	570971.380	1.363	0.003	0.006
D-Lyxose	217.209	10.907	537193.310	1.127	0.003	0.006
alpha-D-Mannose 1-phosphate	204.196	16.013	850124.500	1.177	0.004	0.008
Phenylethyl alcohol	103.092	7.461	326917.030	1.228	0.004	0.008
2-Hydroxy-3-isopropylsuccinic acid	147.134	10.468	510741.810	1.057	0.004	0.008
Succinate semialdehyde	89.071	6.969	296403.280	1.125	0.005	0.010
Nicotinic acid	180.130	8.114	366527.090	1.323	0.005	0.010
L-Gulonolactone	361.316	14.537	759789.940	1.152	0.006	0.012
Phosphoenolpyruvate	147.130	5.978	234917.920	1.024	0.006	0.012
N1-Methyladenosine	259.237	15.830	838964.750	1.327	0.007	0.013
L-Threonine	117.118	8.056	363049.000	1.105	0.008	0.014
(+)-Mannoheptulose	204.201	13.067	669636.880	1.118	0.008	0.014
1-Amino-2-propanol	174.191	8.250	374832.280	1.012	0.008	0.015
D-Glucosone	234.222	9.646	460175.590	1.161	0.009	0.016
2-Methylmaleic acid	147.129	8.557	393571.380	1.307	0.009	0.016
Ribono-gamma-lactone	117.099	11.307	562097.440	1.302	0.010	0.017
Methylamine	171.155	4.690	154968.380	1.251	0.010	0.017
Salicyl alcohol	179.151	9.321	440309.310	1.060	0.011	0.019
Pentadecanoic acid	117.082	13.262	681028.000	1.033	0.012	0.020
Glycerol	147.129	7.798	347267.250	1.034	0.014	0.022
Threonate	147.133	10.263	498050.690	1.168	0.014	0.023
Putrescine	174.190	11.767	589865.500	1.201	0.016	0.026
Docosanoic acid	117.084	17.256	925888.250	1.218	0.018	0.028
Octadecanoic acid	117.082	15.096	793801.560	1.214	0.019	0.030
Uridine	217.206	16.158	859062.750	1.145	0.022	0.034
Tetradecanoic acid	117.081	12.568	639134.120	1.189	0.025	0.039
Galactinol	204.196	18.780	1019627.310	1.134	0.027	0.041
Thymine	97.128	9.007	421005.470	1.218	0.028	0.042
3-Hydroxyaspartic acid	218.208	10.923	537517.690	1.156	0.030	0.044
Hexadecanoic acid	117.082	13.888	719900.500	1.060	0.030	0.044
1-Ethylnaphthalene	117.086	14.952	785005.190	1.216	0.033	0.048
3-Methyl-2-oxovalerate	89.068	6.897	292217.470	1.199	0.035	0.051
Erythronic acid lactone	117.115	10.637	520882.380	1.010	0.036	0.051
Hexacosane	85.121	16.991	910192.750	1.052	0.042	0.059
(+)-Catechin	368.315	18.405	996823.310	1.052	0.048	0.068

RI：保留指数；mz: 质核比；Rt(min)：保留时间(以分钟为单位)；*_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

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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

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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

以下为差异待鉴定代谢物统计结果：

图：差异代谢物统计柱状图

代谢物上下调关系

updownstats.csv