#ID	name	JD2a	JD2b	JD2c	JD2d	JD2e	JD2f	KLDD2a	KLDD2b	KLDD2c	KLDD2d	KLDD2e	KLDD2f	JD_Mean	KLD-D_Mean	Fold_change	log2FC	P-value of t test	VIP	regulated
pos_1	DL-p-Hydroxyphenyllactic acid	0.000268734	0.000192425	0.000155224	0.000131019	0.000278244	0.000247328	0.000241341	0.000231245	0.000196743	0.000252354	0.000189137	0.000642867	0.000212162	0.000292281	1.37762972	0.462188172	0.326096541	0.449460056	unchanged
pos_2	2-Chloro-L-phenylalanine	0.000131238	8.15E-05	5.38E-05	6.66E-05	0.000108456	0.00012736	0.000197006	6.87E-05	0.000117328	0.00018528	0.000129782	0.000765666	9.48E-05	0.000243967	2.573002979	1.363453127	0.220081149	0.574980649	unchanged
pos_3	Guanine	1.23E-05	8.23E-06	3.78E-06	4.93E-06	1.05E-05	1.31E-05	0	1.05E-06	0	8.19E-07	0	0	8.81E-06	3.12E-07	0.035421001	-4.819251195	0.002758012	1.289146138	down
pos_4	12-Hydroxydodecanoic acid	4.62E-05	5.08E-05	3.92E-05	5.69E-05	4.19E-05	5.66E-05	9.79E-05	0.000104249	7.43E-05	9.21E-05	6.46E-05	8.95E-05	4.86E-05	8.71E-05	1.792426174	0.841913699	0.000641716	1.322069256	up
pos_5	Mevalonic acid	5.26E-05	0.000210406	0.000299479	0.000160793	0.000385246	4.69E-05	0.000545013	0.001511995	0.000181172	0.000120137	0.001006601	0.000499654	0.00019257	0.000644095	3.344729796	1.741889668	0.092552835	0.817652692	unchanged
pos_6	Decanoic acid	5.30E-06	5.14E-06	5.47E-06	6.59E-06	4.41E-06	7.99E-06	2.14E-05	1.16E-05	1.02E-05	1.30E-05	1.24E-05	1.26E-05	5.82E-06	1.35E-05	2.32592723	1.217805961	0.004005238	1.22809941	up
pos_7	"(6,9,12)-Linolenic acid"	2.29E-05	7.77E-06	6.40E-06	5.58E-06	2.09E-05	1.52E-05	5.67E-07	3.97E-06	8.93E-06	0	3.48E-06	1.55E-06	1.31E-05	3.08E-06	0.234918936	-2.089765089	0.02192257	1.037123357	down
pos_8	6-(METHYLTHIO)PURINE	0.000731538	0.000303666	0.000770619	0.000357074	0.00092104	0.001002494	0.00049009	0.000614047	0.000312911	0.000399123	0.000312932	0.000345216	0.000681072	0.000412387	0.605496434	-0.723809631	0.075698297	0.787302954	unchanged
pos_9	Adipic acid	2.80E-06	1.76E-06	2.04E-06	1.70E-06	3.96E-06	1.68E-06	0	2.56E-06	9.27E-07	3.40E-06	2.04E-06	1.84E-06	2.32E-06	1.79E-06	0.772075811	-0.373185581	0.409989911	0.431742838	unchanged
pos_10	Maslinic Acid	0.001270931	1.31E-05	0.007112998	2.86E-06	0.00010851	0.000162017	0.010973938	7.87E-05	0.009780021	8.71E-06	3.14E-05	1.24E-05	0.001445063	0.003480865	2.408798389	1.268313649	0.435101047	0.418297405	unchanged
pos_11	"2,3-dihydrobenzofuran"	0.0036438	0.001039978	0.011017075	0.001601815	0.004580969	0.002497379	0.000331301	0.000216083	0.000696558	0.000103392	0.000144724	0.000177041	0.004063503	0.000278183	0.06845895	-3.868617016	0.051627523	0.901697768	unchanged
pos_12	Benzylformate	0.002215978	0.000906449	0.01064372	0.001294918	0.00396333	0.00166258	0.000407735	0.000345895	0.000726659	0.000148788	0.000215545	0.000184577	0.003447829	0.0003382	0.09809069	-3.349739978	0.093537937	0.778457125	unchanged
pos_13	o-Xylene	0.000124423	0.000103158	9.27E-05	0.000103342	0.000134737	0.00012359	8.91E-05	0.000118318	8.61E-05	9.68E-05	0.000107789	0.000128474	0.000113663	0.000104439	0.918848608	-0.122100916	0.355836411	0.459010575	unchanged
pos_14	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]	0.000670572	0.00027048	0.000395798	0.000233905	0.000551613	0.000476625	0.000285352	0.00024252	0.000290197	0.000175963	0.000194103	0.000274189	0.000433165	0.000243721	0.562650586	-0.829688829	0.0382979	0.968444464	unchanged
pos_15	4-Hydroxybenzaldehyde	0.001574349	0.001117743	0.002292323	0.001550349	0.002253353	0.001667717	0.001707008	0.002444065	0.002247804	0.002273666	0.001835165	0.001234943	0.001742639	0.001957108	1.123071619	0.167449932	0.430558979	0.410214203	unchanged
pos_16	Salicylaldehyde	0.000827608	0.000532897	0.000915019	0.000964819	0.001267086	0.001113385	0.000719279	0.000603998	0.000685571	0.001033225	0.000861842	0.000413638	0.000936803	0.000719592	0.768136297	-0.380565772	0.138427959	0.672187354	unchanged
pos_17	Choline	0.001198603	0.000859866	0.000334164	0.000795346	0.001397752	0.000960198	0.001490668	0.001494505	0.002119225	0.001376983	0.002325085	0.004211176	0.000924322	0.002169607	2.347242655	1.230966994	0.034988576	0.921726787	unchanged
pos_18	MG(18:1(9Z)/0:0/0:0)[rac]	6.69E-06	6.48E-06	2.74E-06	5.80E-06	8.20E-06	5.07E-06	0.000102114	0.000119483	9.56E-05	5.96E-05	8.79E-05	9.31E-05	5.83E-06	9.30E-05	15.95055959	3.995535134	0.000105757	1.43120336	up
pos_19	METHYL ORSELLINATE	0.023487415	0.017623003	0.031942843	0.034162042	0.042059248	0.036952567	0.027983716	0.024377959	0.031539529	0.0465636	0.03414322	0.019128559	0.031037853	0.030622764	0.986626351	-0.019424275	0.939364039	0.035772482	unchanged
pos_20	Eschscholtzxanthin	1.95E-05	5.68E-05	3.55E-05	9.01E-05	6.96E-05	0.000116262	0.000202773	0.000225275	0.000161404	0.000193112	0.000159481	0.000185269	6.46E-05	0.000187886	2.906901973	1.539482421	6.68E-05	1.372861098	up
pos_21	"N,N-dimethyl-Safingol"	0.00238136	0.00191099	0.003683379	0.002476456	0.003327023	0.00292947	0.004556538	0.005186624	0.006111301	0.006078649	0.004955467	0.007065682	0.00278478	0.005659043	2.032133178	1.022994953	0.000158105	1.315910256	up
pos_22	m-Methylbenzoate	0.001951572	0.001223972	0.009556128	0.001280058	0.003583431	0.001610583	0.000446587	0.000308826	0.000777246	0.000231925	0.000275436	0.000282494	0.003200957	0.000387086	0.120928143	-3.047778064	0.086133551	0.796231851	unchanged
pos_23	Piperonal	0.009175659	0.006657151	0.013104218	0.015746316	0.019279479	0.016882615	0.009570252	0.007439516	0.010392233	0.01624358	0.011907912	0.006005306	0.01347424	0.0102598	0.761438137	-0.393201265	0.221718737	0.555226781	unchanged
pos_24	"DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]"	0.000869848	0.000175567	0.000269943	0.000175103	0.000183397	0.000122962	0.000298052	0.000549097	0.000582854	0.000908049	0.000618105	0.0008432	0.00029947	0.000633226	2.114490558	1.080310118	0.047408318	0.799548631	unchanged
pos_25	Elenaic acid	0.002218223	0.001396668	0.003354817	0.002404745	0.003871964	0.002480866	0.000592967	0.000679183	0.000961293	0.001343253	0.00084987	0.000454494	0.002621214	0.00081351	0.310356142	-1.688003398	0.002769382	1.217853939	down
pos_26	"2E,9-Decadienal"	2.17E-05	4.10E-05	2.69E-05	2.08E-05	2.06E-05	9.05E-05	3.69E-05	5.55E-05	0.000108819	5.06E-05	3.41E-05	8.19E-05	3.69E-05	6.13E-05	1.660981478	0.732035985	0.16418556	0.653275426	unchanged
pos_27	p-Xylene	3.62E-05	1.26E-05	1.29E-05	1.57E-05	2.52E-05	2.11E-05	2.53E-05	2.30E-05	1.57E-05	1.22E-05	1.09E-05	3.23E-05	2.06E-05	1.99E-05	0.965675791	-0.050389185	0.891063948	0.068651418	unchanged
pos_28	Gentisyl alcohol	3.80E-05	1.98E-05	2.85E-05	2.23E-05	3.90E-05	2.94E-05	2.83E-05	3.24E-05	3.70E-05	4.16E-05	3.78E-05	2.00E-05	2.95E-05	3.28E-05	1.1126937	0.154056505	0.478852341	0.290621178	unchanged
pos_29	"1,4-Ipomeadiol"	0.001211715	0.000693523	0.000862753	0.00061679	0.001155986	0.001066867	0.001175187	0.001220693	0.001042142	0.001402889	0.001362268	0.001340029	0.000934606	0.001257201	1.345167692	0.427786034	0.024198988	0.928008348	unchanged
pos_30	p-Tolualdehyde	0.000154596	5.87E-05	0.000219482	6.97E-05	0.000144567	0.000108403	0.000113157	7.46E-05	0.000110136	5.08E-05	7.80E-05	5.53E-05	0.000125908	8.03E-05	0.638119387	-0.648101728	0.132576916	0.680880562	unchanged
pos_31	"METHYLORSELLINIC ACID, ETHYL ESTER"	0.000175272	7.38E-05	0.000131835	7.95E-05	0.000152541	0.000171739	5.36E-05	4.57E-05	4.13E-05	5.57E-05	2.80E-05	4.01E-05	0.000130778	4.41E-05	0.33683188	-1.569899402	0.004447422	1.220695612	down
pos_32	4-Propylphenol	5.91E-06	2.98E-06	3.57E-06	3.08E-06	9.05E-06	6.66E-06	1.95E-06	6.94E-06	3.63E-06	2.80E-06	5.29E-06	4.63E-06	5.21E-06	4.20E-06	0.807181493	-0.309034998	0.436783017	0.377751917	unchanged
pos_33	Genipin	0.002071157	0.001547157	0.002059798	0.001841611	0.002358276	0.00228208	0.001562397	0.001576788	0.00148379	0.002107276	0.001465626	0.001877595	0.00202668	0.001678912	0.828405171	-0.271591535	0.056050176	0.835434348	unchanged
pos_34	"2,6-nonadienal"	9.85E-06	7.19E-06	7.98E-06	9.38E-06	9.27E-06	1.20E-05	1.45E-05	1.26E-05	1.56E-05	1.34E-05	1.18E-05	1.85E-05	9.28E-06	1.44E-05	1.551509559	0.633672586	0.002078933	1.19610844	up
pos_35	"trans,trans-hepta-2,4,6-trienoic acid"	0.0001592	4.92E-05	0.000152392	5.12E-05	0.00014719	7.41E-05	0.00024461	0.000565362	0.00038482	0.000196989	0.000279782	0.000177804	0.000105542	0.000308228	2.920433151	1.546182362	0.017371067	1.079838967	up
pos_36	N-Acetylvanilalanine	0.001261925	0.002544422	0.000537935	0.002220269	0.00098848	0.002596685	0.001855176	0.001439647	0.001521445	0.000980981	0.002295515	0.001615002	0.001691619	0.001617961	0.956456825	-0.064228248	0.858843167	0.096507155	unchanged
pos_37	Aspirin	0.000527035	0.000285879	0.001066491	0.000330812	0.000745699	0.000552666	0.000231899	0.000280983	0.000278793	0.000237601	0.000161414	0.000229849	0.000584764	0.000236757	0.404875778	-1.304448758	0.031245112	0.973733481	unchanged
pos_38	CANTHARIDIN	0.005772113	0.004356834	0.003779628	0.004083957	0.005845756	0.005224025	0.007156179	0.007354522	0.005898015	0.007836185	0.006500471	0.008885575	0.004843719	0.007271825	1.501289581	0.586202283	0.001547416	1.172997537	up
pos_39	"3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene"	3.86E-06	7.32E-07	5.74E-05	2.71E-07	2.16E-07	6.45E-07	8.86E-05	7.22E-07	7.82E-05	1.42E-06	1.02E-06	8.59E-07	1.05E-05	2.85E-05	2.706404636	1.436377553	0.391988523	0.455048149	unchanged
pos_40	"3,4-Methylenedioxybenzoic acid"	4.97E-05	2.14E-05	0.000129832	2.11E-05	7.72E-05	4.82E-05	2.93E-06	1.00E-05	1.02E-05	2.97E-06	1.29E-06	6.60E-06	5.79E-05	5.67E-06	0.09786464	-3.353068507	0.025956699	1.012873409	down
pos_41	2-Phenylethyl formate	0.000965627	0.00057508	0.000813265	0.000896712	0.001209748	0.001270048	0.000631562	0.000478539	0.000588692	0.001041935	0.000612916	0.000682279	0.00095508	0.000672654	0.704290342	-0.505757796	0.059347958	0.839969257	unchanged
pos_42	(R)-(-)-Mellein	0.001085573	0.00066512	0.000919149	0.000913044	0.001219706	0.001224124	0.000894997	0.000574749	0.000763215	0.000972538	0.000763467	0.001240017	0.001004453	0.000868164	0.864315477	-0.2103701	0.311333857	0.489712232	unchanged
pos_43	4-Ethyl-2-methoxyphenol	9.00E-05	3.39E-05	2.22E-05	3.13E-05	4.14E-05	4.23E-05	0.000179537	0.000275377	0.000134315	0.000181419	0.000210854	0.00023965	4.35E-05	0.000203526	4.67841035	2.226018408	0.000169921	1.340881458	up
pos_44	Benzoic acid	0.001559728	0.00113771	0.00246024	0.001614943	0.002051216	0.001640157	0.001892538	0.002621842	0.002354845	0.001986885	0.001871717	0.001211058	0.001743999	0.001989814	1.140949244	0.190234614	0.385331505	0.464766514	unchanged
pos_45	"3',4'-(Methylenedioxy)acetophenone"	0.03009371	0.026760805	0.061163475	0.038125441	0.046087494	0.040152714	0.013360409	0.015639765	0.021246806	0.016756804	0.012752548	0.010931485	0.040397273	0.015114636	0.374149911	-1.418311663	0.003141278	1.200032302	down
pos_46	"3,4-Dihydrocadalene"	5.68E-06	5.54E-07	3.60E-05	6.14E-07	1.43E-06	1.22E-06	6.48E-05	9.95E-07	5.09E-05	5.05E-07	2.29E-07	1.29E-06	7.59E-06	1.98E-05	2.608402247	1.383166368	0.394274378	0.454457488	unchanged
pos_47	Cinnamaldehyde	0.000468867	0.000445253	0.000413031	0.000432863	0.000559097	0.000628997	0.000326495	0.000366983	0.000320463	0.000336079	0.00042171	0.000392686	0.000491351	0.000360736	0.734171115	-0.44581174	0.010802483	1.095873763	down
pos_48	Ethylbenzene	5.18E-05	1.04E-05	2.04E-05	1.39E-05	4.40E-05	3.42E-05	3.74E-05	3.54E-05	3.25E-05	5.41E-05	5.52E-05	3.30E-05	2.91E-05	4.13E-05	1.41698327	0.502822725	0.171014973	0.565044228	unchanged
pos_49	Phosphocholine	0.002023571	0.001716607	0.00171327	0.001304216	0.001099912	0.000835305	0.000958937	0.000714653	0.000636541	0.000523085	0.000442595	0.000502083	0.001448813	0.000629649	0.434596454	-1.202251691	0.004665666	1.178229962	down
pos_50	ETHYL EVERNINATE	2.09E-05	0	9.19E-07	0	4.90E-06	4.68E-06	1.72E-07	5.37E-08	3.72E-09	5.87E-08	6.53E-08	1.10E-06	5.23E-06	2.43E-07	0.046461934	-4.427806984	0.186561133	0.693259614	unchanged
pos_51	Dihydrocoumarin	0.0002845	0.000186723	0.000280257	0.000237258	0.000339886	0.000318943	0.00028974	0.000370641	0.000315461	0.000334143	0.000299868	0.000277817	0.000274594	0.000314612	1.145731769	0.19626933	0.169408471	0.658684884	unchanged
pos_52	2-Phenylethanol	7.32E-05	4.48E-05	5.12E-05	4.34E-05	6.69E-05	6.44E-05	7.28E-05	7.61E-05	6.39E-05	5.98E-05	5.72E-05	9.84E-05	5.73E-05	7.14E-05	1.245369415	0.316573753	0.111085848	0.714721552	unchanged
pos_53	"trans-1,2-Dihydrobenzene-1,2-diol"	3.87E-06	4.00E-06	1.13E-05	8.72E-06	7.39E-06	7.03E-06	1.47E-05	2.18E-05	1.48E-05	1.33E-05	1.22E-05	4.29E-06	7.06E-06	1.35E-05	1.915496932	0.937718715	0.038567821	0.978464955	unchanged
pos_54	3-Methoxy-4-hydroxyphenylethylene glycol	0.002487916	0.000810266	0.002876714	0.000912002	0.00248266	0.000834529	0.005163746	0.012521387	0.008881578	0.004636739	0.006094857	0.002460932	0.001734015	0.00662654	3.821501797	1.934139709	0.018768376	1.086868334	up
pos_55	Quinic acid	0.002227183	0.002181559	0.001328304	0.002099308	0.002491796	0.002665868	0.003307985	0.00336502	0.002667377	0.002757708	0.003132771	0.003488422	0.002165669	0.003119881	1.440607898	0.526677718	0.002629136	1.162994532	up
pos_56	Sinensetin	0.001918053	0.001829528	0.001618003	0.002087358	0.001778039	0.002163952	0.003142273	0.002627193	0.002599457	0.003365412	0.002270425	0.003352326	0.001899155	0.002892847	1.5232285	0.607132377	0.001880095	1.24536937	up
pos_57	Oleoyl Ethanolamide	0.000113132	0.000190041	0.000116677	0.000245245	0.000154611	0.000178475	0.000446425	0.000365157	0.000463981	0.000499406	0.000478578	0.000669873	0.000166363	0.000487237	2.928749739	1.55028492	0.000173873	1.331983993	up
pos_58	Sinapyl alcohol	0.003044731	0.001924391	0.002788655	0.002982433	0.003842496	0.004142426	0.002038874	0.001403249	0.001787442	0.003587744	0.001837954	0.002237638	0.003120855	0.002148817	0.688534629	-0.53839888	0.054969659	0.843806448	unchanged
pos_59	"4-Ethyl-1,2-dimethoxybenzene"	1.96E-05	5.85E-06	2.48E-05	1.24E-05	2.91E-05	3.01E-05	0	0	9.05E-07	0	0	0	2.03E-05	1.51E-07	0.007422405	-7.073897627	0.003676174	1.242603522	down
pos_60	Crotamiton	0.000102303	0.000100166	0.000110625	0.000123343	0.000124647	0.000127638	0.00018832	0.000171575	0.000167716	0.000162118	0.00015026	0.00019176	0.000114787	0.000171958	1.498063351	0.583098635	4.92E-05	1.375297269	up
pos_61	"2,5-Dimethylbenzaldehyde"	0.000326805	0.000367133	0.00029598	0.000395096	0.000427489	0.000396388	0.000154862	0.000174682	0.000132595	0.0001673	0.000166832	0.000189711	0.000368149	0.00016433	0.446369645	-1.163689173	4.70E-05	1.395910537	down
pos_62	Maltol propionate	0.002959679	0.00281482	0.006889189	0.004803143	0.004482484	0.004517629	0.008173046	0.012003695	0.008031201	0.007523144	0.006929702	0.003586962	0.004411157	0.007707958	1.747377773	0.805191544	0.031262894	1.003385752	up
pos_63	Furapiole	0.000331851	0.000239641	0.000644106	0.000403759	0.000430603	0.000485792	0.000123262	0.000186495	0.000182237	0.000175223	0.000146403	0.000128988	0.000422625	0.000157101	0.371727562	-1.427682434	0.004710486	1.182747071	down
pos_64	Benzyl alcohol	0.000186441	0.000209738	0.00010007	0.00017465	0.000210605	0.000201111	3.91E-05	5.76E-05	6.75E-05	8.18E-05	6.39E-05	9.49E-05	0.000180436	6.75E-05	0.373954804	-1.419064179	0.000521517	1.328409178	down
pos_65	Glucocerebrosides	0.009682621	0.00841446	0.007978176	0.011949894	0.010421418	0.014831975	0.016441938	0.013004327	0.018349553	0.019827494	0.013868277	0.025557962	0.010546424	0.017841592	1.691719561	0.758490431	0.009534288	1.07885655	up
pos_66	PC(18:1(9E)/0:0)[U]	0.000938978	0.000562132	0.001020597	0.000556868	0.001291099	0.001082939	0.001118743	0.001160267	0.001329095	0.00087023	0.001318548	0.001768383	0.000908769	0.001260878	1.387457232	0.472443301	0.067168051	0.793659682	unchanged
pos_67	Eicosanoyl-EA	0.000894608	0.000742271	0.001086918	0.000861487	0.001046214	0.001047063	0.001594747	0.001434182	0.001594695	0.001609771	0.00123213	0.001836917	0.000946427	0.001550407	1.638168717	0.71208395	0.000207511	1.326037141	up
pos_68	Benzoquinoneacetic acid	0.000685277	0.000260322	0.000438726	0.00025563	0.000680366	0.000916448	0.00054642	0.000504709	0.000395113	0.000793045	0.000405193	0.000752627	0.000539461	0.000566185	1.049536652	0.069752549	0.840465634	0.082089984	unchanged
pos_69	"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone"	0.010078342	0.007711395	0.035535106	0.012808208	0.014466271	0.011627146	0.002528018	0.0036947	0.004051632	0.001948595	0.002024939	0.001511051	0.015371078	0.002626489	0.170872146	-2.549010856	0.027330828	0.99019277	unchanged
pos_70	HERNIARIN	0.000240323	0.000182358	0.000262309	0.000233343	0.000307873	0.000299593	0.00018014	0.000182321	0.000179511	0.000214632	0.000196508	0.000185569	0.0002543	0.00018978	0.746284708	-0.422201971	0.017783966	1.052166667	down
pos_71	alpha-Methylstyrene	0.000227513	0.000279723	0.000224962	0.000307294	0.000225106	0.000272609	0.000399054	0.000377133	0.000295239	0.000405738	0.000249144	0.000370611	0.000256201	0.000349486	1.364108944	0.447958869	0.013606184	1.084984119	up
pos_72	"4-Methyl-3Z,5-hexadienoic acid"	5.64E-06	6.57E-06	9.65E-07	1.95E-06	3.82E-06	4.37E-06	0	0	0	9.06E-07	0	0	3.89E-06	1.51E-07	0.038856756	-4.68569071	0.007320551	1.220241755	down
pos_73	"9Z,13-Tetradecadien-11-ynal"	4.09E-05	5.30E-06	0.000168058	4.32E-06	4.12E-06	7.48E-06	0.000268727	8.64E-06	0.000229835	7.59E-06	7.96E-06	9.75E-06	3.84E-05	8.88E-05	2.313245789	1.209918565	0.40816802	0.438812929	unchanged
pos_74	2-Isopropylfuran	8.88E-05	4.13E-05	2.24E-05	2.42E-05	4.57E-05	4.19E-05	0.000166702	0.000218929	0.000113592	0.000154222	0.000179383	0.000230856	4.40E-05	0.000177281	4.024895703	2.008951399	0.000185058	1.318041218	up
pos_75	Styrene	0.000112123	4.26E-05	0.000120279	3.87E-05	0.000103448	0.00011396	2.09E-05	2.28E-05	1.93E-05	2.10E-05	1.66E-05	1.95E-05	8.85E-05	2.00E-05	0.226186482	-2.144415387	0.006489753	1.202565861	down
pos_76	"1-Methyl-1,3-cyclohexadiene"	8.86E-05	6.60E-05	6.45E-05	7.63E-05	0.000107856	9.20E-05	0.000122193	0.000129566	0.000103726	0.000155832	0.000115729	0.000139667	8.26E-05	0.000127786	1.547843633	0.630259734	0.001249684	1.190140387	up
pos_77	CITROPTEN	0.001222581	0.001181596	0.002094423	0.001594081	0.001743989	0.001799309	0.000776683	0.001008629	0.000992014	0.00075558	0.000696633	0.000628841	0.001605996	0.00080973	0.504191661	-0.987955838	0.001542181	1.204655028	down
pos_78	Cytosine	0.000590044	0.000572725	0.000344174	0.000340982	0.000738675	0.000519696	0.000468712	0.000565305	0.000725089	0.000748586	0.00081466	0.001471082	0.000517716	0.000798906	1.543135552	0.625864796	0.117983931	0.673920526	unchanged
pos_79	"trans,trans-Farnesol"	5.80E-05	0.000111264	7.05E-05	6.03E-05	5.56E-05	0.000243177	9.30E-05	0.000149465	0.000298662	0.000133027	8.63E-05	0.000213288	9.98E-05	0.000162291	1.62573376	0.701091012	0.191622214	0.619707418	unchanged
pos_80	"DL-3,4-Dihydroxymandelic acid"	0.000821781	0.000445654	0.001017262	0.000621091	0.001105634	0.001129026	0.001126134	0.001245697	0.000956009	0.00131205	0.000841846	0.001082235	0.000856741	0.001093995	1.276925411	0.352674256	0.11358018	0.75583025	unchanged
pos_81	Eschscholtzxanthone	3.00E-05	6.95E-05	2.15E-05	9.57E-05	5.29E-05	0.000104315	0.00037236	0.000374477	0.000242538	0.000228563	0.000207303	0.000317358	6.23E-05	0.000290433	4.661430647	2.220772803	0.000242414	1.373932091	up
pos_82	Gingerglycolipid C	4.87E-05	9.38E-05	5.04E-05	7.39E-05	6.18E-05	4.77E-05	0.00128449	0.001201016	0.001050944	0.000817849	0.000805651	0.001290521	6.27E-05	0.001075078	17.14740615	4.099918455	9.29E-05	1.436379532	up
pos_83	"5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizine"	7.76E-06	6.80E-06	4.48E-08	3.47E-06	2.07E-06	3.37E-06	1.08E-05	8.57E-06	3.24E-06	2.12E-05	1.49E-05	3.38E-05	3.92E-06	1.54E-05	3.92918872	1.974231462	0.04830583	0.870834421	unchanged
pos_84	"DG(18:3(6Z,9Z,12Z)/16:0/0:0)"	0.001137442	0.001099847	0.00129804	0.001076341	0.002023125	0.001994842	0.003742753	0.001853642	0.002131226	0.001311439	0.001804976	0.001356652	0.001438273	0.002033448	1.413812261	0.499590558	0.186228114	0.660688745	unchanged
pos_85	"2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate"	0.003101934	0.001168676	0.004546493	0.004800601	0.008417428	0.005640405	0.002589487	0.001910626	0.002175914	0.003585084	0.002406116	0.001737345	0.00461259	0.002400762	0.520480259	-0.94208465	0.077763288	0.808095375	unchanged
pos_86	1-Ipomeanol	0.001309691	0.000824924	0.000789123	0.000717788	0.000929242	0.001051931	0.001820996	0.001770409	0.001387601	0.001800626	0.001315953	0.002536124	0.000937117	0.001771952	1.890855079	0.919038795	0.003562523	1.173102341	up
