Compound_ID	Name	Other_name(Kegg_name)	Formula	Molecular Weight	RT [min]	Kegg_ID	KEGG_pathway	HMDB_ID	Lipidmaps_ID	SuperClass(HMDB)	Class(HMDB)	SubClass(HMDB)	CATEGORY(Lipidmaps)	MAIN_CLASS(Lipidmaps)	SUB_CLASS(Lipidmaps)	mzCloud_Results	mzVault_Results	MassList_Results	m/z	pos_HC1	pos_HC2	pos_HC3	pos_HC4	pos_HC5	pos_HC6	pos_NC1	pos_NC2	pos_NC3	pos_NC4	pos_NC5	pos_NC6	FC	log2FC	Pvalue	ROC	VIP	Up.Down
Com_10171_pos	4-fluoro-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide	--	C17 H20 F N3 O2 S	349.1256	13.614	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	350.13284	615571.705446	1083739.84193	655291.094358	616307.