pos_87	alpha-Vetivone	0.00100726	0.000919733	0.000979549	0.000953838	0.001129594	0.001081121	0.001908817	0.001707365	0.001668271	0.001504447	0.001502089	0.001913126	0.001011849	0.001700686	1.680770052	0.749122362	7.40E-05	1.39784832	up
pos_88	dehydrocholic acid	2.74E-05	6.79E-06	1.40E-05	2.90E-05	5.12E-05	4.41E-05	8.56E-05	6.89E-05	3.59E-05	5.73E-05	4.08E-05	7.81E-05	2.87E-05	6.11E-05	2.125872465	1.088055049	0.013443423	1.048282267	up
pos_89	Damascenine	0.004858857	0.005420307	0.003172912	0.003810714	0.004172532	0.005053031	0.007891554	0.00899592	0.009349092	0.011146129	0.010003776	0.008610563	0.004414726	0.009332839	2.114024709	1.079992239	1.14E-05	1.353283923	up
pos_90	Gly Glu Gly Phe	0.005228501	0.004370339	0.003933607	0.0043524	0.005161528	0.005143979	0.00649482	0.006740053	0.005361995	0.009149475	0.005792966	0.006992748	0.004698392	0.006755343	1.43779879	0.523861794	0.010473235	1.080160001	up
pos_91	4-Hydroxy-3-methoxyphenethyl alcohol	0.009047607	0.006442332	0.00599981	0.00650068	0.00953762	0.008488159	0.011452851	0.011710062	0.00916578	0.012828161	0.010000872	0.01334913	0.007669368	0.011417809	1.488754871	0.574106229	0.002024376	1.157954632	up
pos_92	"1,2-Dihydro-1,1,6-trimethylnaphthalene"	2.82E-06	3.00E-06	3.10E-06	2.70E-06	4.19E-06	2.16E-06	3.43E-06	5.44E-06	6.04E-06	5.30E-06	6.42E-06	6.13E-06	3.00E-06	5.46E-06	1.822321624	0.865777605	0.001300868	1.194951732	up
pos_93	Tetralin	7.24E-06	2.40E-06	2.77E-05	2.47E-06	3.76E-06	3.62E-06	4.48E-05	3.17E-06	4.21E-05	3.95E-06	3.27E-06	3.75E-06	7.86E-06	1.68E-05	2.142919799	1.099577857	0.367261007	0.474085845	unchanged
pos_94	Anisole	0.000167412	0.00010715	0.000115779	0.000100959	0.000137862	0.000143043	0.000250422	0.000246682	0.000212125	0.000273096	0.000213476	0.000312104	0.000128701	0.000251318	1.952729833	0.965492361	0.000114702	1.319325853	up
pos_95	3-Hydroxy-4-methoxybenzoic acid	4.62E-05	1.44E-05	7.23E-05	7.24E-05	0.000127858	9.15E-05	1.99E-05	1.73E-05	2.78E-05	4.64E-05	2.76E-05	1.14E-05	7.08E-05	2.51E-05	0.354152608	-1.497556928	0.032830842	0.953680936	unchanged
pos_96	ANETHOLE	1.52E-05	2.43E-06	9.59E-06	3.20E-06	1.17E-05	1.04E-05	4.27E-06	5.88E-06	5.82E-06	3.85E-06	3.85E-06	1.47E-06	8.76E-06	4.19E-06	0.478356038	-1.063843285	0.076600606	0.83510747	unchanged
pos_97	"1,3-Octadiene"	1.32E-06	2.60E-06	1.45E-06	6.97E-07	1.02E-06	7.15E-06	4.99E-07	3.13E-06	7.42E-06	2.78E-06	1.49E-06	4.59E-06	2.37E-06	3.32E-06	1.397962047	0.483325194	0.517809173	0.320160906	unchanged
pos_98	"(2E,6Z)-nona-2,6-dienal"	7.33E-06	6.92E-06	6.98E-06	8.03E-06	7.37E-06	1.07E-05	1.84E-05	1.30E-05	1.58E-05	1.24E-05	1.43E-05	1.39E-05	7.88E-06	1.46E-05	1.855648584	0.891923524	0.000166604	1.336172467	up
pos_99	"9,12,15-Octadecatrien-1-ol"	4.85E-06	1.01E-05	8.30E-06	5.93E-06	6.25E-06	2.53E-05	8.63E-06	1.63E-05	3.37E-05	1.51E-05	1.09E-05	2.46E-05	1.01E-05	1.82E-05	1.797890035	0.846304783	0.134566499	0.69576456	unchanged
pos_100	"3,6,8-dodecatrien-1-ol"	0.000166501	0.000170984	0.000177072	0.000195946	0.000205646	0.000303944	0.000372606	0.000327405	0.000628029	0.000403673	0.00038786	0.000594788	0.000203349	0.000452394	2.224718019	1.153622487	0.003309096	1.202546287	up
pos_101	"4E,8-Nonadienal"	4.25E-06	3.71E-06	3.96E-06	5.08E-06	4.30E-06	4.84E-06	6.41E-06	6.62E-06	8.24E-06	6.05E-06	6.09E-06	7.73E-06	4.36E-06	6.86E-06	1.574106017	0.65453271	0.000399941	1.313939049	up
pos_102	p-Anisaldehyde	0.009795614	0.007976037	0.009055067	0.009314536	0.013940385	0.010171003	0.003221078	0.005446831	0.005416354	0.006140042	0.00534593	0.00399876	0.010042107	0.004928166	0.490750188	-1.026939276	0.000770205	1.278871155	down
pos_103	Xanthorrhizol	0.00072185	0.000670914	0.000722735	0.000726828	0.000774522	0.000779211	0.001344707	0.001198275	0.001185505	0.001072189	0.001045308	0.001276702	0.000732677	0.001187114	1.620243332	0.696210496	8.12E-05	1.415453341	up
pos_104	"2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one"	0.000858233	0.000354773	0.002467073	0.000492114	0.001364725	0.00062309	0.000183021	0.000124343	0.000329432	4.28E-05	7.99E-05	7.63E-05	0.001026668	0.0001393	0.135681962	-2.881699159	0.039863983	0.940045405	unchanged
pos_105	Methyl sorbate	1.33E-06	6.95E-07	7.77E-07	1.07E-06	1.79E-06	7.22E-07	3.30E-06	4.20E-06	1.32E-06	4.27E-06	3.75E-06	3.33E-06	1.06E-06	3.36E-06	3.160180557	1.660006989	0.002300965	1.221205608	up
pos_106	"Ethyl 3,4,5-trimethoxybenzoate"	0.000130133	8.82E-05	0.000321479	0.000192456	0.000187133	0.000238362	2.57E-05	2.54E-05	5.26E-05	2.82E-05	3.17E-05	2.61E-05	0.000192965	3.16E-05	0.163808581	-2.609917165	0.004535084	1.196586127	down
pos_107	3-Epioleanolic acid	0.000370833	1.45E-05	0.005826233	3.16E-05	7.29E-05	7.26E-05	0.006247473	9.74E-05	0.006177823	5.80E-05	7.94E-05	0.000117121	0.001064775	0.002129523	1.999975413	0.999982264	0.523425349	0.352479296	unchanged
pos_108	"9Z,11E,13-Tetradecatrienal"	6.76E-05	7.61E-07	0.000489594	1.14E-06	2.43E-06	2.77E-06	0.000754458	1.96E-06	0.000660769	7.10E-07	2.09E-06	1.00E-06	9.41E-05	0.000236833	2.518151466	1.332365064	0.424794518	0.427072271	unchanged
pos_109	"2-methyl-1,3-Cyclohexanedione"	4.86E-06	1.40E-07	7.49E-07	0	0	1.50E-07	6.20E-06	1.24E-05	2.32E-06	5.36E-06	6.95E-06	7.27E-06	9.84E-07	6.75E-06	6.865422474	2.779348501	0.005924571	1.121725949	up
pos_110	sec-Butylbenzene	0.000101812	3.50E-06	7.64E-06	2.67E-06	2.52E-05	2.85E-05	7.76E-06	8.07E-06	7.25E-06	4.72E-06	5.91E-06	6.86E-06	2.82E-05	6.76E-06	0.239611368	-2.061231741	0.222347062	0.643456071	unchanged
pos_111	Limonene aldehyde	3.38E-05	6.36E-05	4.25E-05	3.63E-05	3.73E-05	0.000135656	6.08E-05	8.64E-05	0.000162332	7.65E-05	5.51E-05	0.000129932	5.82E-05	9.52E-05	1.635565652	0.709789671	0.148409526	0.67646172	unchanged
pos_112	4-Vinylcyclohexene	8.15E-05	9.63E-05	7.12E-05	9.94E-05	0.00010426	9.17E-05	3.43E-05	4.11E-05	2.63E-05	2.86E-05	3.65E-05	3.90E-05	9.07E-05	3.43E-05	0.378122303	-1.403075149	1.74E-05	1.403874704	down
pos_113	Perillic acid	0.002020356	0.000933974	0.001659368	0.001023875	0.002102554	0.00185265	0.000230528	0.000253163	0.000305325	0.000331751	0.000277848	0.000350206	0.001598796	0.00029147	0.182306108	-2.455565198	0.001372619	1.327669788	down
pos_114	Cer(d14:1(4E)/20:0(2OH))	0.000177182	0.000298354	0.000311525	0.000438123	0.000304385	0.000525766	0.001169476	0.001008731	0.001415267	0.00200551	0.001036571	0.002135101	0.000342556	0.001461776	4.267264487	2.093311532	0.002095547	1.2642493	up
pos_115	Phenol	0.000310253	0.000216676	0.000398255	0.000475445	0.000650463	0.000530273	0.000325138	0.000282188	0.000359016	0.000501515	0.000390206	0.000210662	0.000430228	0.000344787	0.801407187	-0.319392647	0.288383557	0.487742089	unchanged
pos_116	"1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone"	0.000122736	9.34E-05	0.000221123	0.000139954	0.000163669	0.000168314	6.16E-05	7.65E-05	9.85E-05	7.63E-05	6.42E-05	5.85E-05	0.000151527	7.26E-05	0.479078005	-1.061667514	0.005579471	1.140691327	down
pos_117	"2,6-DIMETHOXYQUINONE"	0.005998755	0.00087105	0.005994734	0.002081163	0.0127262	0.004680487	0.000812492	0.001244788	0.001359485	0.001221932	0.001049703	0.000465996	0.005392065	0.001025733	0.19023003	-2.394183084	0.049790332	0.932858668	unchanged
pos_118	Benzofuran	0.00019774	0.00011633	0.000305725	0.000141738	0.000226877	0.000220945	0.00012551	0.000137997	0.000133915	0.000111566	0.000109178	8.81E-05	0.000201559	0.000117704	0.583967007	-0.776041232	0.027348638	0.972552937	unchanged
pos_119	Beta-D-Fructose 2-phosphate	0.000387777	0.001195852	0.000163114	0.000904056	0.000464533	0.000927728	0.000559191	0.000247453	0.000506218	0.000410981	0.000313567	0.000811403	0.000673843	0.000474802	0.704618182	-0.505086393	0.30500029	0.484641028	unchanged
pos_120	PC(0:0/18:1(6Z))	0.000487044	0.000301459	0.000461691	0.000266393	0.000590926	0.000571463	0.000748738	0.000706456	0.000765713	0.000509696	0.000601132	0.000808911	0.000446496	0.000690108	1.545607988	0.628174455	0.007314859	1.093240664	up
pos_121	Santene	8.47E-05	4.67E-05	6.59E-05	4.43E-05	8.62E-05	8.58E-05	4.02E-05	3.88E-05	6.81E-05	7.58E-05	4.00E-05	8.04E-05	6.89E-05	5.72E-05	0.830011393	-0.268796955	0.326747894	0.488541904	unchanged
pos_122	2-Ethyl-5-methylfuran	3.33E-06	1.16E-06	2.16E-06	0	2.83E-06	1.64E-06	4.59E-07	5.07E-06	3.55E-06	4.83E-06	4.26E-06	4.89E-06	1.85E-06	3.84E-06	2.073588391	1.052129546	0.0474955	0.823653203	unchanged
pos_123	R-(-)-Mandelic acid	0.000516249	0.0003015	0.000383605	0.000332123	0.000610352	0.00031173	0.000121346	0.000156279	0.000121889	0.000166502	0.000195746	0.000303044	0.00040926	0.000177468	0.433630709	-1.205461167	0.00452904	1.181776017	down
pos_124	Annocherine B	7.61E-05	0.000178211	0.000126357	0.000343591	0.000119431	0.000284968	0.000697021	0.000408853	0.000217093	0.00012265	0.000416817	0.000478478	0.000188112	0.000390152	2.074038544	1.052442706	0.063744837	0.877124294	unchanged
pos_125	"3,4-Dihydroxymandelaldehyde"	1.07E-05	8.31E-06	3.10E-05	1.56E-05	1.79E-05	1.67E-05	2.90E-06	4.92E-06	1.12E-06	2.12E-06	1.13E-06	6.35E-08	1.67E-05	2.04E-06	0.122166489	-3.033079492	0.005487334	1.161338929	down
pos_126	13(S)-HpOTrE	7.42E-05	5.46E-05	5.37E-05	0.000109592	9.25E-05	9.37E-05	0.000207482	0.000109592	9.05E-05	6.11E-05	4.88E-05	9.41E-05	7.97E-05	0.000101919	1.278478954	0.354428412	0.402579171	0.471995948	unchanged
pos_127	"cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol"	0.003161661	0.001165287	0.003665732	0.001729892	0.003587023	0.002255341	0.011014858	0.018661224	0.016715249	0.014187186	0.012795164	0.005874994	0.002594156	0.013208112	5.091487076	2.348087087	0.001788526	1.299046606	up
pos_128	3-(4-Hydroxyphenyl)-1-propanol	0.001215966	0.001119636	0.000672913	0.000802582	0.000997089	0.001074303	0.001276458	0.001599773	0.001154449	0.001046071	0.00134467	0.0020289	0.000980415	0.001408387	1.436521687	0.522579773	0.034605111	0.90562678	unchanged
pos_129	Monoanhydroescholtzxanthin	0.000497581	0.000552051	0.000326838	0.000473896	0.000532852	0.00063331	0.001079827	0.001440232	0.001047075	0.001054063	0.001334989	0.00141191	0.000502755	0.001228016	2.442575255	1.288403012	3.97E-05	1.372949583	up
pos_130	Anofinic acid	0.001117433	0.001076582	0.001156445	0.001279478	0.001314973	0.001476609	0.002213153	0.001839215	0.001968088	0.001943208	0.001743225	0.002296298	0.00123692	0.002000531	1.6173488	0.693630846	5.48E-05	1.366316545	up
pos_131	2-Ethyltoluene	2.84E-05	8.50E-06	7.85E-06	9.46E-06	1.87E-05	1.37E-05	1.36E-05	1.42E-05	5.28E-06	5.55E-06	2.00E-06	1.60E-05	1.44E-05	9.45E-06	0.655410082	-0.60953023	0.248509619	0.54052601	unchanged
pos_132	"cis-1,2-Dihydro-3-ethylcatechol"	0.000444828	0.0003206	0.000311208	0.00035182	0.000508297	0.000442546	0.000515044	0.000540611	0.000430538	0.000651645	0.000493078	0.000583197	0.00039655	0.000535685	1.350865054	0.433883562	0.011567689	1.008650523	up
pos_133	Cumene	0.000179054	7.90E-05	0.000140232	0.000107594	0.000205776	0.000161222	8.57E-06	2.30E-05	9.60E-06	1.16E-05	1.04E-05	1.47E-05	0.000145475	1.30E-05	0.0891945	-3.486901435	0.000877948	1.34342128	down
pos_134	UTILIN	0.002809042	0.002487805	0.002141629	0.002452577	0.002442844	0.002725656	0.00363259	0.003889351	0.003003037	0.005906723	0.003464747	0.004089827	0.002509926	0.003997713	1.592761374	0.67153014	0.01419127	1.076159163	up
pos_135	Asp Glu Thr Asp	0.003040803	0.005339329	0.000499778	0.003724717	0.001222955	0.003834983	0.001730619	0.001397946	0.000617074	0.002932481	0.001809836	0.002019048	0.002943761	0.001751167	0.594874194	-0.749343501	0.178998039	0.663622593	unchanged
pos_136	Tetrodotoxin	0.009532805	0.004454796	0.004045473	0.005552798	0.008624571	0.007515343	0.018245518	0.034848295	0.014795762	0.022259939	0.016686075	0.009128909	0.006620964	0.019327416	2.919124169	1.545535579	0.014988292	1.110020419	up
pos_137	ENOXOLONE	1.15E-08	6.26E-08	6.57E-05	0	0	0	0.001601355	1.11E-05	0.001879654	4.88E-09	9.90E-07	0	1.10E-05	0.000582192	53.11390609	5.731017727	0.181414138	0.684451924	unchanged
pos_138	"2-Methyl-1,3-cyclohexadiene"	2.67E-05	1.78E-05	1.59E-05	1.23E-05	2.13E-05	2.02E-05	5.04E-05	5.94E-05	2.99E-05	3.29E-05	3.37E-05	6.26E-05	1.90E-05	4.48E-05	2.354783522	1.235594437	0.00586193	1.186038911	up
pos_139	1-Piperidinecarboxaldehyde	1.66E-05	1.52E-05	1.74E-05	1.96E-05	1.93E-05	2.23E-05	3.16E-05	2.80E-05	3.34E-05	3.22E-05	2.66E-05	3.59E-05	1.84E-05	3.13E-05	1.700512034	0.765969216	3.87E-05	1.36808847	up
pos_140	Antibiotic X 14889D	0.0003436	0.000634438	0.00034814	0.000555394	0.000546383	0.000626527	0.001447949	0.001653202	0.001295029	0.001391006	0.001506867	0.001572097	0.00050908	0.001477692	2.902668641	1.537379888	1.46E-07	1.436438778	up
pos_141	Pro Asp Glu Asp	0.029395842	0.010943358	0.012179626	0.010218201	0.015830945	0.015262208	0.001583547	0.000980921	0.001857152	0.000887938	0.001486444	0.001818288	0.015638363	0.001435715	0.091807239	-3.445248268	0.004455384	1.268035063	down
pos_142	1-Isopropyl-3-methylbenzene	1.80E-05	5.80E-06	3.97E-06	3.10E-06	8.97E-06	7.90E-06	7.55E-06	6.89E-06	7.67E-06	6.61E-06	8.55E-06	1.20E-05	7.95E-06	8.21E-06	1.03250713	0.046151744	0.915664661	0.019092108	unchanged
pos_143	Phthalic acid Mono-2-ethylhexyl Ester	0.000769654	0.000721114	0.000746802	0.000860724	0.000896246	0.001069815	0.001669592	0.001392816	0.001608049	0.001557988	0.001401742	0.001940238	0.000844059	0.001595071	1.88976144	0.918204123	4.26E-05	1.368854312	up
pos_144	"exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol"	0.000382316	0.000162262	0.000294094	0.000179214	0.000390702	0.000342166	4.27E-05	4.32E-05	4.91E-05	6.36E-05	5.06E-05	6.13E-05	0.000291792	5.17E-05	0.177316583	-2.495600625	0.001947396	1.308964496	down
pos_145	Cohibin C	1.26E-05	0.000161308	3.12E-05	0.000100673	2.80E-05	9.14E-05	5.26E-05	0.000111427	6.86E-05	8.00E-05	7.55E-05	0.000123206	7.09E-05	8.52E-05	1.202466646	0.265996877	0.594426899	0.267198306	unchanged
pos_146	Nigrifactin	6.59E-06	5.75E-06	6.05E-06	7.48E-06	6.99E-06	7.71E-06	9.27E-06	1.27E-05	1.34E-05	8.68E-06	8.02E-06	1.24E-05	6.76E-06	1.08E-05	1.589978779	0.66900751	0.00741754	1.188301497	up
pos_147	13-epi-12-oxo Phytodienoic Acid	0.000141864	0.000141163	2.44E-05	0.000111891	8.66E-05	0.000142609	7.12E-05	7.16E-05	4.47E-05	7.36E-05	4.30E-05	9.66E-05	0.000108095	6.68E-05	0.617903119	-0.694547438	0.088168226	0.807364528	unchanged
pos_148	"2,5-Furandicarboxylic acid"	6.99E-06	8.14E-06	9.04E-06	8.83E-06	1.14E-05	1.02E-05	1.46E-05	1.18E-05	1.26E-05	1.53E-05	1.17E-05	1.28E-05	9.09E-06	1.31E-05	1.444330663	0.530401068	0.000947292	1.233776318	up
pos_149	"Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside"	0.000309063	0.000226418	0.000998934	0.000493394	0.000332534	0.000329419	0.000383537	0.000888041	0.000453555	0.000358002	0.00044238	0.000317809	0.000448294	0.000473887	1.057091063	0.080099662	0.862585001	0.153405193	unchanged
pos_150	2-(Methoxymethyl)furan	0.044665796	0.043740578	0.089072175	0.06097916	0.065214736	0.057171002	0.075241461	0.106321858	0.080291453	0.076701664	0.066087403	0.039645648	0.060140575	0.074048248	1.231252748	0.300126944	0.24175746	0.613838658	unchanged
pos_151	L-Arginine	0.000184832	0.000181391	7.06E-05	7.90E-05	0.000171172	0.000128327	8.86E-05	9.00E-05	0.000146015	6.92E-05	0.000115744	0.000515081	0.000135888	0.00017077	1.256702144	0.329642751	0.649117974	0.18753538	unchanged
pos_152	"3Z,6E,8E-Dodecatrien-1-ol"	6.18E-05	6.45E-05	6.25E-05	8.05E-05	7.38E-05	0.000127731	0.000166736	0.000133073	0.000296756	0.000204869	0.000183286	0.000306115	7.85E-05	0.000215139	2.740949813	1.454675912	0.003937332	1.193112054	up
pos_153	4-Vinylguaiacol	2.67E-05	3.88E-07	5.46E-07	0	1.19E-06	0	4.91E-07	1.09E-06	1.76E-06	0	1.64E-06	2.10E-06	4.81E-06	1.18E-06	0.245594427	-2.025650273	0.44679575	0.430534387	unchanged
pos_154	Vanillylmandelic acid	0.000365213	0.000204074	0.000278505	0.000293455	0.000467052	0.000341743	0.000145436	0.000166674	0.000135915	0.000250824	0.000159349	0.000137177	0.000325007	0.000165896	0.510437443	-0.970193933	0.005339529	1.159800914	down
pos_155	"4,5-Dihydrovomifoliol"	7.21E-05	5.73E-05	8.90E-05	5.88E-05	0.000113873	0.000112521	0.000737388	0.000816808	0.000534704	0.000550268	0.00054676	0.000617426	8.39E-05	0.000633893	7.551551185	2.916773023	5.58E-05	1.439277626	up
pos_156	3E-Hexene-2-one	1.81E-05	1.46E-05	1.33E-05	1.49E-05	2.14E-05	1.92E-05	2.62E-05	2.50E-05	2.18E-05	3.21E-05	2.34E-05	2.92E-05	1.69E-05	2.63E-05	1.554581879	0.636526604	0.001000949	1.203798989	up
pos_157	3-Butylpyridine	8.30E-06	8.17E-06	8.14E-06	9.43E-06	1.00E-05	1.19E-05	1.51E-05	1.37E-05	1.44E-05	1.23E-05	1.11E-05	1.64E-05	9.32E-06	1.38E-05	1.485878845	0.571316487	0.001191297	1.247824516	up
pos_158	beta-Thujaplicin	2.42E-05	1.70E-05	3.00E-05	1.42E-05	3.05E-05	2.59E-05	5.23E-05	1.77E-05	2.04E-05	2.46E-05	2.18E-05	2.03E-05	2.36E-05	2.62E-05	1.109042056	0.149314074	0.678411155	0.22383215	unchanged
pos_159	"p-Mentha-1,3,5,8-tetraene"	7.45E-05	2.32E-05	4.67E-05	2.08E-05	7.39E-05	6.92E-05	0.000175897	0.000250238	0.000189281	8.71E-05	0.000158171	0.000144432	5.14E-05	0.000167518	3.260748757	1.705203285	0.001931778	1.2561404	up
pos_160	"1,2-Dioleoyl-sn-glycerol"	0.001246207	0.001431996	0.000880723	0.001200713	0.000972835	0.001326167	0.00157878	0.001814479	0.001795675	0.001692035	0.001588073	0.002615709	0.00117644	0.001847458	1.570380312	0.651113991	0.006345716	1.112068617	up
pos_161	1-ethenyl-4-methoxy-Benzene	1.55E-06	7.02E-07	1.88E-06	1.57E-06	1.10E-06	1.22E-06	4.87E-06	1.08E-05	6.31E-06	1.95E-06	8.17E-06	8.52E-06	1.34E-06	6.77E-06	5.065333021	2.340657122	0.007483522	1.197378022	up
pos_162	Probenecid glucuronide	0.003908782	0.007436119	0.00270272	0.005176854	0.00369142	0.0040388	0.00170624	0.001284268	0.00152037	0.001225317	0.002278628	0.00461249	0.004492449	0.002104552	0.468464319	-1.093988928	0.019731836	1.002689545	down
pos_163	Salicyl alcohol	7.07E-06	0	6.40E-06	5.89E-07	3.77E-06	2.48E-06	3.99E-06	7.28E-06	8.11E-06	8.64E-06	5.21E-06	7.14E-06	3.39E-06	6.73E-06	1.987399628	0.990882	0.043064339	0.872820799	unchanged
pos_164	PG(12:0/16:0)	1.63E-05	2.21E-05	1.18E-05	2.09E-05	5.92E-06	1.57E-05	6.65E-05	6.95E-05	5.94E-05	8.77E-05	9.00E-05	9.74E-05	1.55E-05	7.84E-05	5.074111646	2.343155264	5.03E-05	1.375546639	up
pos_165	Chavicol	1.58E-06	0	0	2.55E-07	0	2.60E-07	9.62E-06	6.52E-06	6.24E-06	1.04E-05	6.70E-06	1.21E-05	3.49E-07	8.60E-06	24.6040357	4.62082307	0.000280674	1.360955551	up
pos_166	Acetyl tributyl citrate	0.004962433	0.004750599	0.005093194	0.006492994	0.007337184	0.008517636	0.012928516	0.012309091	0.012519677	0.011923907	0.011556853	0.014229693	0.00619234	0.012577956	2.031212166	1.022340941	1.80E-05	1.400492886	up
pos_167	Norchelerythrine	0.045678061	0.026869353	0.018508717	0.029061967	0.042201944	0.037272175	0.077810612	0.09302628	0.07000546	0.107105601	0.072784402	0.062383939	0.033265369	0.080519382	2.420516714	1.275315056	0.000291783	1.293868565	up
pos_168	p-Cymene	2.94E-05	7.42E-06	1.04E-05	6.82E-06	1.92E-05	1.81E-05	3.86E-05	5.96E-05	3.96E-05	2.21E-05	3.42E-05	3.55E-05	1.52E-05	3.83E-05	2.513412894	1.329647691	0.004400696	1.145233365	up
pos_169	N-stearoyl valine	0.000359371	0.000296551	0.000347562	0.000410095	0.000421314	0.000520695	0.000820372	0.000718927	0.000779244	0.000745153	0.000646953	0.000858155	0.000392598	0.000761467	1.939561047	0.955730185	7.92E-06	1.396426814	up
pos_170	"9Z,11E-Tetradecadienal"	7.84E-05	0.000117818	9.69E-05	8.54E-05	8.25E-05	0.000231017	0.000137132	0.000175342	0.000290619	0.000157527	0.000115392	0.000239168	0.00011533	0.000185863	1.611585777	0.688480978	0.079861221	0.800835214	unchanged
pos_171	2-METHOXYRESORCINOL	0.001137864	0.000867955	0.000802073	0.000758999	0.001193887	0.001149061	0.001046126	0.001277618	0.001093625	0.001213996	0.001013045	0.001126683	0.000984973	0.001128515	1.145732074	0.196269714	0.152070219	0.651021871	unchanged
pos_172	"2,4-Dimethyl-1H-indole"	7.79E-06	7.01E-06	5.89E-07	1.84E-06	3.74E-06	6.63E-06	2.33E-06	2.99E-06	1.65E-06	5.65E-06	2.20E-06	2.27E-05	4.60E-06	6.26E-06	1.360727663	0.444378354	0.656857365	0.180461512	unchanged
pos_173	C1'-C9-Glycosylated UWM6	0.007638119	0.008739518	0.003219639	0.003902044	0.003501958	0.004248041	0.006768309	0.004863432	0.011496813	0.010536322	0.015340518	0.011302016	0.00520822	0.010051235	1.929879192	0.94851054	0.026291852	0.869693929	unchanged
pos_174	2-Methoxyhydroquinone	1.13E-05	1.54E-05	6.12E-06	3.05E-06	8.97E-06	7.83E-06	2.86E-05	5.71E-05	7.94E-05	2.32E-05	5.69E-05	6.74E-05	8.78E-06	5.21E-05	5.932189397	2.568564659	0.004241878	1.218409853	up
pos_175	"2,6-nonadienoic acid"	8.83E-06	4.68E-06	7.65E-06	1.04E-05	1.15E-05	1.46E-05	2.92E-05	1.35E-05	1.45E-05	1.43E-05	1.60E-05	1.75E-05	9.62E-06	1.75E-05	1.819332798	0.863409469	0.022324322	1.009626381	up
pos_176	Mintsulfide	9.06E-07	7.22E-07	8.28E-07	1.45E-07	1.97E-07	2.42E-07	2.06E-06	5.68E-06	3.27E-06	1.13E-06	1.76E-06	2.58E-06	5.07E-07	2.75E-06	5.422855586	2.439052751	0.018207577	1.107390218	up
pos_177	3-Phenylpropanal	7.41E-06	9.18E-06	7.79E-06	9.67E-06	7.30E-06	8.43E-06	1.33E-05	1.36E-05	1.02E-05	1.26E-05	8.39E-06	1.27E-05	8.30E-06	1.18E-05	1.423207408	0.509145925	0.006527337	1.180310734	up
pos_178	4-Methylcatechol	0.000455196	0.000275478	0.000294646	0.000596125	0.001088318	0.000847114	0.000116293	0.000109055	8.13E-05	8.31E-05	0.000116362	0.000154463	0.000592813	0.000110096	0.185717958	-2.428814774	0.014270591	1.106678711	down
pos_179	Isoeugenol	5.71E-06	0	0	0	0	0	1.56E-05	2.42E-05	3.43E-06	4.31E-06	8.36E-06	2.91E-05	9.52E-07	1.42E-05	14.88440215	3.89572937	0.028373466	1.02472333	up
pos_180	"2,6Z-Nonadien-4-olide"	7.60E-05	3.75E-05	3.51E-05	4.29E-05	7.10E-05	4.98E-05	0.0002587	0.000240955	0.000273218	0.000447358	0.000425471	0.00035185	5.20E-05	0.000332925	6.398398519	2.677710852	0.000451376	1.323059863	up
pos_181	3-Methylcyclopentene	7.22E-07	8.62E-07	3.46E-07	8.03E-07	7.81E-07	2.38E-06	1.20E-06	2.00E-06	5.51E-06	2.60E-06	2.60E-06	4.90E-06	9.82E-07	3.14E-06	3.19537863	1.675986891	0.024998821	0.980649822	unchanged
pos_182	YM-53601	2.05E-05	8.04E-06	3.39E-06	7.77E-06	1.60E-05	1.50E-05	0	8.72E-07	8.71E-06	2.50E-06	3.65E-06	5.22E-06	1.18E-05	3.49E-06	0.29648352	-1.753976182	0.023761777	1.029038647	down
pos_183	(4-Methylphenyl)acetaldehyde	7.39E-05	7.31E-05	7.63E-05	8.97E-05	7.21E-05	8.20E-05	0.000141711	0.000107171	0.000122706	0.000137713	9.38E-05	0.000146102	7.78E-05	0.00012487	1.604045206	0.681714801	0.001886218	1.281246463	up
pos_184	3-Butynoate	2.37E-05	1.80E-05	6.61E-06	1.17E-05	1.95E-05	1.61E-05	2.88E-05	1.30E-05	2.69E-05	1.70E-05	2.38E-05	5.58E-05	1.59E-05	2.75E-05	1.727463347	0.7886551	0.126478206	0.677626773	unchanged
pos_185	Methyldopate	0.003010323	0.005187067	0.000934192	0.003502371	0.002715234	0.003061999	0.01570065	0.014371279	0.013235315	0.018678303	0.017104422	0.028170437	0.003068531	0.017876734	5.825827928	2.542463091	0.000800546	1.307394854	up
pos_186	AS 1-5	0.00230686	0.002682615	0.002780993	0.003700974	0.00275922	0.004152456	0.008795913	0.007552884	0.00988286	0.013719235	0.007616375	0.014329746	0.003063853	0.010316169	3.367057348	1.751488293	0.001565052	1.285673415	up
pos_187	Ochratoxin A	0.018398396	0.025642212	0.012292155	0.02714955	0.019488725	0.030556535	0.00583704	0.009502678	0.010569189	0.008301824	0.006320555	0.005151861	0.022254596	0.007613858	0.34212519	-1.547403765	0.002240612	1.239052243	down
pos_188	3-Furoic acid	0.000159414	0.000145983	8.47E-05	0.000115665	0.00016876	0.000215632	0.000118867	0.000131771	0.000142321	0.000113683	0.000148705	0.000199425	0.000148356	0.000142462	0.960268567	-0.058490141	0.797964033	0.156225001	unchanged
pos_189	1-ACETYLPIPERIDINE	2.44E-05	2.38E-05	2.43E-05	3.08E-05	3.11E-05	3.86E-05	5.12E-05	4.67E-05	6.11E-05	5.60E-05	4.66E-05	7.10E-05	2.88E-05	5.54E-05	1.922523942	0.943001565	0.000322475	1.302212237	up
pos_190	S-Adenosylhomocysteine-d4	0.000849916	0.000806773	0.000624785	0.000690203	0.000763884	0.000778414	0.001575055	0.002079634	0.001349793	0.001122896	0.001456586	0.001767482	0.000752329	0.001558574	2.071665455	1.050791047	0.001548766	1.308318626	up
pos_191	1-Linoleoylglycerophosphocholine	0.000159944	2.95E-05	9.37E-05	2.40E-05	0.000177246	0.000199921	3.59E-05	2.64E-05	4.25E-05	2.49E-05	2.37E-05	3.15E-05	0.000114068	3.08E-05	0.270174281	-1.888037747	0.044107484	0.957053579	unchanged
pos_192	Madasiatic acid	1.25E-06	3.18E-07	2.85E-05	0	0	3.42E-07	0.00082025	3.13E-06	0.000721491	4.74E-07	2.74E-07	0	5.07E-06	0.000257603	50.77521113	5.666052428	0.181636261	0.686848267	unchanged
pos_193	"2E,7-Octadienal"	3.32E-06	3.75E-06	3.05E-06	3.42E-06	4.06E-06	7.40E-06	9.69E-06	7.50E-06	1.88E-05	9.87E-06	7.90E-06	1.76E-05	4.16E-06	1.19E-05	2.85563061	1.513809372	0.011081086	1.111562266	up
pos_194	7-METHOXYCHROMONE	0.000676202	0.000300778	0.000489878	0.000278171	0.000496137	0.000368043	0.000375215	0.000255095	0.000389833	0.000262956	0.000286292	0.000449871	0.000434868	0.000336544	0.773897902	-0.369784847	0.195096282	0.635843706	unchanged
pos_195	4-n-Butylresorcinol	8.31E-05	4.95E-05	5.18E-05	6.02E-05	9.80E-05	8.38E-05	4.91E-06	3.87E-06	1.73E-06	4.07E-06	2.45E-06	5.72E-06	7.11E-05	3.79E-06	0.053387619	-4.227350968	0.000405126	1.382259011	down
pos_196	"(E,E)-2,4-Decadienoic isobutylamide"	2.42E-05	2.23E-05	2.18E-05	2.48E-05	2.49E-05	2.90E-05	4.22E-05	3.42E-05	3.61E-05	3.18E-05	3.37E-05	4.00E-05	2.45E-05	3.63E-05	1.481887027	0.567435467	0.000223968	1.326379867	up
pos_197	"2,4,6-Trimethylacetophenone imine"	1.83E-05	1.49E-05	1.67E-05	2.01E-05	1.72E-05	2.01E-05	2.91E-05	2.44E-05	2.81E-05	2.18E-05	2.03E-05	2.94E-05	1.79E-05	2.55E-05	1.426782267	0.51276519	0.003210829	1.219164448	up
pos_198	3-Methylbutyraldehyde oxime	0.000218564	0.000216714	0.000224398	0.000232443	0.000234338	0.000239292	0.000338487	0.000314563	0.00031466	0.000280421	0.000246735	0.000329689	0.000227625	0.000304092	1.335936601	0.417851544	0.002212626	1.307847043	up
pos_199	10-hydroxy-2E-decenoic acid	0.000281766	0.000153997	0.000221854	0.000140011	0.000285532	0.00027295	0.000138047	0.000119559	0.000231652	0.000258566	0.000141594	0.000240432	0.000226018	0.000188308	0.833154829	-0.263343472	0.328554603	0.493201599	unchanged
pos_200	2-(BENZYLMETHYLAMINO)-ETHANOL N-OXIDE	2.60E-05	1.82E-05	5.82E-07	3.89E-06	8.36E-06	1.08E-05	4.75E-05	4.50E-05	3.40E-05	6.14E-05	7.80E-05	0.000217747	1.13E-05	8.06E-05	7.129449574	2.833790698	0.056706803	0.869832464	unchanged
pos_201	Phenylpropylmethylamine	4.98E-06	3.48E-06	4.61E-06	6.27E-06	5.73E-06	5.16E-06	1.03E-05	7.00E-06	7.79E-06	8.16E-06	6.88E-06	9.35E-06	5.04E-06	8.25E-06	1.637218588	0.711246951	0.001042348	1.248414261	up
pos_202	3-Ethyltoluene	1.80E-05	2.25E-06	0	4.08E-06	1.90E-05	1.16E-05	0	0	0	0	2.09E-07	8.56E-07	9.15E-06	1.77E-07	0.019391937	-5.688399243	0.044089944	0.983268065	unchanged
pos_203	5-Deoxy-5-aminoshikimic acid	4.44E-05	4.06E-06	1.02E-05	2.86E-06	2.15E-05	2.04E-05	5.86E-06	7.58E-06	5.79E-06	3.13E-06	7.36E-06	7.95E-06	1.72E-05	6.28E-06	0.364398623	-1.456410588	0.143534301	0.749659077	unchanged
pos_204	(Z)-4-(1-Propenyl)phenol	1.22E-05	6.23E-06	6.48E-06	6.13E-06	1.12E-05	7.15E-06	2.16E-07	2.59E-06	0	1.62E-06	3.82E-07	2.14E-07	8.23E-06	8.36E-07	0.101556372	-3.299647326	0.000626302	1.329641848	down
pos_205	LAWSONE	0.000210085	0.000203295	0.000337568	0.000265185	0.000297349	0.000315126	0.000150664	0.000186299	0.000182973	0.000143854	0.000133046	0.000114166	0.000271435	0.000151834	0.559374719	-0.838113043	0.001872621	1.175899522	down
pos_206	2-Oxo-5-methylthiopentanoic acid	0.000613986	0.000162748	0.000264464	0.000140973	0.000513601	0.000201849	0.000741667	0.00053238	0.000842817	0.000330622	0.001004073	0.000741067	0.00031627	0.000698771	2.209412902	1.143663059	0.013122683	0.977102183	unchanged
pos_207	Glycerol 2-phosphate	3.02E-05	7.47E-05	2.71E-05	7.56E-05	5.27E-05	6.57E-05	0.000227437	0.000113313	0.000226663	7.66E-05	0.000145288	0.000327169	5.43E-05	0.000186082	3.425369437	1.776259596	0.015989452	1.090423405	up
pos_208	5-Methyl-2-furaldehyde	3.30E-05	3.11E-05	2.75E-05	3.69E-05	7.10E-05	3.20E-05	5.78E-05	0.000133471	9.99E-06	1.84E-05	0.000108849	1.94E-05	3.86E-05	5.80E-05	1.503058902	0.587901547	0.418301032	0.401881853	unchanged
pos_209	Orsellinic acid	4.07E-06	3.06E-06	8.53E-06	3.62E-06	6.44E-06	6.36E-06	1.44E-06	1.64E-06	5.07E-10	6.39E-07	1.05E-07	2.82E-07	5.35E-06	6.84E-07	0.128040006	-2.96533344	0.002041964	1.223368214	down
pos_210	"N,N-Dimethylaniline"	0.001068894	0.001010894	0.001138523	0.00124663	0.001211658	0.001322533	0.001913897	0.001656211	0.001745944	0.001622483	0.001427425	0.001851132	0.001166522	0.001702849	1.459765545	0.545736674	0.000171773	1.351026894	up
pos_211	Famphur	2.47E-05	1.40E-06	4.23E-05	1.36E-06	4.55E-05	1.31E-06	3.06E-06	4.94E-05	8.19E-06	2.71E-06	5.58E-06	1.35E-05	1.94E-05	1.38E-05	0.70829607	-0.497575557	0.626682607	0.198471249	unchanged
pos_212	hydrocinnamic acid	1.47E-05	1.50E-05	1.52E-05	1.65E-05	1.44E-05	1.62E-05	2.99E-05	2.06E-05	2.46E-05	2.55E-05	2.04E-05	2.83E-05	1.53E-05	2.49E-05	1.623397468	0.699016268	0.00152282	1.31123614	up
pos_213	Multifidol	0.000662079	0.000142923	0.000549557	0.000105313	0.000482606	0.000555494	7.68E-06	3.29E-06	3.20E-06	3.28E-07	4.25E-06	1.70E-05	0.000416329	5.96E-06	0.014320797	-6.125744383	0.007712179	1.198103642	down
pos_214	o-Toluidine	1.12E-06	1.26E-06	6.09E-07	1.31E-06	1.70E-06	1.29E-06	2.54E-06	2.74E-06	3.13E-06	2.22E-06	2.96E-06	3.24E-06	1.22E-06	2.80E-06	2.306356379	1.205615456	2.18E-05	1.348878787	up
pos_215	Furfural	0.000210584	0.000183731	0.000143478	0.000137293	0.000216915	0.000186167	0.000163386	0.000192947	0.00017576	0.000106916	0.000170147	0.000269003	0.000179695	0.000179693	0.999992263	-1.12E-05	0.999957569	0.020743097	unchanged
pos_216	"1-(1,4-dimethylcyclohex-3-enyl)ethanone"	0.000294064	9.39E-06	5.00E-05	1.52E-05	0.000182891	0.000154248	5.51E-07	2.86E-05	1.37E-06	6.08E-07	1.46E-06	5.64E-07	0.000117637	5.52E-06	0.046947102	-4.412820076	0.058793203	0.92914776	unchanged
pos_217	"2,6-Diethylaniline"	5.22E-06	4.40E-06	5.19E-06	6.04E-06	6.13E-06	6.48E-06	8.86E-06	8.83E-06	8.84E-06	6.82E-06	5.90E-06	9.12E-06	5.58E-06	8.06E-06	1.445805894	0.531873877	0.00453183	1.200676555	up
pos_218	beta-Ionone	1.73E-06	2.64E-06	2.62E-06	3.21E-06	2.48E-06	3.41E-06	6.50E-06	7.62E-06	8.98E-06	4.33E-06	4.99E-06	6.87E-06	2.68E-06	6.55E-06	2.443583959	1.288998675	0.001738806	1.302699152	up
pos_219	Dicyclopentadiene	3.70E-05	1.32E-05	2.29E-05	1.28E-05	3.09E-05	3.55E-05	0.000113651	0.000205911	0.000106513	5.35E-05	0.000135827	0.000107982	2.54E-05	0.00012057	4.752144955	2.248578843	0.004793942	1.233471581	up
pos_220	Pentylone	0.000316999	0.001610878	2.54E-05	0.000354532	0.000140102	0.000156514	0.001430383	0.000567537	0.001266322	0.001557643	0.001716323	0.003068625	0.000434063	0.001601139	3.688722693	1.883121336	0.0196907	0.93830663	unchanged
pos_221	"7,9-decadienoic acid"	0.000145728	1.00E-04	8.70E-05	8.44E-05	0.000128471	0.000171021	3.14E-05	4.32E-05	3.64E-05	8.08E-05	1.15E-05	5.66E-05	0.000119437	4.33E-05	0.362647395	-1.463360608	0.001759962	1.208907119	down
pos_222	Confertifoline	0.00036686	0.000358407	0.000405114	0.000430739	0.000418271	0.000454287	0.000691903	0.000609504	0.000616724	0.000596476	0.000530895	0.000653484	0.000405613	0.000616498	1.519916408	0.603991981	2.93E-05	1.398993263	up
pos_223	DMPO	7.70E-06	1.09E-05	9.93E-06	9.25E-06	8.88E-06	1.66E-05	1.41E-05	1.55E-05	2.21E-05	1.51E-05	1.22E-05	1.94E-05	1.05E-05	1.64E-05	1.55635164	0.638168057	0.014105375	1.03828948	up
pos_224	"2-Hydroxy-1,4-benzoquinone"	2.56E-05	2.44E-05	1.49E-05	1.97E-05	2.86E-05	3.02E-05	2.02E-05	2.44E-05	2.68E-05	2.02E-05	2.50E-05	3.36E-05	2.39E-05	2.51E-05	1.047375851	0.066779246	0.721989161	0.135052804	unchanged
pos_225	2-Pyrrolidinone	1.18E-05	1.54E-05	3.97E-06	8.12E-06	1.51E-05	1.65E-05	4.77E-06	4.63E-06	1.03E-05	1.14E-05	7.66E-06	2.08E-05	1.18E-05	9.94E-06	0.841566084	-0.248851532	0.568540537	0.319572801	unchanged
pos_226	5-Methoxytryptophol	5.74E-05	9.66E-05	9.92E-06	4.26E-05	4.10E-05	5.22E-05	0.000105301	4.61E-05	6.09E-05	0.00010302	0.000124748	0.000201212	4.99E-05	0.000106879	2.140134141	1.097701225	0.055896747	0.80412861	unchanged
pos_227	Trifloxystrobin	0.002385345	0.007897922	0.001025644	0.006528872	0.001809363	0.003413421	0.001158323	0.000295638	0.000309641	0.000245723	0.000905211	0.000299361	0.003843428	0.000535649	0.139367632	-2.84303256	0.031931864	0.999809574	unchanged
pos_228	6-Methylquinoline	9.87E-06	1.04E-05	1.11E-05	1.19E-05	9.70E-06	1.23E-05	1.60E-05	1.52E-05	1.57E-05	1.31E-05	1.18E-05	1.55E-05	1.09E-05	1.46E-05	1.338729239	0.420864202	0.001896203	1.259236182	up
pos_229	2-Methylpropanamine	1.62E-05	1.58E-05	2.08E-05	2.21E-05	2.20E-05	1.96E-05	3.26E-05	2.79E-05	2.44E-05	2.59E-05	2.39E-05	2.94E-05	1.94E-05	2.74E-05	1.409422332	0.495103978	0.001277429	1.251367985	up
pos_230	(S)-(-)-Perillyl alcohol	2.45E-05	2.68E-05	2.43E-05	3.20E-05	2.27E-05	3.90E-05	7.57E-05	4.41E-05	6.77E-05	4.13E-05	6.19E-05	4.69E-05	2.82E-05	5.63E-05	1.992945033	0.99490192	0.003138695	1.213217411	up
pos_231	"1,4-Diethylbenzene"	4.12E-05	0	5.66E-07	0	1.23E-05	1.34E-06	2.89E-06	4.09E-06	1.83E-06	1.25E-06	2.86E-06	3.06E-06	9.24E-06	2.67E-06	0.288583581	-1.792938875	0.371351614	0.492283162	unchanged
pos_232	Glycidyl oleate	4.56E-05	8.02E-05	6.19E-05	0.000110003	0.000103691	0.00016395	0.000246527	0.000264214	0.000200529	0.000235697	0.000181952	0.000225161	9.42E-05	0.00022568	2.395166401	1.260125889	0.000147824	1.348413627	up
pos_233	Danielone	3.03E-05	3.29E-05	3.39E-05	3.99E-05	4.58E-05	4.90E-05	6.66E-05	6.19E-05	5.96E-05	5.60E-05	5.44E-05	6.34E-05	3.87E-05	6.03E-05	1.559691588	0.641260781	0.000283867	1.336726069	up
pos_234	Leptodactylone	0.001353566	0.000612634	0.001076581	0.000575319	0.001462889	0.00166644	0.001930594	0.002097032	0.001463927	0.002144119	0.001350586	0.002091146	0.001124571	0.001846234	1.641722264	0.715210082	0.01231347	1.042297713	up
pos_235	"8,11-Heptadecadienal"	0.000111198	0.000173774	0.000138756	0.000121453	0.000121367	0.00035393	0.000188412	0.0002575	0.000439075	0.000225608	0.000166555	0.000351088	0.00017008	0.000271373	1.59556499	0.674067373	0.106615976	0.747443086	unchanged
pos_236	1-Aminocyclohexanecarboxylic acid	0.000137209	0.00013526	5.00E-05	8.70E-05	0.000140069	0.000191032	0.000106851	9.91E-05	0.000106328	0.000134027	0.000169685	0.000217053	0.00012343	0.000138848	1.124913785	0.169814436	0.587011646	0.193881918	unchanged
pos_237	n-Butylbenzene	1.42E-05	0	2.55E-06	0	8.61E-06	8.30E-06	1.11E-05	1.51E-05	8.36E-06	6.09E-06	7.23E-06	1.19E-05	5.61E-06	9.97E-06	1.77556473	0.828277956	0.145423202	0.667469273	unchanged
pos_238	Ser Tyr Arg	0.013381798	0.011913137	0.015079291	0.01844904	0.019940909	0.025730721	0.036444196	0.033407239	0.036514002	0.032905837	0.030308986	0.040330251	0.017415816	0.034985085	2.008811146	1.006341939	6.86E-05	1.364060389	up
pos_239	"2',4'-Dihydroxy-2,3',6'-trimethoxychalcone"	0.001619468	0.001538892	0.003095381	0.001987941	0.002060681	0.001814926	0.001173359	0.001308659	0.001225573	0.001275834	0.00098312	0.000886698	0.002019548	0.001142207	0.565575629	-0.822208139	0.011089321	1.071605523	down
pos_240	Tocopheronic acid	0.000287166	0.000179844	0.000232719	0.000172837	0.000287651	0.000275582	0.000180618	0.000143409	0.000257789	0.000260333	0.000186003	0.000266341	0.0002393	0.000215749	0.901583121	-0.149467589	0.455513715	0.395512879	unchanged
pos_241	"3,4-Dimethylstyrene"	4.14E-05	1.05E-05	2.54E-05	9.59E-06	4.05E-05	3.77E-05	3.50E-05	3.04E-05	2.95E-05	2.36E-05	4.13E-05	2.90E-05	2.75E-05	3.15E-05	1.144228479	0.194375157	0.561189954	0.245887702	unchanged
pos_242	4-octenedial	2.56E-05	9.42E-06	7.75E-06	7.86E-06	1.64E-05	1.33E-05	2.78E-05	4.09E-05	2.42E-05	4.14E-05	3.65E-05	3.31E-05	1.34E-05	3.40E-05	2.540290726	1.344993617	0.000424579	1.226370706	up
pos_243	Taraxasterol	1.22E-05	5.93E-07	1.32E-06	1.95E-06	2.90E-07	2.14E-06	1.83E-05	0.000109328	0.000138451	0.000161288	0.000101698	0.000154397	3.09E-06	0.000113917	36.88507703	5.204965344	0.003463085	1.233795261	up
pos_244	Tyr Tyr Met Phe	0.001234489	0.003017307	0.000645239	0.001366062	0.000731425	0.001415553	0.001019092	0.000530568	0.000678082	0.000730002	0.000824041	0.001589542	0.001401679	0.000895221	0.6386777	-0.646840017	0.22697421	0.600658483	unchanged
pos_245	Fulvine	0.028992046	0.057884144	0.014260183	0.073137035	0.018730677	0.040926167	0.039768405	0.013438252	0.009626512	0.011240235	0.068637513	0.006617987	0.038988375	0.024888151	0.638347978	-0.64758501	0.329260005	0.478323527	unchanged
pos_246	N-Methylethanolamine phosphate	3.73E-06	5.35E-07	2.23E-06	1.48E-06	5.88E-06	7.58E-06	4.15E-07	3.73E-06	1.19E-06	8.60E-07	3.43E-06	2.07E-06	3.57E-06	1.95E-06	0.545359917	-0.874719426	0.230139712	0.564710267	unchanged
pos_247	Desmethyl BMPN-benzoic acid glucuronide	0.003579192	0.004527295	0.002170664	0.003721262	0.002685937	0.003209486	0.003915408	0.004925684	0.003898226	0.003855862	0.00539679	0.003341375	0.003315639	0.004222224	1.273426836	0.348716072	0.078295518	0.743236359	unchanged
pos_248	o-Cymene	1.26E-05	1.16E-06	3.73E-06	1.84E-06	8.90E-06	7.60E-06	3.43E-06	8.98E-06	3.69E-06	2.23E-06	5.38E-06	1.95E-06	5.97E-06	4.28E-06	0.7160459	-0.481876025	0.446053614	0.378995964	unchanged
pos_249	Tyr-OEt	0.002587602	0.002628891	0.003325096	0.003951986	0.002876955	0.004250051	0.0015961	0.001811858	0.004751641	0.005619102	0.003600274	0.002300569	0.003270097	0.003279924	1.003005141	0.004329	0.989701395	0.016845894	unchanged
pos_250	"4,2'-Dihydroxy-3',4',6'-trimethoxychalcone"	0.000484682	0.000292654	0.001146377	0.000386232	0.000558866	0.000453477	5.24E-05	8.42E-05	9.28E-05	6.94E-05	4.50E-05	3.48E-05	0.000553715	6.31E-05	0.113924867	-3.133845411	0.010705143	1.127339639	down
pos_251	"2,5-Furandicarboxaldehyde"	0.004227696	0.004361467	0.010343715	0.007790592	0.006663939	0.007180254	0.014792548	0.021868067	0.014394637	0.013839398	0.012594201	0.006149746	0.006761277	0.013939766	2.061706115	1.043838699	0.015440073	1.101413989	up
pos_252	O-hexanoyl-adenosine monophosphate	0.003737627	0.008805248	0.002877015	0.006609411	0.002824385	0.003732932	0.004362252	0.002769734	0.004394405	0.003504841	0.006775126	0.005318791	0.004764436	0.004520858	0.948875729	-0.07570894	0.83622858	0.144422362	unchanged
pos_253	2-Methyl-2-cyclopenten-1-one	7.34E-06	1.36E-06	0	6.21E-06	4.52E-06	8.16E-06	0	0	0	0	0	8.80E-07	4.60E-06	1.47E-07	0.031910313	-4.969833428	0.021099328	1.069062321	down
pos_254	ARCAINE	0.000134325	9.92E-05	0.000156543	0.000154166	0.000188964	0.000181424	7.17E-05	8.86E-05	9.76E-05	9.93E-05	6.97E-05	9.35E-05	0.000152433	8.67E-05	0.569000104	-0.813499178	0.003072148	1.187361721	down
pos_255	Isovelleral	0.002033886	3.25E-05	8.93E-05	2.35E-05	0.000440287	0.000524127	5.41E-06	1.52E-05	4.05E-06	7.37E-06	8.16E-06	1.68E-05	0.000523932	9.50E-06	0.018140527	-5.784639782	0.162861178	0.727404117	unchanged
pos_256	Cuminaldehyde	1.45E-05	1.46E-06	5.52E-06	1.60E-06	1.27E-05	1.15E-05	2.55E-06	2.50E-06	3.10E-06	2.92E-06	1.34E-06	1.40E-06	7.88E-06	2.30E-06	0.292002574	-1.775947008	0.063826644	0.900287861	unchanged
pos_257	"2E,4Z-Heptadienal"	2.61E-06	3.02E-06	1.59E-06	1.51E-06	2.87E-06	7.48E-06	8.58E-06	8.01E-06	2.14E-05	1.43E-05	1.07E-05	2.14E-05	3.18E-06	1.40E-05	4.417084768	2.143094519	0.005653017	1.155244831	up
pos_258	"cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene"	5.57E-06	5.52E-06	6.24E-06	6.57E-06	6.15E-06	6.86E-06	8.01E-06	8.32E-06	1.11E-05	1.10E-05	8.62E-06	8.98E-06	6.15E-06	9.34E-06	1.517492441	0.60168933	0.001380594	1.267315477	up
pos_259	Exiguaflavanone M	3.99E-07	5.31E-07	0	1.31E-06	5.94E-06	9.10E-06	3.22E-06	0	6.41E-06	1.45E-06	0	6.93E-07	2.88E-06	1.96E-06	0.680788754	-0.554720891	0.629478186	0.200993326	unchanged
pos_260	"p-Mentha-1,3,8-triene"	1.20E-05	1.30E-05	4.93E-06	9.58E-06	8.52E-06	1.31E-05	1.25E-05	8.35E-06	6.79E-06	8.00E-06	5.80E-06	8.25E-06	1.02E-05	8.27E-06	0.812975635	-0.29871598	0.262336256	0.518622047	unchanged
pos_261	Alpha-Calacorene	5.54E-05	0	2.25E-06	0	2.52E-05	9.31E-06	3.51E-07	0	1.41E-06	0	1.35E-06	8.62E-07	1.53E-05	6.62E-07	0.043146089	-4.534626414	0.159913844	0.734467098	unchanged
pos_262	"2,4-Pentadienal"	0.000106337	0.00012282	6.36E-05	8.97E-05	0.000138254	0.000123938	0.000118921	0.000140749	0.000115128	0.000112084	0.000141229	0.000186667	0.00010744	0.000135796	1.263925941	0.337911932	0.105391982	0.692220268	unchanged
pos_263	"9S,10R-Epoxy-6Z-octadecene"	6.26E-06	1.21E-05	7.47E-06	8.78E-06	6.15E-06	6.68E-06	0.00014983	0.000136698	0.000117134	9.31E-05	9.63E-05	0.000142023	7.90E-06	0.000122512	15.50970625	3.955099457	7.52E-05	1.439834677	up
pos_264	"3,4-Dimethoxy-1,2-benzenedicarboxylic acid"	0.000710282	0.000523244	0.000838027	0.000592681	0.000735177	0.000631021	0.000961039	0.001475311	0.001010722	0.000781646	0.000726886	0.000868008	0.000671739	0.000970602	1.444910304	0.530979937	0.041877588	0.978090026	unchanged
pos_265	"2,5-Dihydroxybenzaldehyde"	0.000304936	0.000270518	3.84E-05	0.000182831	0.000140348	0.000319464	0.000172148	0.000285978	0.000106449	0.00054495	0.000233264	0.000496485	0.000209422	0.000306546	1.463768785	0.549687686	0.284717375	0.45675857	unchanged
pos_266	Encecalin	5.14E-05	3.53E-05	5.05E-05	3.10E-05	3.57E-05	3.77E-05	2.00E-05	6.40E-05	1.28E-05	1.47E-05	1.52E-05	1.29E-05	4.03E-05	2.33E-05	0.577702175	-0.791602169	0.099818585	0.719715917	unchanged
pos_267	3-(4-Methylphenyl)-2-propenal	4.15E-06	4.16E-06	5.07E-06	3.82E-06	5.47E-06	4.29E-06	6.95E-06	7.48E-06	7.20E-06	5.77E-06	6.18E-06	6.60E-06	4.49E-06	6.70E-06	1.490535556	0.57583079	0.000135635	1.331241424	up
pos_268	"DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)"	0.000201632	0.000143445	0.000251207	0.000292972	0.000293547	0.000346315	0.00043662	0.000452898	0.000355804	0.00022983	0.000234598	0.000349275	0.000254853	0.000343171	1.346542717	0.429259998	0.104048265	0.818767378	unchanged
pos_269	Alloxydim	0.000533968	0.001780881	0.000347631	0.00160225	0.000232025	0.000484573	0.000341031	9.26E-05	0.000169081	0.000138499	0.000685535	0.000162464	0.000830221	0.000264865	0.319029823	-1.6482368	0.099803663	0.786685395	unchanged
pos_270	"3,4-Dihydroxystyrene"	0.001685599	0.001933368	0.001842802	0.002029202	0.002308823	0.00237837	0.000547683	0.000437281	0.000580796	0.000495299	0.000479269	0.000519914	0.002029694	0.00051004	0.251289292	-1.992578901	2.34E-05	1.426778272	down
pos_271	4-Methylphenyl acetone	2.11E-05	1.04E-05	1.54E-05	1.23E-05	2.14E-05	1.96E-05	1.74E-06	1.88E-06	1.36E-06	1.08E-06	7.38E-07	1.62E-06	1.67E-05	1.40E-06	0.083981517	-3.573784349	0.000488671	1.372277516	down
pos_272	1-Oleoyl-2-acetyl-sn-glycerol	6.30E-06	2.43E-06	7.70E-06	4.91E-06	6.89E-06	5.64E-06	1.22E-05	9.08E-06	6.33E-06	5.40E-06	6.79E-06	8.05E-06	5.64E-06	7.97E-06	1.411850648	0.497587482	0.093752243	0.800584556	unchanged
pos_273	eugenol	1.38E-05	8.87E-06	8.60E-06	6.46E-06	1.53E-05	9.04E-06	0	0	0	0	1.00E-06	0	1.04E-05	1.67E-07	0.01614459	-5.952805411	0.000711416	1.372603469	down
pos_274	Methyl methacrylate	0.000111282	0.000100848	6.43E-05	9.30E-05	0.000141703	0.000138404	9.14E-05	9.75E-05	0.000118133	0.000133535	9.87E-05	0.000143708	0.000108267	0.000113841	1.051487959	0.072432329	0.714535458	0.138323867	unchanged
pos_275	"2,4-heptadienal"	2.46E-05	2.32E-05	6.11E-06	1.14E-05	2.05E-05	2.00E-05	6.50E-07	1.27E-07	2.40E-07	4.88E-06	1.59E-06	1.68E-05	1.76E-05	4.05E-06	0.2295255	-2.123273653	0.006754094	1.125116011	down
pos_276	6-Methoxyflavone	0.000801389	0.00076001	0.001434124	0.000874116	0.000974154	0.000969336	0.000535452	0.000710334	0.000478552	0.000527298	0.000382108	0.00031972	0.000968855	0.000492244	0.508067852	-0.976906914	0.003213035	1.129502094	down
pos_277	2-Furanmethanol	2.17E-05	2.29E-05	9.78E-06	1.52E-05	2.31E-05	2.27E-05	4.96E-06	6.19E-06	3.75E-06	1.01E-05	6.12E-06	1.07E-05	1.92E-05	6.97E-06	0.362587035	-1.463600754	0.001580398	1.266076506	down
pos_278	Ethyl 2-furanpropionate	0.000724821	0.000268382	0.000644613	0.000258556	0.000598693	0.000647606	0.000191434	0.000209079	0.000182651	0.000162426	0.0001521	0.000155399	0.000523778	0.000175515	0.335093947	-1.57736247	0.008698857	1.172771514	down
pos_279	Proline betaine	3.98E-05	3.12E-05	1.28E-05	4.31E-05	0.000726807	0.002084547	1.61E-05	2.06E-05	2.36E-05	2.46E-05	3.51E-05	5.00E-05	0.000489704	2.83E-05	0.057864105	-4.111187505	0.231187467	0.56569379	unchanged
pos_280	Tetrahydrofurfuryl cinnamate	3.73E-05	3.91E-05	5.37E-05	3.44E-05	2.91E-05	3.32E-05	4.21E-06	1.91E-05	4.64E-06	2.15E-06	3.37E-06	3.07E-06	3.78E-05	6.08E-06	0.160914307	-2.63563549	3.90E-05	1.330141233	down
pos_281	Cohibin D	1.60E-05	1.02E-05	9.66E-06	9.20E-06	0.000140657	3.01E-05	7.17E-05	2.43E-05	5.80E-05	2.43E-05	5.31E-05	6.04E-05	3.60E-05	4.86E-05	1.352335077	0.435452662	0.595109224	0.249008077	unchanged
pos_282	Heptanoyl thio-PC	1.74E-05	1.11E-05	6.08E-07	6.72E-06	5.72E-06	8.42E-06	3.43E-05	4.08E-05	1.61E-05	4.39E-06	4.93E-06	1.82E-05	8.33E-06	1.98E-05	2.376113547	1.24860378	0.127210823	0.766225441	unchanged
pos_283	Benzoximate	0.000395511	0.00047181	0.00055561	0.00051048	0.000425115	0.00048903	0.000166435	0.000144464	0.000149984	0.000110596	0.000101593	0.000158166	0.000474593	0.00013854	0.291912804	-1.776390604	3.89E-06	1.409009245	down
pos_284	Geraniol	1.48E-05	0	0	0	5.34E-06	6.08E-06	0	3.58E-07	0	0	0	9.98E-07	4.36E-06	2.26E-07	0.051792639	-4.271109127	0.141956896	0.756431452	unchanged
pos_285	Asn Gln Phe Thr	0.00013749	6.76E-05	0.000193958	8.07E-05	0.000171775	0.000171468	0.000146542	9.91E-05	0.000160378	0.000104723	8.14E-05	0.000144239	0.000137162	0.000122719	0.894703982	-0.160517658	0.578097711	0.229726908	unchanged
pos_286	Pentedrone	7.63E-05	4.52E-05	4.01E-05	3.79E-05	8.71E-05	6.49E-05	2.25E-05	2.49E-05	3.05E-05	3.01E-05	3.07E-05	3.67E-05	5.86E-05	2.92E-05	0.498674482	-1.003829716	0.016206526	1.115759353	down
pos_287	Dorsteniol	0.000633759	0.000759577	0.000686754	0.000826795	0.000846391	0.000890007	0.000888912	0.000154977	0.000261704	0.000221975	0.000297977	0.001223851	0.00077388	0.000508233	0.656732655	-0.606621902	0.203607886	0.598389021	unchanged
pos_288	1-Monopalmitin	0.000578391	0.000316192	0.000598936	0.000684498	0.000899596	0.001200628	0.001711434	0.001498788	0.001986109	0.001786019	0.001858622	0.002237846	0.00071304	0.00184647	2.589572556	1.372713981	4.23E-05	1.341704946	up
pos_289	cis-4-Carboxymethylenebut-2-en-4-olide	0.000150456	0.000126317	4.79E-05	9.96E-05	0.000141561	0.000161191	0.00010785	0.000116499	0.000112459	0.000221064	0.000145298	0.000281679	0.000121169	0.000164142	1.354652179	0.437922472	0.238942412	0.495916045	unchanged
pos_290	"(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside"	4.98E-06	2.73E-05	1.45E-08	7.23E-07	8.80E-07	1.11E-07	1.20E-05	0	0	0	6.78E-06	5.36E-05	5.66E-06	1.21E-05	2.130314613	1.091066509	0.525108526	0.275172293	unchanged
pos_291	Bellendine	1.76E-06	4.23E-06	2.22E-06	3.80E-06	2.94E-06	3.52E-06	5.49E-05	4.80E-06	2.98E-05	3.11E-05	2.22E-05	7.83E-05	3.08E-06	3.68E-05	11.96694786	3.580983339	0.024286552	1.039806809	up
pos_292	Lys Pro Pro Pro	2.57E-05	4.99E-05	3.62E-05	3.22E-05	3.02E-05	0.00012452	5.77E-05	9.62E-05	0.000147872	7.41E-05	4.52E-05	0.00010359	4.98E-05	8.74E-05	1.755943567	0.81224648	0.110795311	0.748523499	unchanged
pos_293	Dihydroartemisinin	3.10E-05	2.27E-05	1.58E-05	3.81E-05	5.32E-05	5.66E-05	0.000151268	6.93E-05	6.24E-05	0.000136765	6.85E-05	8.41E-05	3.62E-05	9.54E-05	2.631979349	1.396148169	0.011289477	1.096661917	up
pos_294	"2,4,5-Trihydroxytoluene"	0.000919538	0.000143713	0.000880225	0.000281213	0.001992192	0.000715957	0.000137553	0.000197424	0.00021051	0.000157262	0.000172375	0.000110392	0.00082214	0.000164253	0.199786931	-2.323465882	0.057207594	0.909953593	unchanged
pos_295	"3-hydroxyadipic acid 3,6-lactone"	0.000738723	0.000837579	0.000505489	0.000617899	0.000827324	0.00084847	0.000639766	0.000642184	0.000791061	0.000494197	0.000697714	0.001147526	0.000729248	0.000735408	1.008447647	0.012136189	0.955757164	0.000737682	unchanged
pos_296	Gly Gly Tyr Thr	0.000614951	0.001178297	0.000526248	0.001498674	0.000469316	0.000895668	0.000448139	0.000503209	0.000297391	0.000256092	0.000362422	0.000335421	0.000863859	0.000367112	0.424967564	-1.234575364	0.029957849	0.970305316	unchanged
pos_297	"1,3,5-TRIMETHOXYBENZENE"	6.98E-06	4.84E-06	5.32E-06	6.45E-06	6.27E-06	1.08E-05	1.51E-05	1.36E-05	1.12E-05	1.66E-05	1.04E-05	1.82E-05	6.78E-06	1.42E-05	2.091384326	1.064458205	0.000940918	1.245176722	up
pos_298	Coumarin	0.003465599	0.000923598	0.003127279	0.000918623	0.003018809	0.002822696	0.000853736	0.00042817	0.000820564	0.00044159	0.000658569	0.000768546	0.002379434	0.000661862	0.278159622	-1.846015081	0.013989938	1.119280511	down
pos_299	4-Acetyl-1-methylcyclohexene	5.03E-06	2.56E-06	7.97E-06	4.72E-06	9.60E-06	7.38E-06	2.54E-06	3.26E-06	4.09E-06	2.26E-06	2.66E-06	1.02E-06	6.21E-06	2.64E-06	0.424730488	-1.235380424	0.017176074	1.015554229	down
pos_300	Gly Tyr Glu Tyr	0.011654262	0.020628807	0.001087412	0.005557418	0.005972302	0.00554116	0.00217037	0.00115143	0.003180891	0.001997772	0.001495313	0.005353957	0.008406893	0.002558289	0.304308484	-1.716393541	0.092224492	0.845097699	unchanged
pos_301	(-)-Corey Lactone Diol	0.00054912	0.000600127	0.000293254	0.000460545	0.000551988	0.000536355	0.000172529	0.000238826	0.000267237	0.000344165	0.000252218	0.000393802	0.000498565	0.00027813	0.557859982	-0.842025031	0.003154305	1.194111821	down
pos_302	KOJIC ACID	0.000128711	0.000107033	5.15E-05	9.26E-05	0.000124151	0.000140823	9.48E-05	0.000113848	0.000117805	0.000187897	0.000132954	0.000269291	0.00010747	0.000152771	1.421518801	0.507433181	0.169465403	0.593992198	unchanged
pos_303	Cyclocalopin F	8.34E-05	9.13E-05	9.26E-05	0.000101182	7.99E-05	9.04E-05	0.000149626	0.000111711	0.000130402	0.000145254	0.00010303	0.000145082	8.98E-05	0.000130851	1.457227101	0.543225731	0.002441068	1.251909343	up
pos_304	2-Ethoxy-1-methyl-4-(1-methylethyl)benzene	0.000125693	0.000119554	2.70E-05	8.55E-05	7.75E-05	0.000132214	6.27E-05	6.38E-05	4.63E-05	5.06E-05	4.01E-05	7.44E-05	9.46E-05	5.63E-05	0.595410294	-0.748043932	0.066352423	0.871369517	unchanged
pos_305	2-(4-Hydroxyphenyl)ethanol	0.001253924	0.000582972	0.000174285	0.000278435	0.001110495	0.000550446	0.00010894	8.21E-05	0.000130888	0.000136764	9.18E-05	0.000175978	0.000658426	0.000121078	0.183890194	-2.443083548	0.029561799	1.061937671	down
pos_306	"2',3',4'-Trihydroxyacetophenone"	3.18E-05	2.72E-05	1.14E-05	1.78E-05	3.29E-05	3.23E-05	1.95E-05	1.95E-05	2.38E-05	1.87E-05	2.96E-05	4.59E-05	2.56E-05	2.62E-05	1.023319753	0.033257009	0.917934893	0.010986595	unchanged
pos_307	3-METHOXYCATECHOL	5.53E-06	5.52E-06	2.78E-06	4.92E-06	6.13E-06	5.65E-06	1.88E-06	3.67E-06	3.30E-06	4.57E-06	3.76E-06	3.93E-06	5.09E-06	3.52E-06	0.691388029	-0.532432471	0.029366207	0.977215239	unchanged
pos_308	15(S)-15-methyl PGF2 isopropyl ester	1.79E-05	1.08E-05	1.24E-05	1.74E-05	1.84E-05	3.53E-05	6.60E-05	3.96E-05	7.65E-05	5.04E-05	3.32E-05	4.21E-05	1.87E-05	5.13E-05	2.742467757	1.455474659	0.003298765	1.205314217	up
pos_309	"Cer(d16:2(4E,6E)/18:1(9Z)(2OH))"	1.18E-05	1.02E-05	1.35E-05	1.75E-05	1.82E-05	2.44E-05	2.84E-05	2.90E-05	3.73E-05	3.83E-05	2.63E-05	5.49E-05	1.59E-05	3.57E-05	2.241925154	1.164738115	0.004267059	1.170817199	up
pos_310	"9,12-Octadecadiynoic Acid"	0.000112469	5.04E-05	3.52E-05	4.83E-05	6.34E-05	8.01E-05	9.76E-05	0.000154072	8.63E-05	6.63E-05	5.85E-05	9.44E-05	6.50E-05	9.29E-05	1.429344031	0.515353203	0.15037704	0.679083874	unchanged
pos_311	Thr Ala Lys Asn	1.94E-05	2.57E-05	2.11E-05	2.27E-05	1.12E-05	1.31E-05	2.11E-05	2.38E-05	1.48E-05	2.38E-05	1.08E-05	1.96E-05	1.89E-05	1.90E-05	1.005449882	0.007841171	0.974495007	0.051548743	unchanged
pos_312	4-(Butoxymethyl)phenol	3.51E-08	1.21E-07	2.30E-08	2.00E-08	1.45E-07	4.22E-08	1.10E-05	1.67E-05	9.00E-06	9.87E-06	6.89E-06	1.15E-05	6.44E-08	1.08E-05	167.893608	7.391403495	0.00050598	1.397084649	up
pos_313	"1,2,4,5-Tetramethylbenzene"	8.70E-05	3.34E-05	2.95E-05	2.73E-05	5.98E-05	4.41E-05	1.75E-05	1.20E-05	1.39E-05	1.51E-05	2.03E-05	2.63E-05	4.68E-05	1.75E-05	0.374022029	-1.418804851	0.02526493	1.072020738	down
pos_314	4-hydroxy Nonenal Alkyne	1.09E-05	7.47E-06	9.42E-06	1.40E-05	1.35E-05	1.75E-05	3.71E-05	2.13E-05	2.17E-05	2.53E-05	2.15E-05	2.73E-05	1.21E-05	2.57E-05	2.1170164	1.082032445	0.00151874	1.244077516	up
pos_315	(R)-S-Lactoylglutathione	0.013205302	0.015608776	0.026299174	0.025640634	0.017522654	0.02464959	0.008161725	0.038701896	0.02588383	0.017690326	0.015011365	0.004396655	0.020487688	0.018307633	0.893591927	-0.162311943	0.709135262	0.109507498	unchanged
pos_316	Carboxy-PTIO	2.76E-05	0.000163228	4.69E-06	9.96E-05	4.59E-06	3.45E-06	9.64E-05	0	6.61E-09	0	8.25E-05	1.86E-06	5.05E-05	3.01E-05	0.596401824	-0.745643425	0.552436563	0.303596476	unchanged
pos_317	[2-(Dimethoxymethyl)-1-heptenyl]benzene	0.000127039	0.000119838	0.000125756	0.000145203	0.000144192	0.000161915	0.000222164	0.000206527	0.000202395	0.000200631	0.000173199	0.00022557	0.000137324	0.000205081	1.493409911	0.578610211	5.70E-05	1.364804561	up
pos_318	"DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)"	3.24E-05	3.75E-05	1.91E-05	3.39E-05	2.54E-05	8.73E-05	6.16E-05	8.15E-05	6.33E-05	0.000171006	3.26E-05	3.95E-05	3.93E-05	7.49E-05	1.907232173	0.931480478	0.160956132	0.659832481	unchanged
pos_319	"6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide"	1.63E-05	1.51E-05	1.93E-05	2.86E-05	3.02E-05	4.13E-05	9.36E-05	7.01E-05	4.07E-05	1.90E-05	1.77E-05	2.49E-05	2.51E-05	4.44E-05	1.763960046	0.818817884	0.200099766	0.692682839	unchanged
pos_320	Cinncassiol C3	6.70E-06	6.60E-06	5.69E-06	6.60E-06	7.59E-06	9.21E-06	1.37E-05	1.31E-05	1.18E-05	1.66E-05	9.36E-06	1.46E-05	7.07E-06	1.32E-05	1.866725728	0.900509973	0.00081115	1.288400977	up
pos_321	Phenylcyclohexylglycolic acid	3.77E-05	3.25E-05	2.98E-05	4.70E-05	3.70E-05	3.83E-05	7.16E-05	6.50E-05	5.44E-05	6.20E-05	5.60E-05	7.11E-05	3.71E-05	6.33E-05	1.709087609	0.773226352	5.44E-05	1.356492661	up
pos_322	Ochratoxin B	0.001627476	0.003718243	0.000414835	0.004568291	0.000824735	0.001545588	0.000369212	0.000421342	0.000391876	0.000247049	0.000683452	0.000363929	0.002116528	0.00041281	0.195041031	-2.358150435	0.053037722	0.915834867	unchanged
pos_323	(R)-N-Methylsalsolinol	6.30E-05	5.10E-05	2.69E-05	3.89E-05	5.66E-05	5.83E-05	7.56E-05	8.43E-05	6.25E-05	9.08E-05	7.59E-05	0.000135528	4.91E-05	8.74E-05	1.780846996	0.832563571	0.01231634	1.03028575	up
pos_324	"1-Methoxy-2,4-dimethylbenzene"	2.17E-06	1.55E-06	2.42E-06	0	4.43E-06	3.60E-06	6.98E-06	6.10E-06	6.14E-06	7.55E-06	6.39E-06	3.68E-06	2.36E-06	6.14E-06	2.598577919	1.377722319	0.001170275	1.202833464	up
pos_325	3-Methylbutyl phenylacetate	2.25E-05	8.77E-06	2.57E-05	1.01E-05	3.29E-05	3.20E-05	5.46E-05	7.35E-05	4.69E-05	2.29E-05	5.44E-05	7.06E-05	2.20E-05	5.38E-05	2.446430798	1.290678474	0.006119096	1.14323472	up
pos_326	Allocortolone	0.000367387	0.000258517	0.000236538	0.000504006	0.00046075	0.000441941	0.000924931	0.000493286	0.00038075	0.000276175	0.000208142	0.000379572	0.00037819	0.000443809	1.173508882	0.230828761	0.581955175	0.334396104	unchanged
pos_327	Betaine aldehyde	5.50E-05	5.57E-05	6.37E-05	6.31E-05	6.53E-05	5.96E-05	9.40E-05	7.10E-05	7.65E-05	6.37E-05	5.93E-05	7.97E-05	6.04E-05	7.40E-05	1.225807332	0.29373224	0.042971251	0.982761525	unchanged
pos_328	PS(20:0/15:0)	0.016642652	0.010976172	0.011155734	0.004385553	0.002679034	0.002587905	0.003776704	0.002727636	0.002523396	0.002398987	0.00168129	0.001897052	0.008071175	0.002500844	0.309848838	-1.690363537	0.062962777	0.91398985	unchanged
pos_329	3-amino-2-naphthoic acid	0.000135572	0.000195767	6.88E-05	0.000131841	0.000103467	0.000137886	0.000174466	0.000113755	0.000109651	0.000106714	0.000136791	0.000160105	0.000128884	0.00013358	1.036438834	0.051634978	0.826272717	0.077042702	unchanged
pos_330	Poriol	0.00061781	0.000369326	0.000373151	0.000713925	0.000957444	0.001121485	0.000247579	0.000129593	0.000137089	0.000111299	0.000204416	0.000367492	0.00069219	0.000199578	0.288328409	-1.794215102	0.009354396	1.120770619	down
pos_331	Glycerophosphocholine	0.00054737	0.000743579	0.000163907	0.000245016	0.000363331	0.000521562	0.00128552	0.000348982	0.000841069	0.000654555	0.001010852	0.002136954	0.000430794	0.001046322	2.428820015	1.280255584	0.060380913	0.83311007	unchanged
pos_332	"(1R,4R,5S)-5-Hydroxyfenchone glucoside"	0.005972359	0.00407197	0.006587902	0.006162268	0.008092959	0.006785338	0.000476436	0.000443954	0.001031443	0.001038277	0.000339303	0.000709057	0.006278799	0.000673078	0.10719853	-3.221642975	8.56E-05	1.399200653	down
pos_333	Ascaridole	0.000202278	0.000138188	0.000169262	0.000169308	0.00025655	0.000231329	4.85E-05	5.34E-05	6.79E-05	7.84E-05	3.17E-05	6.99E-05	0.000194486	5.83E-05	0.299685771	-1.738477507	0.000288771	1.34287059	down
pos_334	Phe Tyr Met Cys	0.002790765	0.004410888	0.007870045	0.004295574	0.002610057	0.002476418	0.000802696	0.00069012	0.000629239	0.000410014	0.000544385	0.000529792	0.004075625	0.000601041	0.14747214	-2.761485662	0.008723167	1.147388424	down
pos_335	alpha-curcumene	0.000179369	2.51E-07	3.59E-06	0	5.21E-05	1.06E-05	1.38E-06	5.42E-07	5.63E-07	1.33E-06	1.35E-06	4.21E-06	4.10E-05	1.56E-06	0.038107672	-4.713774704	0.229689116	0.641013549	unchanged
pos_336	"3,4-Dihydroxyphenyl ethanol"	0.001067151	0.000759222	0.000654388	0.000583595	0.000886751	0.000797062	0.00128089	0.00141033	0.00086584	0.001088462	0.000971565	0.001714378	0.000791362	0.001221911	1.544061253	0.626729985	0.018874757	1.002643057	up
pos_337	"(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan"	0.00314009	0.001040202	0.007910646	0.001586	0.003625099	0.002090893	0.000524377	0.000401448	0.000887064	0.000232131	0.000228221	0.000321627	0.003232155	0.000432478	0.133804839	-2.901797806	0.039641401	0.945430172	unchanged
pos_338	Glycerol 1-(5-hydroxydodecanoate)	0.000287499	0.000210277	0.000214096	0.000222167	0.00030815	0.00031367	0.000379025	0.000352937	0.000345928	0.000390598	0.000463331	0.000507934	0.00025931	0.000406626	1.56810768	0.649024631	0.001500585	1.164476304	up
pos_339	Sodium (±)-2-(4-methoxyphenoxy)propionate	9.88E-05	0.000100281	0.000164171	0.000105727	0.000112187	0.000106991	8.17E-05	7.82E-05	7.42E-05	6.66E-05	6.50E-05	7.77E-05	0.000114695	7.39E-05	0.644408174	-0.6339533	0.00871601	1.105133066	down
pos_340	"7',8'-Dihydro-8'-hydroxyreticulataxanthin"	1.74E-06	8.60E-07	2.31E-06	2.98E-06	3.78E-06	2.24E-06	2.17E-05	3.36E-05	2.40E-05	1.40E-05	7.38E-06	2.98E-05	2.32E-06	2.18E-05	9.378588198	3.229370764	0.004445199	1.27764702	up
pos_341	ALPRENOLOL	1.41E-05	1.48E-05	2.05E-05	2.80E-05	2.88E-05	5.88E-05	7.92E-05	7.24E-05	0.000134063	0.000106519	9.55E-05	0.000161405	2.75E-05	0.000108195	3.933014279	1.975635424	0.001093213	1.254263163	up
pos_342	Precocene II	4.48E-05	4.77E-05	4.80E-05	5.10E-05	5.45E-05	5.33E-05	8.40E-05	7.68E-05	7.43E-05	7.11E-05	6.69E-05	7.82E-05	4.99E-05	7.52E-05	1.507927833	0.592567385	1.47E-05	1.416986374	up
pos_343	cyclohexylammonium	4.61E-06	6.07E-06	6.87E-06	5.09E-06	6.99E-06	7.10E-06	8.50E-06	7.22E-06	8.25E-06	6.75E-06	7.48E-06	8.89E-06	6.12E-06	7.85E-06	1.282220866	0.358644791	0.011079565	1.067025824	up
pos_344	(+)-alpha-thujene	0	0	0	0	0	0	5.64E-06	1.75E-05	2.98E-06	4.08E-06	5.88E-06	6.19E-06	0	7.05E-06	Inf	Inf	0.022148444	1.096207345	up
pos_345	2-Acetylfuran	3.52E-05	2.18E-05	0.000134027	3.99E-05	4.96E-05	3.70E-05	3.34E-05	2.86E-05	4.88E-05	1.69E-05	3.00E-05	1.42E-05	5.29E-05	2.86E-05	0.541038632	-0.886196484	0.212567489	0.553986105	unchanged
pos_346	2-Pentylfuran	4.51E-06	3.54E-07	4.99E-06	1.78E-06	1.01E-05	7.47E-06	0	1.70E-06	8.00E-07	1.31E-06	4.86E-07	0	4.87E-06	7.17E-07	0.147239489	-2.763763445	0.035902035	0.964601379	unchanged
pos_347	4-n-Butylphenol	5.97E-06	5.64E-07	4.69E-06	9.46E-07	8.19E-06	7.87E-06	0	8.21E-07	9.10E-07	0	0	0	4.71E-06	2.88E-07	0.061291259	-4.028174858	0.022016097	1.052239538	down
pos_348	O-7-Angelylheliotridine	0.001713355	0.001373355	0.000245538	0.000969181	0.000722529	0.001017605	0.004154698	0.002635039	0.00168266	0.003189538	0.00869561	0.001883903	0.001006927	0.003706908	3.681406591	1.880257096	0.051612227	0.855577547	unchanged
pos_349	D-Tyrosine t-butyl ester	5.90E-06	1.28E-05	8.70E-07	2.49E-06	8.99E-07	1.49E-06	5.13E-05	1.55E-05	1.79E-05	0.000202174	6.88E-05	0.000320017	4.08E-06	0.000112611	27.57793153	4.785442347	0.08227116	0.800658885	unchanged
pos_350	Cymorcin monoglucoside	0.000777857	0.000404171	0.000683472	0.000497008	0.000812688	0.000721703	0.0001162	0.000120494	0.000156784	0.000145633	0.000134948	0.000145366	0.000649483	0.000136571	0.210276211	-2.249642454	0.000552203	1.367798332	down
pos_351	Santene hydrate	5.12E-06	4.15E-06	6.20E-06	5.49E-06	8.69E-06	6.65E-06	0	0	0	0	0	0	6.05E-06	0	0	#NAME?	0.000216629	1.390415063	down
pos_352	3-Butyn-1-al	8.42E-06	7.74E-06	1.56E-05	1.28E-05	1.23E-05	1.21E-05	2.25E-05	2.91E-05	2.02E-05	1.84E-05	1.85E-05	8.58E-06	1.15E-05	1.96E-05	1.70106136	0.766435182	0.030884346	1.01747826	up
pos_353	Arlatin	9.94E-06	7.26E-06	6.90E-06	1.32E-05	1.38E-05	1.66E-05	3.57E-05	2.07E-05	1.82E-05	2.80E-05	1.79E-05	2.20E-05	1.13E-05	2.37E-05	2.102788355	1.072303651	0.005103067	1.161822316	up
pos_354	alpha-Valerenol	9.41E-06	1.02E-05	8.40E-06	1.41E-05	1.53E-05	3.36E-05	4.09E-05	3.57E-05	8.25E-05	6.13E-05	5.80E-05	9.66E-05	1.52E-05	6.25E-05	4.120500536	2.042819599	0.003008127	1.196715629	up
pos_355	Dipyridamole	0.000574497	0.000402071	0.000205248	0.000205815	0.000193958	0.00027689	0.001092784	0.001824814	0.000917148	0.00021731	0.000250116	0.000652672	0.000309746	0.000825807	2.666076262	1.414718049	0.090801755	0.855602105	unchanged
pos_356	Patulin	2.38E-05	2.00E-05	5.20E-05	3.67E-05	3.62E-05	3.65E-05	7.14E-05	9.83E-05	7.14E-05	7.32E-05	6.03E-05	3.90E-05	3.42E-05	6.89E-05	2.015199435	1.010922623	0.005142749	1.184063753	up
pos_357	1-O-Sinapoyl--D-glucose	0.000782382	0.001303237	0.00039641	0.000626864	0.000858102	0.000722498	0.000931407	0.000913857	0.000926978	0.000823692	0.00079216	0.000890707	0.000781582	0.0008798	1.12566557	0.170778273	0.466143012	0.323977864	unchanged
pos_358	"2-Cyclopentene-1,4-dione"	2.00E-05	1.51E-05	1.91E-05	1.25E-05	2.14E-05	2.10E-05	1.13E-05	1.48E-05	1.47E-05	2.63E-05	1.89E-05	4.67E-05	1.82E-05	2.21E-05	1.215995157	0.282137483	0.506569053	0.28380623	unchanged
pos_359	"3,4-Dimethyl-5-pentyl-2-furanheptanoic acid"	0.00116315	0.001013357	0.000247133	0.000764103	0.000718202	0.00117218	0.000670853	0.000676659	0.000488693	0.000504213	0.000412309	0.000779089	0.000846354	0.000588636	0.695496128	-0.523885612	0.141963599	0.705557653	unchanged
pos_360	Debneyol	0.000854228	0.000300815	0.000271237	0.000267617	0.000543212	0.00039861	0.000151078	9.35E-05	0.00013745	0.000138746	0.000180203	0.000220029	0.000439287	0.000153508	0.349448653	-1.516847607	0.027371157	1.066463376	down
pos_361	3-propyl acrolein	4.28E-06	2.05E-06	1.06E-06	1.91E-07	2.67E-06	1.56E-06	9.22E-06	1.12E-05	4.98E-06	5.08E-06	6.43E-06	1.21E-05	1.97E-06	8.16E-06	4.141835096	2.050270115	0.002989401	1.206826461	up
pos_362	Carvyl propionate	3.08E-05	1.03E-05	3.97E-05	1.28E-05	5.16E-05	4.68E-05	0.000233236	0.000298625	0.000185908	0.000131076	0.000225562	0.000155956	3.20E-05	0.000205061	6.409485862	2.680208635	0.000586222	1.355780098	up
pos_363	Gly Ser Ser Asp	0.000171747	0.000125335	0.000424039	0.000224673	0.000182378	0.000159725	0.000124561	0.000285275	0.000157804	0.00011825	0.0001264	0.000120161	0.000214649	0.000155408	0.724010361	-0.465917752	0.280998308	0.439048945	unchanged
pos_364	3-(Carboxymethylamino)propanoic acid	8.65E-06	1.03E-05	1.22E-05	1.11E-05	1.28E-05	1.14E-05	1.55E-05	1.53E-05	1.46E-05	1.49E-05	1.39E-05	1.39E-05	1.11E-05	1.47E-05	1.324731664	0.405700158	0.000981134	1.314086059	up
pos_365	"8-Deoxy-11,13-dihydroxygrosheimin"	8.39E-05	8.95E-05	9.07E-05	9.66E-05	8.06E-05	8.97E-05	0.000142205	0.000116485	0.000125343	0.000138273	8.99E-05	0.000135674	8.85E-05	0.000124653	1.408362262	0.494018475	0.005020345	1.228091259	up
pos_366	Anisoxide	2.79E-05	3.07E-05	3.47E-05	3.39E-05	3.91E-05	3.26E-05	6.11E-05	5.43E-05	4.72E-05	4.76E-05	4.74E-05	5.35E-05	3.31E-05	5.19E-05	1.565721241	0.64682738	8.42E-05	1.36893274	up
pos_367	"4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone"	1.17E-06	1.08E-05	6.27E-06	1.15E-05	4.42E-06	4.70E-06	4.34E-05	3.61E-05	3.45E-05	4.47E-05	5.06E-05	8.42E-05	6.47E-06	4.89E-05	7.555674701	2.91756059	0.001932425	1.26733342	up
pos_368	trans-EKODE-(E)-Ib	0.000366995	0.00034539	7.33E-05	0.000275281	0.000246275	0.000322124	0.000199846	0.000202851	0.000135698	0.000195619	0.0001325	0.000265281	0.000271558	0.000188632	0.694629381	-0.52568466	0.1278082	0.734381691	unchanged
pos_369	"3,4-Epoxy-6Z,9Z-eicosadiene"	0.000589536	0.002283767	0.000616229	0.000577232	0.000460286	0.006160321	0.001363231	0.002089185	0.008075747	0.001963365	0.001279881	0.00391564	0.001781229	0.003114508	1.748516924	0.80613176	0.366423645	0.440004275	unchanged
pos_370	Ile Thr	0.001090742	0.000448345	0.000219615	0.000283021	0.002008777	0.000300641	0.000314207	0.000298767	0.000405016	0.000255232	0.000282313	0.000504922	0.00072519	0.000343409	0.473544011	-1.078429579	0.244124663	0.598723533	unchanged
pos_371	"5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone"	0.000619955	0.000278589	0.001311533	0.000312879	0.000854321	0.000575775	0.000149467	0.000259483	0.000280358	0.000140918	0.000115895	0.000147618	0.000658842	0.00018229	0.276681996	-1.853699324	0.028075744	0.989837548	unchanged
pos_372	Ala Trp Leu Ile	0.000122255	0.000106706	8.96E-05	7.90E-05	4.34E-05	2.97E-05	3.34E-05	2.26E-05	2.72E-05	1.39E-05	7.66E-06	7.47E-06	7.85E-05	1.87E-05	0.238589794	-2.067395765	0.008248124	1.157327518	down
pos_373	"PS(20:4(5Z,8Z,11Z,14Z)/21:0)"	0.000498198	0.000226305	0.00018161	6.46E-05	0.000110868	3.81E-05	9.16E-05	6.13E-05	9.47E-05	0.000160207	0.000175317	0.000211475	0.000186614	0.000132445	0.709723258	-0.49467151	0.483285391	0.422924396	unchanged
pos_374	"1',2'-Dihydro-1',2'-dihydroxy-4-ketotoruelene/ (4-Ketophleixanthophyll)"	0	0	3.79E-06	0	5.80E-07	0	5.77E-05	0.000233274	9.37E-05	5.65E-05	4.73E-05	0.00010484	7.29E-07	9.89E-05	135.6375077	7.083612371	0.018218796	1.129691323	up
pos_375	"1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone"	2.07E-06	0	0	0	6.05E-07	0	5.05E-06	2.41E-05	3.93E-06	0	2.74E-06	5.02E-06	4.45E-07	6.81E-06	15.30401464	3.935838254	0.132862633	0.777335066	unchanged
pos_376	8-Hydroxycarvotanacetone	2.55E-05	1.54E-05	1.02E-05	5.44E-06	1.14E-05	1.30E-05	2.42E-05	2.92E-05	1.65E-05	1.88E-05	1.19E-05	2.09E-05	1.35E-05	2.02E-05	1.502883853	0.587733518	0.096856224	0.742415234	unchanged
pos_377	"12-METHOXY-4,4-BISNOR-5-8,11,13-PODOCARPATRIEN-3-OL"	0	7.32E-07	0	0	0	0	0	0	0	1.42E-05	0	6.65E-06	1.22E-07	3.48E-06	28.52281104	4.834044267	0.222299438	0.562242904	unchanged
pos_378	"(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one"	0.000532876	7.64E-06	0.003757307	2.01E-06	3.67E-05	3.50E-05	0.005695314	2.90E-05	0.005004224	1.57E-05	2.17E-05	9.40E-06	0.000728593	0.001795884	2.464865681	1.301509031	0.430342894	0.422493425	unchanged
pos_379	2-Protocatechoylphloroglucinolcarboxylate	0.000193053	0.000145629	0.000117133	0.000145342	0.000218063	0.00018754	0.000339258	0.000374897	0.000339751	0.000395686	0.000430164	0.000434078	0.000167794	0.000385639	2.298293391	1.200562979	2.87E-06	1.373110071	up
pos_380	Capillone	4.73E-05	7.77E-06	6.17E-06	4.86E-06	1.10E-05	9.16E-06	2.10E-05	1.63E-05	1.36E-05	1.16E-05	1.41E-05	1.72E-05	1.44E-05	1.56E-05	1.087811668	0.121428805	0.859202787	0.036110915	unchanged
pos_381	Gly Gly Asp Tyr	0.001202343	0.006084319	0.001128622	0.004784001	0.000852408	0.001347737	0.005581759	0.00077473	0.000542066	0.000512201	0.003748318	0.000423467	0.002566572	0.001930423	0.752140817	-0.410925304	0.632248215	0.228557878	unchanged
pos_382	9(R)-HODE	0	0	0	0	0	0	1.47E-05	1.00E-05	1.46E-05	1.40E-05	1.13E-05	1.70E-05	0	1.36E-05	Inf	Inf	4.53E-05	1.430353331	up
pos_383	"5,6,7,8-Tetrahydro-2,4-dimethylquinoline"	1.66E-05	1.57E-05	1.78E-05	2.02E-05	1.85E-05	1.99E-05	2.95E-05	2.37E-05	2.89E-05	2.71E-05	1.96E-05	2.62E-05	1.81E-05	2.58E-05	1.424376196	0.510330231	0.002364646	1.252583909	up
pos_384	"DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]"	0.000655376	0.000146838	0.000348239	0.000179011	0.000673797	0.000332573	0.000570987	0.000582029	0.000741518	0.000413452	0.000491417	0.000760036	0.000389305	0.00059324	1.523841773	0.607713109	0.096008647	0.738504661	unchanged
pos_385	Exemestane	0.000161759	0.000162269	0.000160491	0.000168693	0.000172269	0.000173965	0.000260382	0.000226028	0.000226046	0.000208836	0.000191039	0.000227915	0.000166574	0.000223374	1.340989514	0.423297956	0.001375091	1.333780887	up
pos_386	Asn Pro Tyr	3.33E-05	1.76E-05	4.37E-05	2.14E-05	2.72E-05	2.83E-05	1.60E-06	9.86E-06	7.66E-06	1.28E-06	1.42E-06	1.18E-06	2.86E-05	3.83E-06	0.134175085	-2.897811297	0.000588694	1.290035233	down
pos_387	4-Hydroxymethylcatechol	3.66E-05	2.33E-05	3.44E-05	2.18E-05	4.01E-05	3.26E-05	3.33E-05	4.01E-05	4.61E-05	3.62E-05	4.30E-05	3.78E-05	3.15E-05	3.94E-05	1.252752184	0.325101053	0.054021165	0.826534289	unchanged
pos_388	Ala Gly Ala Tyr	0.001304871	0.001885464	0.000180532	0.000710262	0.000886867	0.000741626	0.003847015	0.001229354	0.001704072	0.001931355	0.001159136	0.010823315	0.000951604	0.003449041	3.624451725	1.857762773	0.164568147	0.659735863	unchanged
pos_389	3-Buten-1-amine	3.01E-05	4.81E-05	0	9.14E-06	1.79E-05	1.34E-05	4.60E-05	6.41E-06	1.64E-05	1.38E-05	8.27E-06	0.000208858	1.98E-05	4.99E-05	2.526412771	1.337090369	0.399826627	0.390747982	unchanged
pos_390	Quinone	1.14E-05	1.12E-05	7.74E-06	8.52E-06	1.28E-05	1.16E-05	1.38E-05	2.98E-05	4.84E-05	1.51E-05	4.25E-05	3.50E-05	1.05E-05	3.08E-05	2.920517135	1.546223849	0.016733014	1.065899307	up
pos_391	"6-Methyl-3,5-heptadien-2-one"	8.76E-06	8.75E-06	2.03E-06	1.03E-05	5.47E-06	7.51E-06	0	0	0	6.05E-07	0	0	7.13E-06	1.01E-07	0.014134833	-6.144601344	0.002087698	1.304503268	down
pos_392	3-Methylcrotonaldehyde	1.53E-06	7.15E-07	7.88E-07	6.12E-07	2.19E-06	1.57E-06	2.13E-06	2.08E-06	2.97E-06	3.31E-06	4.64E-06	2.33E-06	1.23E-06	2.91E-06	2.355642153	1.236120395	0.006973709	1.039343097	up
pos_393	D-glycero-D-manno-Heptose 7-phosphate	6.73E-05	0.000257599	2.43E-05	0.000282988	7.69E-05	0.000236485	0.000242521	4.79E-05	0.000127719	0.000167782	7.94E-05	0.000169085	0.000157607	0.000139067	0.88236648	-0.180550109	0.741719493	0.137575371	unchanged
pos_394	Ala Phe Lys Lys	2.94E-05	1.19E-05	8.70E-06	9.18E-06	5.01E-06	1.22E-06	0.000809315	0.001056548	0.00059931	6.50E-05	0.000112732	0.000179578	1.09E-05	0.000470417	43.18371705	5.432415524	0.041419221	1.027616598	up
pos_395	"1,25-Dihydroxyvitamin D3 3-glycoside"	0.000320371	0.000218138	6.06E-05	0.000233325	0.000233953	0.000343006	0.001522952	0.001629258	0.000877627	0.000899989	0.000480615	0.00100123	0.000234892	0.001068612	4.549367804	2.185666077	0.00454306	1.259383487	up
pos_396	His Lys Met	0.000140044	0.00015272	0.000101086	0.000146941	9.35E-05	9.38E-05	0.000344016	0.000407766	0.000261635	0.000399222	0.000184175	0.000315735	0.000121344	0.000318758	2.626903461	1.393363182	0.001631777	1.294728982	up
pos_397	Eruberin C	0.001025718	0.001016256	0.000585607	0.000770785	0.000726586	0.000802753	0.002015649	0.001127848	0.001003661	0.001619272	0.001357983	0.001769072	0.000821284	0.001482248	1.804792299	0.851832817	0.006852555	1.114229664	up
pos_398	Eremopetasinorol	1.32E-05	9.46E-06	1.96E-05	1.12E-05	2.72E-05	2.69E-05	0.000135296	0.000152712	0.000114684	0.000102797	0.000169202	0.000104343	1.79E-05	0.000129839	7.239702528	2.85593042	8.37E-05	1.400264004	up
pos_399	"1,4,5-Naphthalenetriol"	0.000654364	0.000445836	0.000757357	0.000607617	0.000790363	0.00058598	0.000126046	0.000138464	0.000143787	0.000123408	0.000122454	0.0001357	0.000640253	0.000131643	0.205611163	-2.282009499	0.000166802	1.397061439	down
pos_400	Niazirinin	0.00577232	0.01113585	0.001443397	0.008270007	0.002576878	0.004553109	0.001870136	0.000790984	0.001183624	0.000662586	0.003475857	0.000910266	0.00562526	0.001482242	0.263497546	-1.924138568	0.036726823	0.983832304	unchanged
pos_401	"2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone"	0.000461555	0.000257272	0.00034069	0.000197595	0.000263352	0.000309745	0.000583532	0.000583511	0.000836942	0.000426914	0.000650538	0.000826332	0.000305035	0.000651295	2.135148603	1.094336482	0.00164004	1.204864596	up
pos_402	Castillene D	2.35E-05	2.08E-05	2.76E-05	2.23E-05	2.26E-05	2.12E-05	1.66E-05	1.50E-05	1.25E-05	1.41E-05	9.99E-06	1.65E-05	2.30E-05	1.41E-05	0.612690926	-0.706768611	0.000102355	1.284432426	down
pos_403	Conhydrinone	4.56E-06	5.87E-06	4.80E-06	5.88E-06	4.61E-06	8.92E-06	1.60E-05	8.77E-06	1.46E-05	9.14E-06	1.42E-05	8.83E-06	5.77E-06	1.19E-05	2.066973949	1.047520206	0.004638766	1.162894449	up
pos_404	Cerulenin	8.23E-06	5.45E-06	5.88E-06	6.80E-06	7.35E-06	6.73E-06	8.07E-06	7.72E-06	8.18E-06	9.60E-06	8.08E-06	9.09E-06	6.74E-06	8.46E-06	1.25419872	0.326765952	0.007700278	1.043730884	up
pos_405	"5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one"	7.57E-06	5.56E-06	1.09E-05	1.54E-05	1.02E-05	1.24E-05	3.34E-05	2.55E-05	2.83E-05	3.01E-05	2.14E-05	3.30E-05	1.03E-05	2.86E-05	2.767597991	1.468634399	2.40E-05	1.389657187	up
pos_406	Thymol	3.91E-05	2.02E-05	2.58E-05	2.66E-05	4.05E-05	3.93E-05	1.49E-05	1.64E-05	1.31E-05	3.20E-05	4.43E-06	1.18E-05	3.20E-05	1.54E-05	0.483471179	-1.048498205	0.009536207	1.047904176	down
pos_407	Dihydrocarvone	3.79E-06	0	0	0	0	0	0	0	0	0	0	0	6.32E-07	0	0	#NAME?	0.363217468	0.500146359	unchanged
pos_408	4-Hydroxymethylphenylhydrazine	0.00033715	0.000322197	4.34E-06	3.80E-05	0.000103887	7.96E-05	9.55E-05	0.000103136	0.000113335	0.0001221	0.000131658	0.001542292	0.00014752	0.000351332	2.381589065	1.251924502	0.440312929	0.34373758	unchanged
pos_409	1-Pyrroline	0.053110608	0.065885647	0.009777914	0.04181372	0.050654861	0.047904	0.068487832	0.067088299	0.084292171	0.05860887	0.06788925	0.109146061	0.044857792	0.075918747	1.692431669	0.759097587	0.016115928	0.965899302	unchanged
pos_410	5-Tridecynoic acid	0.000228043	0.000240485	0.000217436	0.000291788	0.000278379	0.000457603	0.000585977	0.000504175	0.001050281	0.000734249	0.000662729	0.001095294	0.000285622	0.000772117	2.703281206	1.434711594	0.00341151	1.202762127	up
pos_411	N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine	0.005870162	0.006270965	0.000540447	0.001931017	0.004153338	0.004020909	0.000232569	0.000233441	0.000425585	0.000257852	0.00022309	0.001165791	0.003797806	0.000423055	0.111394511	-3.16624995	0.013121487	1.160805964	down
pos_412	"8-Hydroxy-5,6-octadienoic acid"	0.000278483	6.71E-05	0.000323013	0.000432719	0.000685437	0.000330124	0.000107059	0.000162109	0.000159658	2.84E-05	0.00018042	7.78E-05	0.000352818	0.000119251	0.337995775	-1.564922883	0.036101117	0.939017824	unchanged
pos_413	Lys Lys Val His	2.53E-05	1.82E-05	2.72E-05	3.66E-05	3.18E-05	4.53E-05	8.16E-05	7.88E-05	0.00012164	8.09E-05	6.94E-05	8.61E-05	3.07E-05	8.64E-05	2.810358632	1.490754245	0.000206237	1.349677395	up
pos_414	DIHYDROFISSINOLIDE	4.99E-05	2.56E-05	1.60E-05	6.25E-05	0.000144311	9.96E-05	0.000106363	7.94E-05	9.80E-05	8.68E-05	7.75E-05	0.000185791	6.63E-05	0.00010563	1.593049405	0.67179101	0.15947974	0.641891931	unchanged
pos_415	"2,3-dinor Fluprostenol"	3.26E-05	5.47E-06	2.52E-05	4.06E-06	2.36E-05	2.25E-05	0	1.39E-06	0	0	0	8.95E-07	1.89E-05	3.81E-07	0.020181701	-5.630808429	0.010878758	1.162733914	down
pos_416	RETUSOQUINONE	4.46E-05	1.45E-07	4.35E-07	2.32E-07	3.63E-06	1.03E-06	4.35E-07	5.19E-07	4.20E-07	4.93E-07	2.40E-08	1.15E-06	8.34E-06	5.06E-07	0.060729004	-4.041470476	0.330289768	0.53115753	unchanged
pos_417	Capillanol	5.21E-05	9.08E-07	3.45E-07	3.06E-07	1.44E-05	6.67E-07	2.10E-06	3.83E-06	1.82E-06	1.09E-06	1.22E-06	5.06E-06	1.14E-05	2.52E-06	0.220183722	-2.183220277	0.339019494	0.522159011	unchanged
pos_418	Methyl trans-p-methoxycinnamate	0.00014383	9.74E-05	6.77E-05	7.11E-05	9.12E-05	0.000108696	0.000172841	0.000156073	0.000127943	0.000128975	0.000126766	0.000276863	9.67E-05	0.00016491	1.706123432	0.770722024	0.034589302	0.921953326	unchanged
pos_419	Leu Pro	0.001085941	0.000765435	0.000534223	0.000669781	0.001254999	0.000913696	0.000815617	0.000933965	0.001346841	0.001154975	0.001270592	0.001240178	0.000870679	0.001127028	1.294423704	0.372309932	0.09620591	0.676967261	unchanged
pos_420	N2-Acetyl-L-aminoadipate semialdehyde	0.000325864	0.000279165	0.000183724	0.000224227	0.000350747	0.000327017	0.000283555	0.000293211	0.000310044	0.000325081	0.000251854	0.000392404	0.000281791	0.000309358	1.097829894	0.13465453	0.427494189	0.340930368	unchanged
pos_421	"Methyl (2E,6Z)-dodecadienoate"	0.000494947	0.000484869	0.000526678	0.000571637	0.000616268	0.000920116	0.00112188	0.000975412	0.001914257	0.00123408	0.00118451	0.00181745	0.000602419	0.001374598	2.281796777	1.190170307	0.003289544	1.200081939	up
pos_422	Bassic acid	2.97E-05	2.07E-05	9.01E-05	1.90E-05	1.68E-05	1.80E-05	0.002409959	5.68E-05	0.003578453	4.08E-05	3.53E-05	3.23E-05	3.24E-05	0.001025604	31.67217567	4.985144069	0.181720251	0.680578303	unchanged
pos_423	Mevaldate	0.001129331	0.001141585	0.000717845	0.000885218	0.001415292	0.001250753	0.001352684	0.001552507	0.001288059	0.00124264	0.001570499	0.001953931	0.001090004	0.001493387	1.370074338	0.454254173	0.021816836	0.93261666	unchanged
pos_424	1400W	1.10E-05	2.06E-05	1.62E-06	5.52E-06	1.77E-05	5.65E-05	3.83E-06	1.58E-05	1.29E-06	1.44E-05	5.53E-08	1.81E-05	1.88E-05	8.92E-06	0.473863876	-1.07745541	0.295476222	0.486701927	unchanged
pos_425	N-((5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl)carbamoyl)-4-methylbenzenesulfonamide	0.002167803	0.004072097	0.000893888	0.007113009	0.002236539	0.00350636	0.005312876	0.00203333	0.001908255	0.003223758	0.011490317	0.009387537	0.003331616	0.005559346	1.668663436	0.738692997	0.268244674	0.475121564	unchanged
pos_426	Soyasapogenol B 24-O-b-D-glucoside	0.00028051	0.000357059	0.000150979	0.000566251	0.0002842	0.000476753	0.00123678	0.000377686	0.000509076	0.001257725	0.000407876	0.001003462	0.000352625	0.000798768	2.265202688	1.179640147	0.045984214	0.916614429	unchanged
pos_427	Nitramine	7.21E-07	1.10E-06	2.59E-07	8.26E-07	1.28E-06	3.27E-06	2.91E-06	1.38E-06	8.54E-06	4.11E-06	3.63E-06	6.52E-06	1.24E-06	4.52E-06	3.632342074	1.860900074	0.02558626	0.976290583	unchanged
pos_428	Onchidal	4.29E-05	4.41E-05	2.84E-05	3.94E-05	4.77E-05	6.24E-05	5.74E-05	3.80E-05	4.69E-05	5.61E-05	3.79E-05	5.81E-05	4.41E-05	4.91E-05	1.11139819	0.152375796	0.429607792	0.367874833	unchanged
pos_429	Asp Asp Asp	0.006447369	0.003215749	0.00230125	0.003061992	0.005836029	0.004850166	0.008746194	0.014251226	0.005473377	0.011287628	0.008652694	0.004968579	0.004285426	0.008896616	2.076016823	1.053818135	0.022274051	1.00090347	up
pos_430	2-cis Eicosenoic Acid	0.005874852	0.008272119	0.001650491	0.00477399	0.003251988	0.0046053	0.008283315	0.004850184	0.006623165	0.008322019	0.010616368	0.007558682	0.004738124	0.007708955	1.627005979	0.702219553	0.034764415	0.832243957	unchanged
pos_431	"Biphenyl-2,3-diol"	0.00045686	0.000238151	0.000537764	0.000355001	0.000618474	0.000490099	0.00016375	0.000256146	0.000218014	0.000242795	0.000225739	0.00022768	0.000449392	0.000222354	0.49478924	-1.015113969	0.00835909	1.148862959	down
pos_432	6-Phosphogluconic acid	0.000657275	0.000551902	0.00031165	0.000536534	0.000646393	0.000917786	0.000448513	0.000511945	0.000402095	0.000514143	0.00050246	0.00058807	0.00060359	0.000494538	0.81932708	-0.287488596	0.245954093	0.575751641	unchanged
pos_433	"Pentanoic acid, 4-amino-, (R)-; Valeric acid, 4-amino-, (R)-(+)-; (R)-(+)-4-Aminovaleric acid; (R)-4-Aminopentanoic acid"	0.000110382	5.45E-05	4.45E-05	5.83E-05	0.00016014	0.000309268	6.17E-05	0.000105383	6.64E-05	4.84E-05	0.000124518	0.00013658	0.000122851	9.05E-05	0.736602317	-0.44104216	0.488181997	0.337466578	unchanged
pos_434	9(S)-HODE	0.000137891	0.000122195	5.91E-05	0.000136941	0.000126261	0.000205999	0.000162936	0.000128156	0.000107935	9.23E-05	7.26E-05	0.00015018	0.000131391	0.000119027	0.905898346	-0.142578925	0.615270881	0.203710527	unchanged
pos_435	13S-HpOTrE(gamma)	0.000665011	0.000416467	0.000112406	0.000339685	0.000367177	0.000369943	0.000223215	0.000170038	0.00014653	0.00015995	0.000149693	0.000301975	0.000378448	0.0001919	0.507070902	-0.979740606	0.048975853	0.947052806	unchanged
pos_436	PG(13:0/12:0)	0.000279658	0.000255973	0.000294068	0.000346677	0.000346816	0.000417493	0.0006695	0.000553066	0.000588557	0.000577851	0.000435868	0.000551348	0.000323448	0.000562698	1.739689494	0.798829832	0.000144878	1.345465064	up
pos_437	"4E,6E,11Z-Hexadecatrienal"	7.48E-06	5.35E-06	6.94E-05	7.37E-06	7.16E-06	1.06E-05	7.12E-05	1.91E-05	7.39E-05	1.54E-05	1.53E-05	2.08E-05	1.79E-05	3.59E-05	2.00969981	1.006980021	0.272335643	0.561324827	unchanged
pos_438	4-oxo-2-Nonenal	4.54E-05	2.59E-05	2.01E-05	2.56E-05	3.25E-05	3.10E-05	7.32E-05	7.45E-05	5.11E-05	8.35E-05	8.98E-05	0.000109261	3.01E-05	8.02E-05	2.667373667	1.415419943	0.000698487	1.261158626	up
pos_439	Hydralazine	0.000703465	0.000620695	3.75E-05	0.000114835	0.000284914	0.000247477	0.000197282	0.000169988	0.000226883	0.000335644	0.000235852	0.003246236	0.000334816	0.000735314	2.196176478	1.13499399	0.46871176	0.322512661	unchanged
pos_440	N-Methylpelletierine	8.32E-06	1.42E-05	1.06E-05	9.07E-06	8.60E-06	3.03E-05	1.41E-05	1.99E-05	3.64E-05	1.63E-05	1.15E-05	2.52E-05	1.35E-05	2.06E-05	1.521594945	0.605584358	0.196929909	0.620316523	unchanged
pos_441	Leupeptin	1.93E-05	2.06E-05	2.29E-05	2.67E-05	2.44E-05	3.18E-05	5.95E-05	6.25E-05	7.06E-05	4.44E-05	3.72E-05	5.77E-05	2.43E-05	5.53E-05	2.27709739	1.187195996	0.000939012	1.337154066	up
pos_442	Capsi-amide	0.000426981	0.00043529	0.000452177	0.000534666	0.000558333	0.000684829	0.000944551	0.000843006	0.000958907	0.000831607	0.000757167	0.000975767	0.000515379	0.000885167	1.717506086	0.780315211	4.80E-05	1.362805816	up
pos_443	4-Biphenylamine	9.78E-06	9.97E-06	8.65E-06	1.04E-05	1.09E-05	1.25E-05	1.49E-05	1.32E-05	1.52E-05	1.44E-05	1.09E-05	1.25E-05	1.04E-05	1.35E-05	1.306415532	0.385613849	0.004424228	1.155387629	up
pos_444	Toxol	0.000129163	4.32E-05	3.29E-05	3.41E-05	3.45E-05	3.00E-05	2.32E-05	2.02E-05	2.07E-05	1.77E-05	2.38E-05	1.93E-05	5.06E-05	2.08E-05	0.41064569	-1.28403394	0.117735754	0.808609133	unchanged
pos_445	Protoanemonin	8.75E-05	7.66E-05	0.000149091	0.000120376	0.000119358	0.00012042	0.000207451	0.000260701	0.000196394	0.00018872	0.000172697	0.000117804	0.000112229	0.000190628	1.698560654	0.764312736	0.007244243	1.162288575	up
pos_446	Galegine	9.80E-06	1.32E-05	4.96E-09	7.60E-07	2.41E-06	9.99E-07	2.64E-05	5.95E-06	1.33E-05	1.33E-05	5.01E-06	8.91E-05	4.53E-06	2.55E-05	5.635538038	2.494553354	0.171847714	0.645205355	unchanged
pos_447	Coformycin	0.000723717	0.000725916	0.000335923	0.000551619	0.000652324	0.000824885	0.000427431	0.000406348	0.000553587	0.000445404	0.000556348	0.000685632	0.000635731	0.000512458	0.806093233	-0.310981384	0.1732479	0.681473342	unchanged
pos_448	(¡À)9-HpODE	7.55E-05	7.38E-05	7.68E-06	4.88E-05	5.14E-05	6.49E-05	2.42E-05	1.97E-05	1.62E-05	1.55E-05	3.91E-06	2.87E-05	5.37E-05	1.80E-05	0.336328581	-1.572056712	0.016055831	1.084020714	down
pos_449	4-Dodecylphenol	0.000316559	0.000418321	0.000288119	0.000439577	0.000314008	0.000683176	0.0009828	0.000631947	0.001405323	0.000739005	0.001202616	0.000800264	0.00040996	0.000960326	2.342487474	1.228041333	0.004305652	1.15296978	up
pos_450	Isomytiloxanthin	1.02E-05	8.22E-05	1.86E-06	6.07E-05	5.12E-06	5.35E-05	0.000218922	0.00016857	8.98E-05	0.000198457	8.95E-05	0.000212372	3.56E-05	0.00016294	4.574975835	2.193764123	0.001871928	1.229833663	up
pos_451	Artelastochromene	0.00234182	0.003622473	0.000408743	0.001212998	0.001261764	0.001362537	0.000829377	0.000783704	0.001522954	0.001299906	0.00136661	0.001725177	0.001701722	0.001254621	0.737265613	-0.439743626	0.390666735	0.484370193	unchanged
pos_452	"2,4-Dimethyl-2E,4E-hexadienal"	6.91E-06	2.08E-06	3.29E-06	3.20E-06	5.53E-06	4.39E-06	6.35E-06	6.25E-06	4.33E-06	6.35E-06	7.48E-06	9.67E-06	4.23E-06	6.74E-06	1.590761824	0.669717845	0.033469904	0.863633938	unchanged
pos_453	"Mesquitol-4beta-ol 3,8-dimethyl ether"	6.93E-06	0	9.15E-06	0	0	0	4.45E-05	8.03E-05	3.04E-05	5.40E-05	2.90E-05	4.99E-06	2.68E-06	4.05E-05	15.13341123	3.919665318	0.014574993	1.136128061	up
pos_454	His Met Met Glu	0.004992889	0.005315786	0.003181561	0.006762052	0.0042683	0.005054424	0.001199825	0.001326373	0.002062078	0.001154603	0.001629963	0.000922725	0.004929168	0.001382594	0.280492431	-1.833966255	0.000397713	1.34078936	down
pos_455	Gly Ser Pro Pro	4.59E-08	1.23E-07	0	1.57E-07	9.90E-09	7.26E-09	1.76E-05	4.74E-06	5.48E-06	1.41E-05	8.69E-06	5.66E-05	5.72E-08	1.79E-05	312.4120549	8.287306313	0.076760933	0.836464103	unchanged
pos_456	Na-p-Hydroxycoumaroyltryptophan	0.000144448	0.000698848	0.000135643	0.000584328	0.000112859	0.000168566	0.000577303	8.34E-05	6.23E-05	6.40E-05	0.000383622	4.98E-05	0.000307449	0.000203397	0.661564536	-0.596046196	0.476578484	0.33521781	unchanged
pos_457	pentanamide	2.97E-05	2.84E-05	3.05E-05	3.80E-05	3.22E-05	3.56E-05	5.23E-05	4.34E-05	4.32E-05	4.41E-05	3.59E-05	4.78E-05	3.24E-05	4.45E-05	1.371920628	0.456197017	0.001604528	1.250345322	up
pos_458	O-BENZYL-l-SERINE	8.93E-06	1.40E-05	1.04E-05	1.68E-05	1.59E-05	2.00E-05	3.23E-05	2.60E-05	3.01E-05	3.49E-05	3.00E-05	4.03E-05	1.43E-05	3.23E-05	2.254026494	1.172504473	5.17E-05	1.337010493	up
pos_459	"3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol"	0.000100698	9.28E-05	0.000116573	0.000131938	0.000128022	0.000140095	0.000219777	0.000190339	0.000194445	0.000172845	0.000163297	0.00020715	0.00011836	0.000191309	1.616336437	0.692727524	8.53E-05	1.359080785	up
pos_460	N-Cyclohexanecarbonyltetradecylamine	3.12E-05	7.15E-05	3.27E-05	2.77E-05	2.08E-05	0.000169649	4.92E-05	7.85E-05	0.000216001	6.96E-05	4.58E-05	0.000130504	5.89E-05	9.83E-05	1.667308393	0.737520976	0.292963572	0.507059219	unchanged
pos_461	Coniine	3.17E-05	2.83E-05	3.29E-05	3.75E-05	3.41E-05	3.81E-05	5.68E-05	4.65E-05	5.06E-05	4.81E-05	4.50E-05	5.35E-05	3.38E-05	5.01E-05	1.483087775	0.568603985	4.85E-05	1.366531225	up
pos_462	Demethylphylloquinone	3.97E-08	2.76E-07	0.000161478	1.45E-07	1.62E-07	4.61E-07	1.33E-05	8.88E-07	1.20E-05	8.74E-07	5.18E-07	1.40E-06	2.71E-05	4.83E-06	0.178432612	-2.486548777	0.446497898	0.335129928	unchanged
pos_463	Dibutyl sulfide	3.61E-06	5.29E-08	1.88E-05	0	0	0	2.94E-05	0	2.51E-05	0	4.88E-07	0	3.74E-06	9.15E-06	2.448844038	1.292100895	0.430362049	0.42056917	unchanged
pos_464	12-Dihydrodalbinol	2.27E-05	4.95E-07	8.08E-06	7.96E-07	1.53E-05	1.31E-05	0	2.79E-07	6.12E-07	0	0	0	1.01E-05	1.48E-07	0.014708486	-6.087207477	0.038054822	1.005226748	down
pos_465	Methyl 5-hydroxyoxindole-3-acetate	3.30E-05	6.70E-05	3.18E-05	7.24E-05	3.76E-05	5.44E-05	0.000193214	7.71E-05	9.87E-05	0.000122569	9.90E-05	0.000166279	4.94E-05	0.000126161	2.555087468	1.35337268	0.006687554	1.155052016	up
pos_466	Corey PG-Lactone Diol	0	0	0	0	0	0	2.86E-05	5.05E-05	2.34E-05	1.58E-06	6.92E-06	9.40E-06	0	2.01E-05	Inf	Inf	0.042092584	1.023140177	up
pos_467	"7(14)-Bisabolene-2,3,10,11-tetrol"	6.97E-05	7.02E-06	2.42E-05	1.33E-06	5.93E-05	5.13E-05	9.54E-06	2.26E-05	7.78E-06	1.18E-05	1.67E-05	1.56E-05	3.55E-05	1.40E-05	0.39443813	-1.342129072	0.12660392	0.762388428	unchanged
pos_468	Fibrin	4.31E-05	3.54E-05	7.39E-06	1.64E-05	2.69E-05	1.49E-05	2.21E-05	1.04E-05	1.82E-05	9.80E-06	1.66E-05	4.95E-05	2.40E-05	2.11E-05	0.879723711	-0.184877598	0.731162159	0.221433547	unchanged
pos_469	p-Coumaroylagmatine	0.000497855	0.00107758	7.77E-05	0.000296446	0.000308409	0.000275481	0.006701352	0.000352018	0.000949975	0.00126936	0.001066183	0.019686238	0.000422252	0.005004188	11.85119659	3.566960827	0.198078772	0.620924447	unchanged
pos_470	Asp Tyr Tyr Ser	0.002426894	0.003565205	8.97E-05	0.000970429	0.001035717	0.001328725	9.61E-05	0.000117858	9.35E-05	0.000369148	0.000161456	0.001025913	0.001569439	0.000310658	0.197942319	-2.336848007	0.05446431	0.941279152	unchanged
pos_471	Succinic anhydride	6.16E-07	2.22E-06	4.12E-07	8.98E-07	2.42E-06	3.26E-06	4.45E-06	3.30E-06	8.97E-06	7.29E-06	4.97E-06	7.89E-06	1.64E-06	6.14E-06	3.751865456	1.907608093	0.00262462	1.180866674	up
pos_472	Foeniculoside VIII	0.004038726	0.002200328	0.003382856	0.002120025	0.003771253	0.003616969	0.002441008	0.002121642	0.003655024	0.003614428	0.002136097	0.003556554	0.003188359	0.002920792	0.916079931	-0.126454611	0.57264126	0.295593378	unchanged
pos_473	"2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate"	0.000358532	0.000336297	0.00023639	0.000333674	0.000324718	0.000323747	8.00E-05	7.00E-05	6.24E-05	6.88E-05	0.000100907	8.30E-05	0.000318893	7.75E-05	0.243066773	-2.040575403	1.06E-05	1.447645339	down
pos_474	Misoprostol	0.000755524	0.00038497	0.000150855	0.000284633	0.000362326	0.000408439	0.000265775	0.00033303	0.000180958	0.000177782	0.000165607	0.00028388	0.000391125	0.000234505	0.599566875	-0.738007415	0.120543808	0.763108012	unchanged
pos_475	Propyl levulinate	0.00136844	0.000973904	0.000694966	0.00089944	0.001330882	0.001096682	0.00022514	0.000344488	0.000368453	0.000352863	0.000372738	0.000530253	0.001060719	0.000365656	0.344724511	-1.536484212	0.000671456	1.339295634	down
pos_476	"1-Fluorocyclohexadiene-cis,cis-1,2-diol"	0.000174501	6.07E-06	1.58E-05	4.20E-06	8.59E-05	1.93E-05	9.31E-07	6.12E-06	4.35E-06	8.12E-07	2.06E-06	4.62E-07	5.10E-05	2.46E-06	0.048210732	-4.374501866	0.139711818	0.76495128	unchanged
pos_477	Glu Ile Phe Ile	8.63E-07	3.98E-06	4.74E-06	4.67E-06	1.41E-06	5.60E-06	4.20E-06	6.96E-06	6.67E-06	8.14E-06	4.29E-06	6.20E-06	3.54E-06	6.08E-06	1.715314968	0.77847351	0.032757606	0.956053772	unchanged
pos_478	Anhydrosophoradiol	1.04E-06	0	2.06E-05	0	1.45E-06	0	4.96E-05	7.14E-07	5.55E-05	9.09E-07	0	0	3.85E-06	1.78E-05	4.62474506	2.209373839	0.272335047	0.57028872	unchanged
pos_479	Asp Gly Trp Asp	0.001588596	0.000749252	0.002530136	0.000397923	0.000938734	0.000467991	0.000415528	0.000293126	0.000465929	0.000216181	0.000312597	0.000373522	0.001112105	0.000346147	0.311253886	-1.683836245	0.069661924	0.864411219	unchanged
pos_480	"2,5-Dimethoxycinnamic acid"	8.68E-05	7.28E-05	6.77E-05	6.06E-05	8.60E-05	8.45E-05	2.91E-05	3.84E-05	3.66E-05	4.20E-05	3.25E-05	4.60E-05	7.64E-05	3.74E-05	0.490129165	-1.028766099	7.12E-05	1.377038167	down
pos_481	Acetoacetic acid	1.85E-05	1.90E-05	1.55E-05	1.08E-05	1.86E-05	1.67E-05	1.03E-05	8.82E-06	1.22E-05	1.35E-05	1.69E-05	2.16E-05	1.65E-05	1.39E-05	0.840805524	-0.250155947	0.284034809	0.582450779	unchanged
pos_482	Chromone	0.000292558	0.00028311	0.000227903	0.000244915	0.000338719	0.000294922	0.000373857	0.000470419	0.000433296	0.000506496	0.000481875	0.000401083	0.000280355	0.000444504	1.585507498	0.6649447	0.00012307	1.287670435	up
pos_483	Leu-Leu-OH	0.00029685	0.000508902	0.000109419	0.000249236	0.000209373	0.000238548	0.000442666	0.000343092	0.00026395	0.0003238	0.00035466	0.000716927	0.000268721	0.000407516	1.516500166	0.600745656	0.137450044	0.642764342	unchanged
pos_484	Pyrocatechol	6.41E-06	3.84E-06	3.97E-06	4.36E-06	6.57E-06	5.99E-06	5.65E-06	6.28E-06	5.31E-06	8.16E-06	4.96E-06	7.29E-06	5.19E-06	6.27E-06	1.208357883	0.273047805	0.165233576	0.608532266	unchanged
pos_485	"DL-3,4-Dihydroxyphenyl glycol"	3.01E-05	3.64E-05	2.47E-05	2.51E-05	1.76E-05	1.63E-05	6.38E-05	9.65E-05	5.91E-05	4.08E-05	6.91E-05	7.97E-05	2.50E-05	6.82E-05	2.723734705	1.44558619	0.0015554	1.269927587	up
pos_486	Armillaripin	0.003461658	0.004187179	0.003052773	0.004211581	0.002963545	0.003713495	0.006112502	0.005784733	0.004574682	0.006168973	0.003785765	0.00573964	0.003598372	0.005361049	1.489854121	0.575171077	0.004640554	1.176162052	up
pos_487	Cer(d16:1(4E)/18:1(9Z)(2OH))	0.001350045	0.00117525	0.00118152	0.001731888	0.001518487	0.002232941	0.002338174	0.001840383	0.002616436	0.002904409	0.001955671	0.003718818	0.001531688	0.002562315	1.672869704	0.742325082	0.013499181	1.039814438	up
pos_488	5-(hydroxymethyl)- 2-Furancarboxylic acid	0.000189674	0.000137764	0.000103204	0.000131037	0.000185605	0.000221661	0.000205543	0.000223279	0.000250595	0.000316337	0.00025394	0.000284702	0.000161491	0.000255733	1.583574588	0.663184822	0.003282337	1.099708627	up
pos_489	Anhalonidine	0.000169567	0.000150891	0.000110726	0.000114025	0.000199571	0.000176122	0.000397073	0.000304174	0.00030725	0.000207222	0.000348855	0.000508081	0.000153483	0.000345443	2.250683801	1.170363387	0.004321505	1.187681967	up
pos_490	Ser Trp Asn His	0.000284051	0.000279783	9.26E-05	0.000154526	0.00020917	0.000212127	0.001952486	0.000219842	0.000435043	0.000375201	0.000354167	0.006434706	0.000205368	0.001628574	7.930017816	2.987324107	0.212788075	0.601566491	unchanged
pos_491	"4-Methylheptane-3,5-dione"	3.68E-05	1.67E-05	1.88E-05	1.85E-05	3.04E-05	1.98E-05	3.83E-06	5.62E-07	3.15E-06	2.83E-06	3.77E-06	4.59E-06	2.35E-05	3.12E-06	0.132750235	-2.913213683	0.001443639	1.334066819	down
pos_492	Allomaltol	7.01E-06	3.97E-06	5.84E-06	4.99E-06	6.11E-06	5.75E-06	6.57E-06	5.87E-06	6.12E-06	5.81E-06	4.98E-06	5.38E-06	5.61E-06	5.79E-06	1.030888638	0.043888494	0.727714476	0.184325664	unchanged
pos_493	2-O-methyl PAF C-16	8.78E-06	7.25E-06	8.95E-06	9.28E-06	7.99E-06	9.34E-06	2.06E-05	2.28E-05	2.51E-05	1.38E-05	1.54E-05	2.78E-05	8.60E-06	2.09E-05	2.433348548	1.282942984	0.002452382	1.301478106	up
pos_494	"DG(16:0/18:4(6Z,9Z,12Z,15Z)/0:0)"	0.00037724	0.000293253	0.000326048	0.000573106	0.000496732	0.000801651	0.000488277	0.000400418	0.000282351	0.000335724	0.000189659	0.000260766	0.000478005	0.000326199	0.682417477	-0.551273499	0.127613037	0.63741372	unchanged
pos_495	5-Hydroxymethyl-2-furaldehyde	0.000262899	0.000247288	0.000261998	0.000307163	0.00030353	0.000324208	0.000411285	0.0003793	0.000424941	0.000444973	0.000421633	0.000415206	0.000284514	0.000416223	1.462924266	0.548855085	1.39E-05	1.380284825	up
pos_496	Morpholine	0.000563286	0.000507867	0.000590877	0.00063795	0.000643689	0.000705709	0.001039695	0.000916092	0.000924851	0.000925479	0.000773906	0.001052356	0.00060823	0.00093873	1.543380271	0.626093569	0.000107087	1.3587316	up
pos_497	"3-ACETOXYDEOXYANGOLENSIC ACID, METHYL ESTER"	1.84E-05	8.56E-06	9.44E-06	3.69E-05	6.77E-05	5.85E-05	0.000102634	8.20E-05	7.97E-05	0.000113443	0.000115171	0.000182038	3.32E-05	0.000112492	3.383471189	1.758504104	0.0020791	1.173972702	up
pos_498	LASALOCID	5.76E-05	2.26E-05	2.37E-05	4.04E-05	4.69E-05	4.45E-05	0.000170428	0.00013346	0.000117894	7.62E-05	6.83E-05	0.000129589	3.93E-05	0.000115985	2.952482776	1.561928643	0.003214656	1.252549102	up
pos_499	Phe Tyr Lys Lys	2.52E-06	0	0	1.38E-06	9.01E-07	2.30E-06	4.17E-05	5.31E-05	2.68E-05	1.12E-05	1.39E-05	3.95E-05	1.18E-06	3.10E-05	26.21000788	4.712045882	0.006882163	1.243045096	up
pos_500	Oxindole	1.18E-05	1.19E-05	1.17E-05	1.24E-05	1.35E-05	1.53E-05	2.54E-05	1.92E-05	2.13E-05	1.83E-05	1.69E-05	2.26E-05	1.28E-05	2.06E-05	1.611163883	0.688103249	0.000875961	1.30939208	up
pos_501	"(6E,8E)-4,6,8-Megastigmatriene"	1.36E-05	1.28E-05	1.54E-05	1.63E-05	1.74E-05	1.69E-05	2.67E-05	2.49E-05	2.52E-05	2.26E-05	2.23E-05	2.83E-05	1.54E-05	2.50E-05	1.624276952	0.699797645	1.59E-05	1.395668532	up
pos_502	Ile Gly His	2.58E-06	0	1.89E-05	0	0	0	3.23E-05	0	3.26E-05	0	0	0	3.59E-06	1.08E-05	3.018088778	1.593635244	0.367701277	0.474690326	unchanged
pos_503	5-HYDROXYIMINOISOCARYOPHYLLENE	8.19E-06	7.96E-06	8.82E-06	8.22E-06	9.00E-06	9.43E-06	1.63E-05	1.43E-05	1.54E-05	1.14E-05	1.21E-05	1.41E-05	8.60E-06	1.39E-05	1.617792477	0.694026558	0.000573572	1.365117608	up
pos_504	Methyl rosmarinate	0.0009102	0.000370825	0.001257424	0.000427885	0.001198135	0.000922945	0.000135809	0.000248681	0.000236369	9.66E-05	8.55E-05	0.000189819	0.000847902	0.000165472	0.195155155	-2.357306525	0.006120829	1.182231131	down
pos_505	Lys Ala Asn Asp	0	0	0	0	0	0	0	0	0	0	0	2.64E-05	0	4.40E-06	Inf	Inf	0.363217468	0.432894348	unchanged
pos_506	Methcathinone	7.77E-08	2.70E-07	1.69E-08	0	0	3.69E-07	6.25E-07	4.18E-07	2.06E-07	1.02E-05	4.96E-07	8.56E-06	1.22E-07	3.42E-06	27.93431624	4.803966602	0.143122536	0.679963303	unchanged
pos_507	O-Succinyl-L-homoserine	0.000189388	0.000171561	0.000111943	0.000151098	0.000199508	0.000185737	0.000139993	0.000139413	0.000136117	0.000162272	0.000166717	0.000249913	0.000168206	0.000165737	0.985325007	-0.021328422	0.91311034	0.109757249	unchanged
pos_508	Maltitol	0.000121484	0.000200773	5.99E-05	0.000146267	0.000117677	0.00018108	0.000149583	0.00012183	0.000177796	0.000128593	0.000178153	0.000279492	0.000137857	0.000172574	1.251836196	0.324045797	0.292147802	0.456957697	unchanged
pos_509	Epomediol	0.000160701	8.77E-05	0.000129014	0.00011616	0.00019467	0.000187098	4.05E-05	4.67E-05	5.94E-05	5.03E-05	4.17E-05	7.51E-05	0.000145893	5.23E-05	0.358369728	-1.480479321	0.002048956	1.261137677	down
pos_510	2-Furoic acid	0.000139446	0.000113642	3.89E-05	9.56E-05	0.000116215	0.00015549	8.30E-05	9.13E-05	8.72E-05	0.000274675	0.000112485	0.000314998	0.00010988	0.000160603	1.46161434	0.547562693	0.310098452	0.438486719	unchanged
pos_511	"6,10-Dimethyl-5(E),9-undecadien-2-one"	0	0	0	0	0	0	0.00017371	0.000148456	6.29E-05	7.34E-05	3.57E-05	0.000147065	0	0.000106875	Inf	Inf	0.00564406	1.257934785	up
pos_512	Boschniakine	6.31E-06	5.03E-06	6.62E-06	6.71E-06	7.85E-06	8.07E-06	1.25E-05	9.59E-06	1.32E-05	8.34E-06	7.80E-06	1.07E-05	6.77E-06	1.04E-05	1.530678087	0.614170906	0.008235463	1.146963189	up
pos_513	Pro Leu	0.001174524	0.000937335	0.000467615	0.000680063	0.00114528	0.000960363	0.000994029	0.001044446	0.001339315	0.001470094	0.001520324	0.001667831	0.000894197	0.00133934	1.497813562	0.582858058	0.017704813	0.910458282	unchanged
pos_514	Hydroxytyrosol 1-O-glucoside	0.004041399	0.003778521	0.003557821	0.003897572	0.00534372	0.00427469	0.00116395	0.001469512	0.001866691	0.002306874	0.001795864	0.002190971	0.004148954	0.001798977	0.433597724	-1.20557091	4.07E-05	1.374121917	down
pos_515	Thr Ser Glu	0.006557135	0.016416939	0.001527099	0.014535814	0.002699812	0.005379392	0.002301711	0.000531858	0.000605144	0.000441825	0.003500795	0.000613667	0.007852699	0.0013325	0.169686891	-2.559052979	0.049331504	0.932700826	unchanged
pos_516	2-dodecenal	7.18E-06	5.57E-06	5.79E-06	7.90E-06	6.20E-06	8.49E-06	1.43E-05	1.24E-05	1.33E-05	1.21E-05	1.14E-05	1.23E-05	6.85E-06	1.26E-05	1.840132681	0.879809794	4.92E-06	1.409042802	up
pos_517	Etomidate	0.000247788	0.000223146	0.000271521	0.000307733	0.000303831	0.000357017	0.000520129	0.000452019	0.000463227	0.000447549	0.000369398	0.000514678	0.000285173	0.000461167	1.617147784	0.693451526	0.000157439	1.335939392	up
pos_518	C17 Sphinganine	0.000135485	0.000113669	0.000110288	0.000121996	0.000135292	0.000132792	0.000235078	0.000219785	0.000524629	0.000465254	0.000360323	0.000442476	0.00012492	0.000374591	2.998636017	1.584306414	0.004492816	1.205203212	up
pos_519	guaifenesin	2.52E-05	2.48E-05	2.54E-05	5.39E-05	5.08E-05	3.07E-05	1.96E-05	2.25E-05	1.97E-05	1.82E-05	1.69E-05	1.62E-05	3.51E-05	1.88E-05	0.536402432	-0.898612318	0.031494906	0.963386877	unchanged
pos_520	Isoamyl 2-furonpropionate	0	0	5.78E-05	9.26E-06	0	0	6.89E-05	0.000211799	7.61E-05	7.05E-05	5.99E-05	2.64E-05	1.12E-05	8.56E-05	7.65709717	2.936797565	0.03559342	1.004049741	up
pos_521	Laurencione diacetate	2.53E-05	2.58E-05	3.95E-05	2.91E-05	3.04E-05	1.56E-05	4.30E-05	8.39E-05	5.33E-05	3.92E-05	4.77E-05	2.97E-05	2.76E-05	4.95E-05	1.790953439	0.840727831	0.034574051	0.988743004	unchanged
pos_522	"trans, trans-3,5-Octadien-2-one"	1.33E-05	0	1.46E-06	0	7.79E-06	4.47E-06	2.51E-06	1.34E-06	8.27E-07	2.91E-06	2.63E-06	4.42E-06	4.51E-06	2.44E-06	0.540561427	-0.887469527	0.387634828	0.47759704	unchanged
pos_523	Sesamex	2.79E-05	1.95E-05	1.06E-05	1.90E-05	2.64E-05	2.39E-05	1.37E-05	2.01E-06	2.79E-07	9.21E-08	7.23E-06	2.48E-05	2.12E-05	8.02E-06	0.378273823	-1.40249715	0.022217585	0.997273288	unchanged
pos_524	Benzene	5.46E-05	3.92E-05	3.98E-05	4.39E-05	6.52E-05	5.63E-05	7.15E-05	7.60E-05	5.78E-05	8.64E-05	6.58E-05	7.92E-05	4.99E-05	7.28E-05	1.459389542	0.54536502	0.003203394	1.129676381	up
pos_525	Succinic acid semialdehyde	2.45E-05	2.36E-05	1.44E-05	2.17E-05	3.02E-05	3.44E-05	2.72E-05	3.17E-05	3.73E-05	2.90E-05	3.26E-05	4.12E-05	2.48E-05	3.32E-05	1.336587206	0.41855397	0.041880823	0.862860328	unchanged
pos_526	4-Tridecynoic acid	0.000520345	0.000549222	0.000488681	0.000546877	0.00051889	0.000677887	0.001084946	0.000999986	0.001248522	0.000972312	0.000943917	0.001338323	0.000550317	0.001098001	1.995215464	0.996544552	0.000151211	1.370984204	up
pos_527	"(E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one"	0.002627731	1.93E-05	0.000246042	1.57E-05	0.001453365	0.000134432	9.69E-06	5.08E-06	1.56E-06	9.77E-06	9.07E-06	3.49E-05	0.000749435	1.17E-05	0.015596059	-6.002674639	0.152105845	0.745330859	unchanged
pos_528	Ganoderiol F	1.98E-06	1.11E-06	0.000300622	9.03E-07	4.57E-07	6.26E-07	1.04E-05	1.54E-06	1.46E-05	2.09E-07	2.69E-07	7.24E-06	5.09E-05	5.71E-06	0.112100599	-3.157134111	0.406839071	0.371073798	unchanged
pos_529	Anapear	3.12E-05	5.38E-06	4.67E-06	4.12E-06	1.62E-05	1.17E-05	5.83E-05	6.33E-05	3.98E-05	8.18E-05	7.88E-05	6.24E-05	1.22E-05	6.41E-05	5.247969944	2.391759458	7.81E-05	1.305234505	up
pos_530	Phosphatidyl glycerol	7.22E-05	9.89E-05	5.22E-05	0.000112185	0.000101175	0.000100094	0.000469613	0.000256576	0.000470313	0.000174992	0.000292479	0.00071189	8.95E-05	0.000395977	4.425960554	2.145990593	0.011664944	1.143278893	up
pos_531	Chimaphylin	0.000107805	0.000119168	0.000342258	8.22E-05	0.000135181	9.46E-05	5.16E-05	3.59E-05	6.02E-05	4.05E-05	4.62E-05	5.69E-05	0.000146867	4.85E-05	0.33056451	-1.596996253	0.05641087	0.884427733	unchanged
pos_532	Sodium dehydroacetate	9.06E-06	8.52E-06	1.10E-05	9.60E-06	1.10E-05	9.55E-06	1.64E-05	1.36E-05	1.87E-05	1.28E-05	1.14E-05	1.29E-05	9.79E-06	1.43E-05	1.461739874	0.547686597	0.008017469	1.173428791	up
pos_533	Davanone	6.92E-05	6.68E-06	1.72E-05	7.39E-07	4.14E-05	3.07E-05	1.34E-05	1.28E-05	7.04E-06	9.22E-06	1.64E-05	1.76E-05	2.76E-05	1.27E-05	0.460422678	-1.118969199	0.210329555	0.656602075	unchanged
pos_534	Longifolenaldehyde	1.83E-05	7.27E-06	5.31E-06	5.83E-06	8.99E-06	1.15E-05	2.43E-06	2.60E-07	2.54E-06	2.24E-06	1.85E-06	8.33E-06	9.53E-06	2.94E-06	0.308538596	-1.696477123	0.020133065	1.039841629	down
pos_535	5-Aminopentanal	2.58E-05	2.26E-05	4.10E-05	2.59E-05	2.86E-05	2.71E-05	2.46E-05	2.44E-05	2.47E-05	2.24E-05	1.94E-05	2.44E-05	2.85E-05	2.33E-05	0.817960585	-0.28989677	0.108088953	0.699401141	unchanged
pos_536	PC(16:0/9:0(CHO))	0.000724015	0.000395966	0.000727192	0.00046736	0.000590437	0.000571945	0.000462516	0.000421333	0.000241338	0.000266825	0.000182017	0.000210029	0.000579486	0.000297343	0.51311494	-0.962646063	0.00305314	1.114666248	down
pos_537	"1,25-dihydroxy-2-(3-hydroxypropoxy)vitamin D3 / 1α,25-dihydroxy-2β-(3-hydroxypropoxy)cholecalciferol"	5.87E-06	3.65E-06	3.55E-06	4.58E-06	8.56E-06	9.83E-06	2.21E-05	4.12E-05	1.67E-05	1.84E-05	9.14E-06	2.08E-05	6.01E-06	2.14E-05	3.563754624	1.833398006	0.015811275	1.133827093	up
pos_538	PS(17:0/17:0)	0.006584429	0.005837123	0.005810156	0.004595497	0.005434719	0.004266022	0.00719748	0.005305208	0.006336824	0.005295744	0.004563659	0.006721319	0.005421324	0.005903372	1.088917046	0.122894054	0.393477295	0.399773741	unchanged
pos_539	MILTEFOSINE	3.70E-05	3.56E-05	3.78E-05	5.41E-05	7.47E-05	0.000133278	0.000158715	0.000140289	0.00028335	0.000191087	0.000223655	0.000302862	6.21E-05	0.00021666	3.490240623	1.803326502	0.001094525	1.230624903	up
pos_540	Lys Leu Pro Arg	1.12E-06	1.05E-06	8.21E-07	3.44E-07	1.68E-06	6.05E-07	3.37E-05	2.35E-05	3.48E-05	1.25E-05	1.39E-05	6.99E-05	9.38E-07	3.14E-05	33.43850798	5.063438571	0.016634542	1.109604347	up
pos_541	Dehydrooreadone	1.73E-05	1.99E-05	1.80E-05	1.80E-05	1.78E-05	2.05E-05	4.43E-05	3.48E-05	3.40E-05	3.15E-05	2.82E-05	3.90E-05	1.86E-05	3.53E-05	1.899325964	0.925487523	0.000594786	1.369822262	up
pos_542	JUGLONE	1.99E-05	1.69E-05	4.21E-05	2.18E-05	2.83E-05	1.98E-05	0	0	1.73E-06	0	0	0	2.48E-05	2.89E-07	0.011655139	-6.42288993	0.001270868	1.305816456	down
pos_543	Gly Phe Asn His	0.000481531	0.000753864	0.000621642	0.00058851	0.000354016	0.00016616	0.00015832	3.00E-05	5.41E-05	2.07E-06	2.44E-05	1.62E-05	0.000494287	4.75E-05	0.096148082	-3.378598116	0.002701897	1.245536234	down
pos_544	1-Oxo-1H-2-benzopyran-3-carboxaldehyde	9.15E-06	1.45E-05	1.59E-05	1.94E-05	1.40E-05	1.91E-05	0	8.25E-07	2.47E-08	0	0	0	1.53E-05	1.42E-07	0.009232382	-6.759081391	0.000169855	1.378961586	down
pos_545	4-Hydroxycoumarin	0.000817156	0.000585599	0.00140733	0.000557334	0.000835141	0.000469427	0.000322753	0.000381325	0.000384342	0.000226674	0.000331154	0.000378587	0.000778664	0.000337472	0.433399035	-1.206232153	0.024201956	1.022106535	down
pos_546	Gln Tyr Gly	9.33E-05	0.000343124	1.44E-07	2.10E-06	8.24E-06	1.38E-05	6.35E-07	8.98E-07	2.24E-06	2.26E-07	9.34E-07	1.97E-05	7.68E-05	4.11E-06	0.053569672	-4.22243973	0.245226956	0.607898269	unchanged
pos_547	"2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol"	6.45E-06	3.38E-06	8.86E-06	2.10E-06	8.24E-06	1.25E-05	0.000107876	0.000212101	0.00010425	3.44E-05	0.000125766	0.00010631	6.92E-06	0.000115114	16.62441946	4.055232056	0.005542179	1.244763819	up
pos_548	Momorcharaside B	7.92E-05	8.75E-05	3.67E-05	7.25E-05	5.13E-05	7.20E-05	0.000418417	0.000429277	0.000243206	0.000277566	0.000199105	0.000406679	6.65E-05	0.000329042	4.94477516	2.305904923	0.001189961	1.343753168	up
pos_549	3-(4-Methylphenyl)oxiranecarboxylic acid	4.02E-05	3.83E-05	4.53E-05	6.23E-05	4.76E-05	8.06E-05	0.000142177	0.000106817	0.000234753	0.000116551	7.98E-05	0.000114805	5.24E-05	0.000132491	2.529817934	1.33903356	0.013450719	1.121495783	up
pos_550	DL-b-Hydroxycaprylic acid	0.000128723	4.68E-05	4.25E-05	4.39E-05	8.26E-05	5.84E-05	2.06E-05	1.46E-05	1.76E-05	1.79E-05	2.70E-05	2.72E-05	6.72E-05	2.08E-05	0.310091111	-1.689235926	0.019307755	1.116998603	down
pos_551	METHACHOLINE	0.000157116	0.000107801	5.66E-05	6.47E-05	0.000136305	0.000165722	2.95E-05	4.67E-05	4.52E-05	3.82E-05	6.29E-05	7.63E-05	0.000114702	4.98E-05	0.434017517	-1.204174823	0.0170234	1.091185846	down
pos_552	Formylfusarochromanone	0.000874648	0.000666125	0.00066078	0.000584196	0.000888292	0.00069396	0.000216832	0.00023504	0.000269095	0.000342642	0.00027753	0.001310881	0.000728	0.000442003	0.607147259	-0.719881621	0.168307874	0.684723891	unchanged
pos_553	Cer(d18:0/16:0)	5.73E-05	0.000131859	5.25E-05	0.000164966	3.42E-05	0.00030149	0.000335195	0.000262549	0.00040073	0.000709507	0.000392415	0.000869734	0.000123713	0.000495022	4.00137983	2.000497583	0.010555318	1.075976234	up
pos_554	"DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)"	0.000212191	0.000229759	0.000174274	0.000382078	0.000295083	0.000628673	0.000800704	0.000639097	0.00048755	0.000775926	0.00026391	0.000398954	0.000320343	0.000561023	1.751320922	0.808443476	0.057073276	0.886050202	unchanged
pos_555	"11beta,17alpha,21-trihydroxypregnenolone"	0.000102248	7.77E-05	6.72E-05	0.000164426	0.000154342	0.000175178	0.000347675	0.000166773	0.000121071	7.87E-05	6.14E-05	7.06E-05	0.000123503	0.000141035	1.14195632	0.191507468	0.727603979	0.239287719	unchanged
pos_556	Sebiferic acid	1.20E-05	6.66E-06	1.11E-05	1.05E-05	1.44E-05	1.32E-05	7.62E-05	0.000105771	7.96E-05	4.47E-05	6.11E-05	0.000124512	1.13E-05	8.20E-05	7.248386429	2.857659871	0.001855039	1.320300567	up
pos_557	"1,2,3-Trimethylbenzene"	0.000138267	6.04E-05	7.06E-05	5.86E-05	0.000124956	0.000124723	5.99E-06	1.33E-05	6.19E-06	1.25E-05	7.23E-06	2.10E-05	9.63E-05	1.10E-05	0.114613639	-3.125149354	0.002129633	1.300860558	down
pos_558	Mequinol	0	0	0	0	7.51E-07	0	1.56E-06	3.76E-06	2.07E-06	1.57E-06	3.19E-06	0	1.25E-07	2.02E-06	16.16460614	4.014766451	0.016524105	1.084869131	up
pos_559	3-Methyl-3-hepten-2-one	4.18E-06	0	8.60E-07	0	4.35E-06	1.69E-06	0	6.35E-07	7.94E-07	7.42E-07	1.60E-06	4.73E-07	1.84E-06	7.07E-07	0.383008509	-1.384551653	0.223567383	0.639048431	unchanged
pos_560	4-Dimethylamino-L-phenylalanine	0.000215558	0.000164344	2.42E-05	8.47E-05	0.000118728	0.000115036	0.000283921	0.000199962	0.000194629	0.000393651	0.000405397	0.000476895	0.000120426	0.000325743	2.70492372	1.43558791	0.005837231	1.063689964	up
pos_561	d-Dethiobiotin	0.000276192	0.000210319	0.000149365	0.000201775	0.00036682	0.000258198	0.000193641	0.000229919	0.000246286	0.000235318	0.000261524	0.000295998	0.000243778	0.000243781	1.0000103	1.49E-05	0.999942596	0.05271589	unchanged
pos_562	Caproic acid	6.36E-06	1.82E-06	1.24E-05	6.22E-06	1.94E-05	1.30E-05	3.06E-06	3.80E-06	1.13E-05	1.39E-05	5.24E-06	3.26E-06	9.86E-06	6.75E-06	0.684195183	-0.547520148	0.353869199	0.431014209	unchanged
pos_563	Narcissin	0.002421239	0.005070231	0.001922235	0.007322927	0.003209308	0.006071494	0.000830007	0.00052294	0.001403142	0.001055963	0.001322184	0.001305418	0.004336239	0.001073276	0.247513046	-2.014423525	0.013354972	1.10102418	down
pos_564	"N2,N2-Dimethylguanosine"	0.000149986	7.10E-05	0.000166064	8.98E-05	0.000176576	0.000151259	5.14E-05	3.30E-05	4.82E-05	3.12E-05	4.09E-05	6.08E-05	0.000134123	4.43E-05	0.330014653	-1.599398012	0.003043246	1.237822994	down
pos_565	Novobiocin	6.97E-06	1.74E-05	6.96E-06	1.47E-05	8.33E-06	9.04E-06	0	0	0	0	0	0	1.06E-05	0	0	#NAME?	0.002021173	1.295741657	down
pos_566	"N,N-Dimethylsphingosine"	0.000324841	0.000285389	0.000354954	0.000357942	0.000313605	0.000372338	0.000485815	0.000442077	0.000493253	0.000442736	0.000364224	0.000500338	0.000334845	0.00045474	1.35806254	0.441549919	0.001072402	1.276359017	up
pos_567	Scopoletin	0.000585757	0.000383294	0.0006253	0.000688129	0.000887114	0.000786287	0.000416496	0.000290495	0.000394658	0.000606305	0.000516098	0.000251588	0.000659313	0.000412607	0.625812407	-0.676197835	0.021578062	0.973427491	unchanged
pos_568	Carvone	9.54E-05	1.47E-05	3.66E-05	1.50E-05	7.63E-05	5.38E-05	6.22E-05	5.50E-05	5.17E-05	4.10E-05	8.03E-05	4.93E-05	4.86E-05	5.66E-05	1.16409863	0.219213297	0.600803139	0.19957718	unchanged
pos_569	N-Acetylglucosaminylasparagine	0.000268915	0.002873064	4.68E-05	0.000390823	0.000137166	0.000271731	0.00091941	0.000140565	0.000380644	0.000607009	0.000330712	0.00179345	0.000664756	0.000695298	1.045944425	0.064806198	0.953527068	0.001167256	unchanged
pos_570	Threoninyl-Methionine	0.000416775	0.000415887	0.000421521	0.000465853	0.000491263	0.000499261	0.000798779	0.000727348	0.000714848	0.000667221	0.00064222	0.00075458	0.00045176	0.000717499	1.588231377	0.667421103	6.80E-06	1.421967795	up
pos_571	3-keto sphingosine	3.92E-05	3.10E-05	3.41E-05	4.74E-05	4.16E-05	6.29E-05	6.05E-05	5.08E-05	6.93E-05	8.57E-05	5.27E-05	0.000103679	4.27E-05	7.05E-05	1.650403803	0.722819051	0.021086863	0.988605231	unchanged
pos_572	L-erythro-tetrahydrobiopterin	5.36E-06	5.14E-06	6.45E-06	8.47E-06	7.09E-06	9.33E-06	1.06E-05	1.15E-05	1.29E-05	9.39E-06	1.08E-05	1.46E-05	6.97E-06	1.16E-05	1.665544419	0.73599383	0.001068571	1.237531156	up
pos_573	Prolyl-Tryptophan	4.80E-07	9.12E-07	1.40E-06	0	3.47E-07	2.01E-06	3.58E-06	4.69E-06	2.68E-06	6.92E-06	2.85E-06	1.63E-06	8.57E-07	3.73E-06	4.347381992	2.120146867	0.011149759	1.102388875	up
pos_574	Isoleucyl-Arginine	3.02E-05	3.06E-05	2.82E-05	3.44E-05	4.18E-05	4.25E-05	6.57E-05	6.74E-05	6.17E-05	6.09E-05	6.74E-05	7.93E-05	3.46E-05	6.71E-05	1.938448514	0.954902417	5.29E-06	1.388554391	up
pos_575	Prolyl-Glutamate	1.46E-05	1.41E-05	1.34E-05	1.67E-05	1.51E-05	1.87E-05	2.86E-05	1.98E-05	1.92E-05	2.65E-05	2.23E-05	2.92E-05	1.54E-05	2.43E-05	1.573796033	0.654248577	0.002981185	1.204091323	up
pos_576	Isoleucyl-Glutamine	7.43E-06	7.96E-06	7.82E-06	8.12E-06	8.64E-06	9.85E-06	1.25E-05	1.16E-05	1.25E-05	9.93E-06	1.06E-05	1.36E-05	8.30E-06	1.18E-05	1.418761279	0.504631862	0.000566294	1.294226754	up
pos_577	5-methoxyuridine	0.000367931	0.000190207	0.00024314	0.000170631	0.000274751	0.00019636	0.000273886	0.000236872	0.00028642	0.000206877	0.00023314	0.000264028	0.000240503	0.000250204	1.040333674	0.057046329	0.772775389	0.103390069	unchanged
pos_578	Arginyl-Glutamine	2.83E-05	2.97E-05	2.49E-05	2.67E-05	2.69E-05	3.59E-05	5.14E-05	3.74E-05	4.12E-05	4.34E-05	3.58E-05	5.51E-05	2.87E-05	4.41E-05	1.53283822	0.616205439	0.003026798	1.198115693	up
pos_579	p-Cresol	0.000184333	6.18E-05	0.000245299	7.79E-05	0.000192418	0.000153471	8.09E-05	5.54E-05	7.66E-05	4.89E-05	6.24E-05	6.05E-05	0.000152532	6.41E-05	0.420293413	-1.250531249	0.027410933	1.009833483	down
pos_580	(R)-2-Hydroxycaprylic acid	3.53E-05	1.75E-05	1.34E-05	1.04E-05	2.07E-05	2.14E-05	1.64E-05	9.63E-06	1.43E-05	1.33E-05	1.79E-05	2.93E-05	1.98E-05	1.68E-05	0.850447376	-0.233706128	0.526446289	0.372272268	unchanged
pos_581	1-Oleoyl Lysophosphatidic Acid	1.48E-05	9.07E-06	6.97E-06	4.48E-06	4.54E-06	2.13E-06	8.90E-06	2.06E-06	5.31E-06	2.21E-06	2.13E-06	2.71E-06	7.00E-06	3.89E-06	0.55499789	-0.849445809	0.185089598	0.641586314	unchanged
pos_582	Naringenin-7-O-Glucoside	0.000103367	6.15E-05	0.000225591	6.30E-05	0.000123866	7.43E-05	6.35E-06	1.81E-05	3.68E-05	1.41E-06	6.24E-06	0	0.000108608	1.15E-05	0.105814556	-3.240389995	0.011475782	1.105030371	down
pos_583	Podophyllotoxin (Podophyllum)	0.003373052	0.002144954	0.002603766	0.00215987	0.002767463	0.002161056	0.000504544	0.000375772	0.000677974	0.000225844	0.000364722	0.000595473	0.002535027	0.000457388	0.180427322	-2.470510276	5.41E-05	1.414243341	down
pos_584	Oxytetracycline	0.001632752	0.002175847	0.000704559	0.001415317	0.000972794	0.001668076	0.000604853	0.000661093	0.000995483	0.000695912	0.000858845	0.00113113	0.001428224	0.000824553	0.577327113	-0.792539114	0.037232401	0.975810378	unchanged
pos_585	(+-)-Mevalonolactone	1.09E-05	3.94E-06	1.35E-05	3.10E-06	1.25E-05	3.58E-06	4.94E-05	7.87E-05	7.70E-05	5.76E-05	5.85E-05	3.11E-05	7.92E-06	5.87E-05	7.41622466	2.890684948	0.00062578	1.344575531	up
pos_586	6-O-Acetyldaidzin	3.28E-05	7.73E-06	0.000100094	6.46E-06	6.12E-05	1.31E-05	3.36E-11	3.89E-08	4.44E-08	0	1.99E-08	0	3.69E-05	1.72E-08	0.000465768	-11.06810051	0.059722495	0.884428363	unchanged
pos_587	Illudin M	0.000902111	0.000777999	7.65E-05	0.000847986	0.00034191	0.000521924	0.000502175	0.00015922	0.000129065	0.000208368	0.000891824	0.000168508	0.000578073	0.000343193	0.593685183	-0.752229987	0.223723541	0.619716969	unchanged
pos_588	2'-O-methylinosine	4.11E-06	0	0	8.71E-07	5.73E-06	4.99E-06	4.31E-07	1.27E-07	9.01E-07	1.09E-08	3.23E-07	2.15E-07	2.62E-06	3.35E-07	0.127878499	-2.967154376	0.086025838	0.836407378	unchanged
pos_589	Tyrosyl-Glutamate	0.006534444	0.013115699	0.001131317	0.006937726	0.002088194	0.005085961	0.011308404	0.004164825	0.006153874	0.011548921	0.015087996	0.008239303	0.005815557	0.00941722	1.619315342	0.695383961	0.162848492	0.565737682	unchanged
pos_590	Streptomycin	4.68E-07	2.12E-06	0	0	3.12E-07	0	2.20E-05	6.32E-08	4.40E-07	8.19E-08	2.55E-07	8.13E-05	4.84E-07	1.73E-05	35.84266554	5.163606026	0.259830123	0.546801144	unchanged
pos_591	Azacitidine	0.000137102	0.000127478	0.000304783	0.000150524	0.000178058	0.000176314	3.89E-06	1.70E-05	1.80E-05	1.19E-05	2.69E-06	4.08E-06	0.000179043	9.60E-06	0.053614612	-4.221229959	0.001305309	1.296952001	down
pos_592	Sophoraflavanone B	5.47E-05	5.93E-05	4.73E-05	4.40E-05	3.47E-05	3.95E-05	0.000181162	0.000371176	0.000196369	8.70E-05	0.000195459	0.000230847	4.66E-05	0.000210335	4.515582071	2.174911967	0.007270436	1.217666203	up
pos_593	"3,3-Dimethylacrylic acid"	4.25E-06	2.16E-06	4.55E-06	6.03E-06	7.55E-06	7.57E-06	2.93E-06	1.80E-06	2.95E-06	4.64E-06	4.02E-06	1.17E-06	5.35E-06	2.92E-06	0.545007754	-0.875651339	0.041522539	0.889700299	unchanged
pos_594	Tyrosyl-Proline	0.026455126	0.046071323	0.012131737	0.043491041	0.015944561	0.032571379	0.037227629	0.020017712	0.02121043	0.017708414	0.067310512	0.013951876	0.029444194	0.029571095	1.004309881	0.006204484	0.990160085	0.039176033	unchanged
pos_595	Enalaprilat	4.25E-05	8.59E-05	1.16E-05	3.69E-05	2.39E-05	2.74E-05	2.93E-05	2.48E-05	2.44E-05	0.000116986	3.00E-05	0.000124392	3.80E-05	5.83E-05	1.534624349	0.617885551	0.392148672	0.35864374	unchanged
pos_596	2-Octenoic acid	6.86E-05	2.44E-05	3.46E-05	2.35E-05	5.42E-05	4.36E-05	6.05E-06	5.97E-06	7.76E-06	1.11E-05	7.73E-06	1.74E-05	4.15E-05	9.33E-06	0.224937202	-2.152405811	0.005774617	1.221598407	down
pos_597	Mimosine	1.78E-05	1.57E-05	2.60E-05	1.91E-05	2.05E-05	2.11E-05	2.68E-06	7.49E-06	6.75E-06	3.12E-06	1.95E-06	1.59E-06	2.00E-05	3.93E-06	0.196091849	-2.350398526	7.45E-06	1.365317059	down
pos_598	Fungichromin	1.26E-05	3.05E-05	2.15E-06	3.97E-05	1.15E-05	4.57E-05	3.29E-05	2.71E-05	8.99E-06	3.44E-05	7.19E-06	1.58E-05	2.37E-05	2.11E-05	0.889002703	-0.16974029	0.768024543	0.097644571	unchanged
pos_599	Deoxycytidine	0.000698119	0.001414325	0.000102628	0.000384601	0.000494051	0.000340216	0.000239998	0.000212243	0.000360629	0.000268693	0.000230978	0.000580525	0.000572323	0.000315511	0.551280642	-0.859141151	0.236031933	0.61694625	unchanged
pos_600	Ononin	0.004305128	0.002028131	0.002984055	0.001920015	0.003655336	0.002918325	0.000497854	0.000422844	0.000459339	0.000297828	0.00037156	0.000732395	0.002968498	0.000463637	0.156185549	-2.678667124	0.00100377	1.344345589	down
pos_601	Virginiamycin S1	0.003245145	0.003370276	0.003448273	0.003680531	0.002737771	0.002765663	0.002786977	0.006743182	0.00735797	0.006139369	0.004534926	0.001571443	0.003207943	0.004855645	1.513631801	0.598014305	0.14205933	0.720267992	unchanged
pos_602	Zidovudine	5.71E-06	1.18E-06	1.51E-06	2.04E-06	9.99E-07	1.87E-06	1.43E-06	1.16E-06	7.97E-07	3.23E-07	8.07E-07	2.85E-07	2.22E-06	8.00E-07	0.360496257	-1.471943815	0.106155836	0.791559189	unchanged
pos_603	5-Methylcytidine	0.00021924	0.000166939	8.93E-05	7.41E-05	0.000162111	0.000176635	0.000359993	0.00011642	0.000237893	0.000186996	0.000355142	0.000604169	0.000148045	0.000310102	2.094642699	1.066704172	0.07089524	0.796820306	unchanged
pos_604	Bestatin	0.026161296	0.043190586	0.002791947	0.016431879	0.017724743	0.017057572	0.018998168	0.017078623	0.02348233	0.023453997	0.020231137	0.057330834	0.02055967	0.026762515	1.301699596	0.380396544	0.470522829	0.29066158	unchanged
pos_605	Leucyl-Methionine	8.85E-05	7.97E-05	0.000105344	0.000123364	0.000117004	0.000144138	0.000203672	0.000171297	0.000184214	0.000179812	0.000149564	0.000196793	0.000109682	0.000180892	1.649243894	0.721804764	0.000224087	1.325371565	up
pos_606	2'-O-methyladenosine	2.15E-07	1.65E-05	1.31E-07	1.10E-05	7.08E-07	1.17E-05	1.12E-05	1.31E-05	9.15E-06	2.88E-05	7.41E-06	9.35E-06	6.70E-06	1.32E-05	1.965106754	0.974607689	0.169949846	0.627060248	unchanged
pos_607	D-Pipecolic acid	3.33E-05	3.32E-06	1.10E-05	2.75E-06	2.26E-05	1.75E-05	2.44E-05	2.08E-05	1.89E-05	1.45E-05	2.28E-05	5.11E-05	1.51E-05	2.54E-05	1.687291641	0.754709358	0.180766715	0.577665467	unchanged
pos_608	Tyrosyl-Methionine	0.026657597	0.026870912	0.015467803	0.020249997	0.02541539	0.021175495	0.023650234	0.022375714	0.03105952	0.041587637	0.019470054	0.023083014	0.022639532	0.026871029	1.186907412	0.247207398	0.299583038	0.450061617	unchanged
pos_609	"MG(18_2(9Z,12Z)_0_0_0_0)[rac]"	2.72E-05	2.57E-05	2.76E-05	3.09E-05	3.09E-05	3.89E-05	5.98E-05	4.85E-05	5.75E-05	5.00E-05	4.54E-05	5.84E-05	3.02E-05	5.33E-05	1.765404225	0.819998556	3.23E-05	1.375110842	up
pos_610	Hygromycin B	2.29E-05	3.06E-05	1.45E-05	4.03E-05	1.23E-05	1.31E-05	0	0	0	0	0	0	2.23E-05	0	0	#NAME?	0.004770987	1.231633968	down
pos_611	Baccatin III	0.001538807	0.00257947	0.000906472	0.001580097	0.000961242	0.001131219	0.000887838	0.000526692	0.000907238	0.001042617	0.001265564	0.001343796	0.001449551	0.000995624	0.686849929	-0.541933178	0.14965068	0.728905255	unchanged
pos_612	6''-O-Acetylglycitin	0.002814234	0.001814882	0.009390485	0.00175054	0.003565894	0.001354396	0.001158648	0.000567217	0.001594436	0.000541299	0.000594285	0.00090386	0.003448405	0.000893291	0.259044599	-1.948727593	0.093378744	0.778652787	unchanged
pos_613	Carbenicillin	0.000658531	0.000771509	0.000363496	0.000897963	0.000764779	0.001009869	0.001247107	0.000714736	0.001452647	0.000936372	0.00094182	0.00263676	0.000744358	0.001321574	1.775455188	0.828188947	0.100579096	0.763815496	unchanged
pos_614	"N,N'-Diacetylchitobiose"	0.000361902	0.000101642	0.000262001	8.64E-05	0.000191278	0.000156298	0.00046815	0.000152628	0.00031073	0.000111484	0.000167881	0.000180425	0.00019326	0.000231883	1.199850179	0.262854273	0.590056033	0.265721504	unchanged
pos_615	Lysyl-Lysine	4.33E-05	1.88E-06	2.44E-07	2.17E-06	3.34E-06	1.73E-06	1.61E-06	4.95E-07	0	0	0	0	8.77E-06	3.50E-07	0.039923012	-4.646635604	0.277460781	0.583249982	unchanged
pos_616	5-methoxytryptophan	0.002184081	0.001952573	0.002537699	0.003089316	0.00298544	0.00363238	0.005198728	0.004478318	0.00488577	0.004603167	0.003889621	0.005273181	0.002730248	0.004721464	1.729316912	0.790202279	0.00014715	1.337543232	up
pos_617	Androsterone sulfate	1.19E-05	1.80E-05	1.59E-05	2.08E-05	2.05E-05	1.57E-05	1.85E-05	1.81E-05	1.50E-05	1.98E-05	1.34E-05	1.77E-05	1.71E-05	1.71E-05	0.996679852	-0.004797931	0.973793241	0.043665459	unchanged
pos_618	[6]-Shogaol	6.04E-05	4.92E-05	4.03E-05	5.87E-05	5.86E-05	6.38E-05	8.00E-05	8.27E-05	7.71E-05	6.61E-05	6.70E-05	8.26E-05	5.52E-05	7.59E-05	1.375757356	0.460226043	0.001422124	1.217121182	up
pos_619	Neolinustatin	0.002008336	0.002380347	0.000861111	0.00162142	0.001563355	0.001889187	0.001623321	0.001509255	0.001603244	0.001720325	0.00200331	0.002641809	0.001720626	0.001850211	1.075312667	0.104756211	0.644082957	0.151337835	unchanged
pos_620	D-Proline	2.72E-05	2.18E-05	2.77E-05	2.75E-05	2.78E-05	3.07E-05	4.29E-05	3.85E-05	4.31E-05	4.15E-05	3.04E-05	4.58E-05	2.71E-05	4.04E-05	1.489444776	0.574774634	0.000892161	1.292716628	up
pos_621	1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine	0.000101448	0.000243171	9.23E-05	0.000266349	0.000155736	0.000270222	0.00052436	0.00056511	0.000415461	0.000484824	0.000377857	0.000501927	0.00018821	0.000478257	2.541078468	1.345440926	6.85E-05	1.358004208	up
pos_622	Lariciresinol	5.56E-05	9.92E-05	5.58E-05	7.67E-05	3.68E-05	5.90E-05	0.000118185	0.000126385	9.94E-05	7.55E-05	9.19E-05	0.000129361	6.38E-05	0.000106794	1.67271992	0.742195901	0.00595159	1.11636158	up
pos_623	Bosentan	0.001594923	0.001757754	0.001203185	0.002011713	0.001717378	0.001248277	0.000433815	0.000436733	0.000357165	0.000263177	0.000358925	0.000348263	0.001588872	0.000366346	0.230570106	-2.116722622	0.000148788	1.395673701	down
pos_624	Phenylpropionylglycine	0.002116744	0.001923761	0.000210923	0.000651521	0.001350428	0.001147539	0.001504897	0.000519943	0.000720378	0.001099427	0.000642148	0.009059711	0.001233486	0.002257751	1.83038214	0.87214488	0.494628079	0.306964417	unchanged
pos_625	Pyridoxal (Vitamin B6)	6.94E-05	9.62E-05	9.74E-06	1.32E-05	3.40E-05	2.48E-05	2.84E-05	3.68E-05	3.56E-05	3.72E-05	2.72E-05	0.000162333	4.12E-05	5.46E-05	1.324866293	0.405846768	0.61656605	0.195074467	unchanged
pos_626	Thymidine	0.06161552	0.045489824	0.14580599	0.070826972	0.081822539	0.071448584	0.007339296	0.016912619	0.014080766	0.006031235	0.005552379	0.00519789	0.079501572	0.009185698	0.115541082	-3.113522185	0.003956118	1.209603926	down
pos_627	DL-Arginine	7.12E-05	0.00013289	6.67E-06	5.41E-05	8.76E-05	4.72E-05	1.49E-05	2.13E-06	2.13E-05	7.02E-06	8.91E-06	9.76E-05	6.66E-05	2.53E-05	0.379716346	-1.397005988	0.099558514	0.774453563	unchanged
pos_628	Tryptophyl-Histidine	2.32E-05	0.000129937	5.55E-06	5.91E-05	1.40E-05	1.76E-05	0.000345111	1.55E-05	5.21E-05	5.45E-05	0.000286954	0.000160361	4.16E-05	0.000152431	3.666639639	1.874458483	0.108445679	0.725084585	unchanged
pos_629	"3,4-Dihydroxymandelic acid"	0.001176577	0.001186588	0.001294226	0.001408989	0.001446377	0.00161717	0.002278363	0.001814101	0.001922522	0.001900937	0.001719997	0.002197986	0.001354988	0.001972318	1.455597935	0.54161191	0.000347828	1.303384073	up
pos_630	Colforsin	5.95E-05	0.00014769	7.68E-06	3.85E-05	2.54E-05	3.73E-05	3.48E-05	1.90E-05	2.03E-05	8.58E-05	3.58E-05	0.000298691	5.27E-05	8.24E-05	1.56423377	0.645456136	0.561647974	0.241570117	unchanged
pos_631	Tyrosyl-Aspartate	0.000182925	0.000184404	8.72E-05	9.58E-05	0.000159343	0.000124419	0.000235816	0.000146435	0.000145611	0.000154878	0.000136365	0.000585924	0.000139017	0.000234172	1.684487268	0.752309524	0.249202446	0.53618429	unchanged
pos_632	Deoxycoformycin	0.000458231	0.000783354	0.000170076	0.000405927	0.000302256	0.000387142	0.000532328	0.000348435	0.000443015	0.000535102	0.000687469	0.00097303	0.000417831	0.000586563	1.403828106	0.489366294	0.200086496	0.524479794	unchanged
pos_633	Phenylalanyl-Threonine	0.000346472	0.000663073	2.91E-05	0.000267125	0.000118161	0.000232564	0.000465767	0.000151393	0.000216133	0.000488079	0.000573086	0.000433583	0.000276074	0.000388007	1.405442872	0.491024813	0.345484809	0.366501171	unchanged
pos_634	Limonene aldehyde	0.003098375	0.001988538	0.001829073	0.002711441	0.002238276	0.002046228	0.002150727	0.001873301	0.002262943	0.001056005	0.001567487	0.001255553	0.002318655	0.001694336	0.730740873	-0.45256819	0.050642476	0.834842707	unchanged
pos_635	Cycloheximide	8.93E-06	2.82E-05	6.44E-07	3.99E-06	5.09E-06	5.53E-06	2.28E-05	4.28E-07	9.22E-07	1.25E-05	4.19E-06	0.000179373	8.73E-06	3.67E-05	4.201824334	2.071015849	0.377970338	0.413421712	unchanged
pos_636	Vanylglycol	4.18E-06	4.23E-06	3.04E-06	3.46E-06	6.06E-06	4.18E-06	7.59E-06	6.79E-06	5.77E-06	5.10E-06	5.07E-06	6.93E-06	4.19E-06	6.21E-06	1.481336252	0.566899158	0.007300846	1.092112027	up
pos_637	L-phenylalanyl-L-proline	8.50E-05	7.40E-05	9.32E-05	0.000112719	0.000108252	0.000118399	0.000181149	0.000156007	0.000160271	0.000148336	0.000133046	0.000174677	9.86E-05	0.000158914	1.611467091	0.688374726	0.000132924	1.340572069	up
pos_638	"5,8,11-Eicosatriynoic Acid"	1.09E-05	1.22E-05	6.43E-06	1.72E-05	1.19E-05	2.53E-05	3.38E-05	1.67E-05	2.07E-05	1.56E-05	1.53E-05	2.34E-05	1.40E-05	2.09E-05	1.497208977	0.582275604	0.107219244	0.761799798	unchanged
pos_639	Threoninyl-Glutamine	5.66E-06	3.61E-06	5.27E-06	4.90E-06	7.88E-06	9.98E-06	1.05E-05	8.48E-06	1.06E-05	8.82E-06	8.21E-06	1.30E-05	6.22E-06	9.94E-06	1.599023373	0.677191027	0.011779507	1.048543735	up
pos_640	Tyrosyl-Asparagine	2.55E-05	2.85E-05	2.34E-05	3.18E-05	2.22E-05	2.53E-05	4.08E-05	4.14E-05	3.14E-05	4.08E-05	2.67E-05	4.34E-05	2.61E-05	3.74E-05	1.433476852	0.519518607	0.007136641	1.149017808	up
pos_641	Maltotriose	0.003506693	0.003161766	0.002356574	0.002845528	0.002979802	0.00259687	0.003165303	0.003064383	0.003393208	0.00279697	0.002962701	0.003329814	0.002907872	0.00311873	1.072512621	0.100994625	0.300765029	0.444608911	unchanged
pos_642	p-Hydroxycinnamaldehyde	7.10E-05	5.48E-05	4.68E-05	4.95E-05	7.31E-05	6.56E-05	7.58E-05	0.000109132	8.36E-05	6.07E-05	0.000105271	8.01E-05	6.01E-05	8.58E-05	1.426132964	0.512108496	0.018798152	0.983989789	unchanged
pos_643	N-(omega)-Hydroxyarginine	0.003687788	0.000865311	0.001419241	0.000918091	0.002012946	0.001762175	0.000910835	0.00073896	0.000842331	0.000812031	0.000850357	0.001001897	0.001777592	0.000859402	0.483463935	-1.048519823	0.082866355	0.874212299	unchanged
pos_644	Linustatin	0.000342519	0.000199799	0.000565412	0.00016088	0.000321142	0.000221945	3.08E-06	1.02E-05	5.95E-06	3.12E-06	3.29E-06	3.06E-06	0.000301949	4.78E-06	0.015844017	-5.97991807	0.004283035	1.237128482	down
pos_645	Tryptophyl-Glutamine	9.31E-06	5.22E-06	2.84E-06	3.88E-06	8.12E-06	8.44E-06	1.47E-06	3.56E-06	6.30E-06	2.41E-06	4.01E-06	2.36E-06	6.30E-06	3.35E-06	0.532036028	-0.91040415	0.050811182	0.897148333	unchanged
pos_646	16b-Hydroxyestradiol	8.40E-06	9.05E-06	5.81E-06	9.96E-06	1.17E-05	1.74E-05	2.00E-05	1.20E-05	2.28E-05	1.78E-05	2.08E-05	2.49E-05	1.04E-05	1.97E-05	1.897801539	0.924329131	0.003406069	1.120086758	up
pos_647	4-Hydroxy-2H-pyran-3-carboxaldehyde	0.000787125	0.000798064	0.000152364	0.000494203	0.000532697	0.00067157	0.000686462	0.00079617	0.000377773	0.00045789	0.001096907	0.000569171	0.00057267	0.000664062	1.159588379	0.21361278	0.54241225	0.229042267	unchanged
pos_648	Amlodipine	0.008295081	0.004345638	0.012510644	0.006838911	0.009457459	0.006865301	0.000965935	0.002251914	0.001890779	0.000498747	0.000496755	0.00106607	0.008052172	0.001195033	0.148411298	-2.752327173	0.00132948	1.275988761	down
pos_649	Pyridoxamine 5'-phosphate	1.42E-05	1.50E-05	2.62E-05	1.71E-05	1.49E-05	1.79E-05	3.08E-05	1.91E-05	2.16E-05	2.24E-05	1.97E-05	3.15E-05	1.76E-05	2.42E-05	1.377700411	0.4622622	0.046328395	0.899398981	unchanged
pos_650	Threoninyl-Isoleucine	2.50E-05	2.12E-05	2.72E-05	4.40E-05	5.83E-05	0.000111191	0.000122105	0.000103948	0.000195408	0.000131812	0.000151146	0.000211473	4.78E-05	0.000152649	3.1921391	1.67452352	0.000932717	1.21903676	up
pos_651	Clarithromycin	0.001490754	0.001128609	0.001153197	0.000937039	0.001544917	0.002127598	0.000520008	0.000670622	0.000526371	0.000572276	0.0003977	0.000430716	0.001397019	0.000519616	0.371946022	-1.426834828	0.003347572	1.234414875	down
pos_652	2-Thiocytidine	2.85E-05	4.05E-05	5.18E-05	3.15E-05	2.82E-05	2.88E-05	1.97E-05	1.89E-05	1.15E-05	6.21E-06	1.82E-05	2.83E-05	3.49E-05	1.71E-05	0.491549155	-1.024592402	0.005456038	1.085191096	down
pos_653	Amoxicillin	1.03E-05	1.12E-05	8.05E-06	1.73E-05	1.02E-05	1.78E-05	5.73E-06	1.62E-06	3.03E-06	6.27E-07	3.62E-06	2.55E-05	1.25E-05	6.69E-06	0.536010336	-0.899667275	0.20917332	0.587200931	unchanged
pos_654	Daidzin	0.001270338	0.001586148	0.001185519	0.002296714	0.001424751	0.001774296	0.001926467	0.003654467	0.002434847	0.001963228	0.003419646	0.001941834	0.001589627	0.002556748	1.608394515	0.685621321	0.029796658	0.964993651	unchanged
pos_655	Salvinorin A	0.001370183	0.002855019	0.000776483	0.002690878	0.000873044	0.001537479	0.000859944	0.000560646	0.000592876	0.000597008	0.001281501	0.000796067	0.001683848	0.00078134	0.464020746	-1.107738786	0.056221254	0.899245221	unchanged
pos_656	Icariin	0.000973515	0.001226352	0.002707518	0.002447972	0.001113983	0.002009362	0.000627661	0.000729795	0.000735558	0.000505367	0.000596392	0.000599778	0.00174645	0.000632425	0.362120275	-1.46545914	0.014017636	1.062268738	down
pos_657	Tryptophyl-Lysine	2.56E-05	1.49E-05	2.66E-05	3.46E-05	3.68E-05	3.31E-05	0.000146948	7.81E-05	3.83E-05	1.84E-05	2.17E-05	3.41E-05	2.86E-05	5.62E-05	1.965662059	0.975015312	0.230606446	0.649254156	unchanged
pos_658	Acyclovir	9.17E-06	9.20E-06	9.34E-06	1.02E-05	9.69E-06	9.02E-06	1.61E-05	1.56E-05	1.28E-05	1.38E-05	1.36E-05	1.62E-05	9.44E-06	1.47E-05	1.555565202	0.637438867	0.000165365	1.39786071	up
pos_659	Dodecylbenzenesulfonic acid	4.56E-05	9.15E-05	2.44E-06	1.21E-05	1.98E-05	1.39E-05	4.31E-05	1.47E-05	1.60E-05	3.60E-05	1.44E-05	0.000176604	3.09E-05	5.01E-05	1.62257411	0.698284374	0.528287526	0.268126151	unchanged
pos_660	17alpha-Hydroxyprogesterone	0.000246989	0.000116219	0.000164733	0.000157692	0.000145847	0.000116609	0.00016565	0.000130177	8.99E-05	7.20E-05	6.29E-05	9.76E-05	0.000158015	0.000103037	0.652071172	-0.616898656	0.055110064	0.820377267	unchanged
pos_661	Jasmonic acid	5.19E-05	0.000134847	5.22E-06	1.86E-05	2.76E-05	1.38E-05	0.000220546	6.02E-05	0.000104374	6.02E-05	5.26E-05	0.000956129	4.20E-05	0.000242339	5.769990956	2.528569058	0.227500158	0.575492733	unchanged
pos_662	L-Anserine	0.000352083	0.000969162	5.77E-05	0.00023144	0.000155098	0.000214945	0.000430656	0.000304639	0.000319943	0.000373472	0.000406435	0.001211372	0.000330073	0.000507753	1.538305249	0.621341809	0.384076171	0.367599065	unchanged
pos_663	Lysyl-Aspartate	3.49E-06	3.53E-06	3.09E-06	5.43E-06	4.24E-06	3.56E-06	7.23E-06	1.02E-05	9.93E-06	7.40E-06	8.71E-06	1.37E-05	3.89E-06	9.52E-06	2.446658982	1.290813031	0.001359206	1.281809674	up
pos_664	Lysyl-Asparagine	0	0	0	0	0	0	1.22E-06	0	1.37E-06	0	0	6.69E-07	0	5.43E-07	Inf	Inf	0.091800377	0.840073761	unchanged
pos_665	3'-Hydroxyropivacaine	0.002294278	0.002198387	0.002392324	0.002801567	0.002950735	0.003286076	0.00467769	0.004355867	0.004470968	0.004089292	0.003875833	0.004951599	0.002653895	0.004403541	1.659275203	0.730553188	2.41E-05	1.379810694	up
pos_666	Sphinganine	0.00123897	0.001441895	0.001635883	0.00146729	0.001585835	0.00270591	0.003035678	0.002552969	0.004772327	0.002637796	0.00283854	0.003363152	0.001679297	0.003200077	1.905605046	0.930249139	0.004581551	1.150441961	up
pos_667	10-hydroxy capric acid	8.41E-07	1.60E-06	9.53E-07	2.44E-06	3.80E-07	3.89E-06	9.59E-06	4.63E-06	9.06E-06	2.66E-06	6.85E-06	2.53E-06	1.68E-06	5.89E-06	3.495991397	1.805701634	0.019197389	1.049895967	up
pos_668	"5,10-methylene-THF"	6.04E-05	0.000351226	7.00E-05	0.000281593	5.92E-05	0.000106341	1.67E-06	1.79E-05	3.57E-06	2.09E-07	3.89E-06	0	0.000154795	4.55E-06	0.0293847	-5.08879104	0.034955851	0.983369393	unchanged
pos_669	"4,6-Dioxoheptanoic acid"	0.000101646	9.49E-05	0.000205179	0.000149386	0.000138397	0.000142492	0.000226388	0.000318856	0.000231593	0.000212489	0.000196384	0.000109335	0.000138671	0.000215841	1.556494312	0.638300304	0.041636713	0.959413991	unchanged
pos_670	Lysyl-Proline	1.58E-07	1.33E-07	2.48E-05	4.16E-08	6.96E-07	6.03E-07	2.25E-05	9.03E-07	2.35E-05	1.15E-06	3.26E-07	1.16E-06	4.41E-06	8.26E-06	1.873791993	0.90596081	0.548658216	0.33620175	unchanged
pos_671	"Heptanoic acid, ethyl ester"	4.74E-05	3.40E-05	2.69E-05	3.43E-05	3.94E-05	4.11E-05	5.43E-07	1.50E-06	1.12E-06	2.98E-06	4.33E-06	5.02E-06	3.72E-05	2.58E-06	0.069425024	-3.848400415	3.55E-05	1.439446071	down
pos_672	Butyl lactate	0.000495001	0.000225644	0.000201543	0.000222687	0.000402493	0.000323033	0.00059185	0.000746182	0.000473963	0.000728338	0.00066174	0.00088331	0.000311734	0.000680897	2.184227467	1.127123108	0.000648098	1.215595918	up
pos_673	CDP-ethanolamine	4.00E-06	3.08E-06	2.08E-06	2.12E-06	5.95E-06	1.38E-06	8.30E-06	7.94E-06	1.35E-06	1.32E-07	8.05E-06	3.20E-06	3.10E-06	4.83E-06	1.556234305	0.638059287	0.333766622	0.461669989	unchanged
pos_674	Galactosylceramide (d18_1_18_0)	0.046872971	0.045701852	0.044567976	0.025808793	0.015495502	0.00885125	0.007414033	0.004468732	0.004125863	0.002997532	0.002147071	0.002267917	0.031216391	0.003903525	0.125047273	-2.999454496	0.010207662	1.167667378	down
pos_675	Helenalin	0.000784583	0.001239477	0.000169532	0.000463678	0.000458248	0.000270698	0.001466617	0.000492607	0.001191712	0.000329582	0.000311709	0.005410302	0.000564369	0.001533755	2.717643346	1.442356134	0.284118893	0.508939837	unchanged
pos_676	Aloin A	8.85E-05	1.51E-05	6.79E-05	1.59E-05	8.30E-05	5.30E-05	0	0	1.16E-05	0	0	1.40E-06	5.39E-05	2.17E-06	0.040291711	-4.633373111	0.010619032	1.158884307	down
pos_677	Alanyl-Lysine	8.34E-06	6.92E-06	7.50E-06	9.09E-06	9.09E-06	1.01E-05	1.40E-05	1.31E-05	1.21E-05	1.25E-05	1.01E-05	1.23E-05	8.50E-06	1.24E-05	1.453063588	0.539097838	0.000308535	1.312122177	up
pos_678	Pergolide	8.88E-06	7.03E-07	0	4.90E-07	2.53E-06	0	1.45E-05	3.25E-05	1.81E-05	6.00E-06	1.43E-05	2.02E-05	2.10E-06	1.76E-05	8.38362262	3.067573777	0.005843623	1.178245392	up
pos_679	phosphatidylinositol	2.34E-05	0	2.03E-05	5.92E-07	2.15E-05	0	2.50E-06	1.76E-05	6.29E-06	8.67E-07	1.08E-05	6.19E-06	1.10E-05	7.37E-06	0.67102426	-0.57556317	0.526526019	0.316621879	unchanged
pos_680	Glutamyl-Valine	0.02050778	0.016045043	0.013580496	0.014674693	0.020228981	0.018572234	0.025549688	0.026687845	0.0206739	0.02902731	0.021830304	0.03041769	0.017268205	0.025697789	1.488156407	0.573526164	0.001945244	1.170207835	up
pos_681	Valeric acid	0.00028021	0.000202795	0.000190954	0.000222166	0.000317496	0.000281886	0.000361384	0.000383838	0.000294451	0.00044291	0.000339284	0.000398412	0.000249251	0.000370047	1.484632744	0.570106093	0.002136644	1.153253529	up
pos_682	Histidinyl-Tryptophan	0.000770099	0.002111417	0.000353858	0.001070109	0.000522186	0.000558058	0.005470911	0.000763682	0.001632795	0.001582204	0.005817264	0.002549462	0.000897621	0.002969386	3.30806087	1.725985781	0.065298826	0.819753886	unchanged
pos_683	Nobiletin	0.001338539	0.000692416	0.001565837	0.000674851	0.001251585	0.000858406	9.16E-05	8.83E-05	0.000106373	4.63E-05	5.66E-05	8.92E-05	0.001063606	7.97E-05	0.07495268	-3.737876117	0.001289727	1.325275387	down
pos_684	Pyridoxine 5-phosphate	0.000643847	0.000457246	0.000312758	0.000396335	0.000656254	0.0006314	0.000724156	0.001039319	0.000591602	0.000701285	0.000800345	0.001093801	0.000516307	0.000825085	1.598051522	0.676313922	0.013409788	1.013539983	up
pos_685	N-Acetyl-L-Histidine	4.59E-05	2.32E-05	0.000132042	2.28E-05	4.94E-05	3.42E-05	3.68E-05	3.57E-05	7.07E-05	2.42E-05	3.40E-05	4.89E-05	5.13E-05	4.17E-05	0.81390426	-0.297068995	0.614481875	0.214302702	unchanged
pos_686	Formononetin	0.000665432	0.000387019	0.000639352	0.000424508	0.000710648	0.000656619	0.000166655	0.000218698	0.00019426	0.000108761	0.000123243	0.000125118	0.000580596	0.000156123	0.268900706	-1.89485455	0.000365501	1.341077436	down
pos_687	Tridecanoic acid (Tridecylic acid)	8.92E-05	7.26E-05	0.000137677	8.96E-05	0.000107706	0.000100711	0.000172992	0.00021499	0.00025133	0.00025876	0.000183765	0.00031258	9.96E-05	0.000232403	2.333543172	1.222522158	0.000819482	1.292379194	up
pos_688	Imipramine	0.000485131	0.00019679	0.000386187	0.000376421	0.000641861	0.000520691	0.001281007	0.000733017	0.000537853	0.000375855	0.000417566	0.00056261	0.000434513	0.000651318	1.498959458	0.583961364	0.190086697	0.669130878	unchanged
pos_689	Tacrolimus	0.000976216	0.000730219	0.000828392	0.000652587	0.000421363	0.000571237	0.001112451	0.001397816	0.000804624	0.000797073	0.000517657	0.000831953	0.000696669	0.000910262	1.306591978	0.385808687	0.183465042	0.666346134	unchanged
pos_690	Kojic Acid	2.02E-05	1.14E-05	1.26E-05	1.07E-05	2.05E-05	1.56E-05	1.98E-05	2.81E-05	2.32E-05	1.74E-05	3.12E-05	3.70E-05	1.52E-05	2.61E-05	1.721560377	0.783716778	0.013955876	1.005042739	up
pos_691	S-Adenosylmethionine	0.000542563	0.000484102	0.000155381	0.000281664	0.000338297	0.000325544	0.000813948	0.000420368	0.000572039	0.001094775	0.001490667	0.000982779	0.000354592	0.000895763	2.526180421	1.336957681	0.016479115	0.978403508	unchanged
pos_692	Leukotriene D4	0.000127944	0.000127592	0.000162387	0.000177481	0.000146106	0.000183691	0.000260657	0.00022245	0.000269345	0.000218308	0.000196114	0.000244637	0.0001542	0.000235252	1.525626646	0.609401946	0.000332688	1.314027724	up
pos_693	Acetyl coenzyme A (Acetyl-CoA)	4.96E-06	7.89E-06	1.72E-05	1.04E-05	9.47E-06	9.36E-06	0.000111072	2.31E-05	4.24E-05	6.48E-05	5.95E-05	0.000106565	9.89E-06	6.79E-05	6.868691969	2.780035387	0.009367932	1.157164816	up
pos_694	Camptothecin	0.00081136	0.001550354	0.001273081	0.002195303	0.001124841	0.001824112	0.000362582	0.000636282	0.000376421	0.000356707	0.000344685	0.00021954	0.001463175	0.000382703	0.26155633	-1.934806412	0.002508934	1.216093719	down
pos_695	Arginyl-Serine	1.50E-06	2.19E-05	8.52E-07	9.78E-06	4.45E-08	0	2.11E-06	0	0	0	4.75E-06	0	5.69E-06	1.14E-06	0.201274105	-2.31276652	0.266773594	0.559941023	unchanged
pos_696	Tryptophyl-Asparagine	0.001069955	0.000988085	0.000680414	0.0008344	0.000943126	0.000954793	0.001011508	0.001060637	0.00087833	0.001471662	0.000978953	0.001263849	0.000911796	0.001110823	1.218280906	0.284846823	0.092821123	0.711481778	unchanged
pos_697	11-Keto-.beta.-boswellic acid	1.96E-05	1.90E-05	1.39E-05	1.32E-05	1.38E-05	1.13E-05	0.000185887	2.20E-05	0.000134479	1.48E-05	1.60E-05	2.34E-05	1.52E-05	6.61E-05	4.361538362	2.124837079	0.156019072	0.724830291	unchanged
pos_698	Parthenolide	0.000545551	0.000505273	2.38E-05	0.000378963	0.000150778	0.000170302	0.000182878	3.21E-05	4.42E-05	7.25E-05	0.000304304	0.000157732	0.000295786	0.000132278	0.447208414	-1.160980763	0.131578214	0.76430577	unchanged
pos_699	Methionyl-Tyrosine	0	0	0	0	0	0	1.52E-05	5.01E-06	3.42E-05	3.46E-05	1.77E-05	2.36E-05	0	2.17E-05	Inf	Inf	0.005698451	1.192030664	up
pos_700	"7,8-Dihydrofolate"	0.000638411	0.000801724	0.000170779	0.000440226	0.000482107	0.000498944	0.000235902	0.000419705	0.000314613	0.000315955	0.000303693	0.0005539	0.000505365	0.000357295	0.707003227	-0.500211295	0.169575152	0.681728483	unchanged
pos_701	2'-Deoxyuridine	0.00239408	0.001979221	0.004109721	0.002852271	0.003304266	0.002723989	0.002765394	0.003369078	0.002609887	0.002249647	0.002227911	0.001626195	0.002893925	0.002474685	0.855131172	-0.225782357	0.305639207	0.400381902	unchanged
pos_702	"PG(18_2(9Z,12Z)_18_0)"	0.008992166	0.00285805	0.008563554	0.00368751	0.011700254	0.003736813	0.005994827	0.010913957	0.014280049	0.007313089	0.006657027	0.011136133	0.006589725	0.009382514	1.423809685	0.50975632	0.191273813	0.602562231	unchanged
pos_703	Minoxidil	2.67E-05	1.24E-05	1.94E-06	5.16E-08	8.53E-06	3.01E-06	1.66E-05	1.52E-05	6.48E-06	6.54E-06	1.51E-05	3.98E-05	8.78E-06	1.66E-05	1.891321147	0.919394355	0.252100076	0.482632955	unchanged
pos_704	Methacycline	0.000559464	0.000355771	0.0003013	0.000527155	0.000799504	0.000671251	0.000222224	0.000248079	0.000230058	0.000167039	0.000215021	0.000152066	0.000535741	0.000205748	0.384043762	-1.380657378	0.006984135	1.177559799	down
pos_705	Threoninyl-Arginine	1.21E-05	1.21E-05	1.22E-05	1.66E-05	1.56E-05	1.83E-05	2.67E-05	2.06E-05	2.38E-05	1.87E-05	1.99E-05	2.58E-05	1.45E-05	2.26E-05	1.559340175	0.640935691	0.000978755	1.252208073	up
pos_706	Daunorubicin	0.000736365	0.000489849	0.001941874	0.000373304	0.000668148	0.000323158	0.000334685	0.000251183	0.000328261	0.000204452	0.000308151	0.00036763	0.00075545	0.00029906	0.39587076	-1.336898586	0.123325275	0.727159705	unchanged
pos_707	Deoxyinosine	0.003928216	0.002616598	0.009234694	0.002191198	0.003592308	0.00149123	0.001544833	0.001130955	0.001835699	0.001440284	0.001399645	0.001815578	0.003842374	0.001527832	0.39762716	-1.330511791	0.097940445	0.782860958	unchanged
pos_708	Pyrethrosin	0.000833282	0.002478295	0.000637049	0.003063516	0.000424232	0.001183943	0.000666845	0.000135065	0.000192395	0.000257105	0.00134559	0.000127621	0.00143672	0.000454103	0.316069635	-1.661685654	0.081581695	0.804883016	unchanged
pos_709	S-Lactoylglutathione	0.000494554	0.00069336	0.000784411	0.000958662	0.000548894	0.000891819	0.001234957	0.00159861	0.000725752	0.00075836	0.00075336	0.000981355	0.000728617	0.001008733	1.384448574	0.469311465	0.122267824	0.796610953	unchanged
pos_710	7-Methylguanosine	3.46E-06	2.36E-05	0	1.97E-05	2.07E-07	4.62E-06	0	0	0	0	0	0	8.60E-06	0	0	#NAME?	0.097351063	0.798081404	unchanged
pos_711	4-thiouridine	0	2.08E-07	0	1.51E-07	4.70E-08	6.16E-08	5.23E-06	8.97E-08	1.78E-06	6.34E-06	3.60E-06	7.22E-06	7.79E-08	4.04E-06	51.89738989	5.697590077	0.016593584	1.06988002	up
pos_712	5-oxo-pentanoic acid	8.51E-06	1.04E-05	9.75E-06	1.29E-05	1.43E-05	1.51E-05	2.41E-06	1.09E-06	1.99E-06	2.62E-06	2.88E-06	2.94E-06	1.18E-05	2.32E-06	0.196332136	-2.348631763	0.000194198	1.373212404	down
pos_713	N.alpha.-Acetyl-L-lysine	0	0	8.44E-07	0	4.23E-07	0	6.59E-07	1.94E-06	9.27E-07	2.93E-06	7.25E-07	4.39E-06	2.11E-07	1.93E-06	9.139464025	3.192109562	0.036246682	0.964195289	unchanged
pos_714	Bergenin	0.000123664	0.000119153	8.76E-05	9.76E-05	0.000185987	0.000197622	0.000144135	0.000172453	0.000176023	0.000232094	0.000200319	0.000203592	0.000135282	0.000188103	1.390454283	0.475556311	0.044436738	0.842427166	unchanged
pos_715	Tryptophyl-Tryptophan	0.000312547	0.000304294	0.000110149	0.000202099	0.000270854	0.000264752	0.000426103	0.000300446	0.000372861	0.000444776	0.000517466	0.000868372	0.000244116	0.000488337	2.000431123	1.000310956	0.029115246	0.930118591	unchanged
pos_716	Budesonide	0.001089312	0.001122752	0.000185296	0.000384258	0.000611774	0.000638024	0.000216536	0.000192094	0.000350651	0.000165799	0.00012042	0.000546797	0.000671902	0.000265383	0.394972175	-1.340177072	0.045567995	0.950069396	unchanged
pos_717	Atorvastatin	0.000360198	0.000226141	0.000343278	0.000474825	0.000377107	0.000573461	0.000921551	0.000721652	0.000759995	0.000759279	0.000633602	0.000965512	0.000392502	0.000793599	2.02189967	1.01571141	0.000207776	1.31279418	up
pos_718	15-keto-Prostaglandin E2	7.83E-06	7.04E-06	7.42E-06	7.41E-06	9.25E-06	8.47E-06	1.26E-05	1.17E-05	1.22E-05	1.18E-05	1.12E-05	1.12E-05	7.90E-06	1.18E-05	1.492270316	0.577508895	5.73E-06	1.408618994	up
pos_719	D-Neopterin	8.91E-06	1.38E-05	1.05E-05	1.34E-05	8.07E-06	9.04E-06	2.07E-05	1.52E-05	1.29E-05	2.01E-05	1.14E-05	1.58E-05	1.06E-05	1.60E-05	1.504551572	0.589333559	0.017287026	1.030228316	up
pos_720	Picolinic acid	9.38E-06	1.04E-05	9.17E-06	1.04E-05	1.16E-05	1.10E-05	1.94E-05	1.85E-05	1.75E-05	1.54E-05	1.67E-05	2.10E-05	1.03E-05	1.81E-05	1.749685335	0.80709549	4.91E-05	1.398588863	up
pos_721	Phenylacetic acid	0.000473072	0.000171759	0.00052721	0.000212904	0.000465315	0.000415157	0.000167507	0.000114349	0.000153311	0.000100697	0.000128819	0.000126485	0.000377569	0.000131861	0.349237125	-1.517721166	0.009245768	1.153747445	down
pos_722	N-Acetyl-D-galactosamine	0.000132959	0.000132947	7.32E-05	0.000106072	0.000132658	0.000122393	0.000126494	0.00011655	0.000148266	0.000138048	0.000147057	0.000232422	0.0001167	0.000151473	1.297969921	0.376256951	0.112872479	0.67352549	unchanged
pos_723	Esculetin	4.17E-06	3.80E-06	4.20E-06	4.09E-06	5.86E-06	5.77E-06	9.11E-06	1.04E-05	2.22E-05	6.51E-06	1.15E-05	1.27E-05	4.65E-06	1.21E-05	2.596525966	1.376582653	0.019194726	1.073551859	up
pos_724	Coenzyme Q1	2.36E-05	4.09E-05	2.78E-05	5.31E-05	1.65E-05	2.40E-05	4.04E-06	1.05E-06	4.33E-06	1.02E-06	2.96E-06	6.27E-06	3.10E-05	3.28E-06	0.105754158	-3.241213713	0.003710847	1.230085109	down
pos_725	Macluroxanthone	0.002081225	0.001266282	0.000390496	0.001053385	0.001492636	0.001798871	0.001391384	0.001171651	0.001023039	0.001654929	0.001195946	0.001336517	0.001347149	0.001295578	0.961718252	-0.056313795	0.848388125	0.14768167	unchanged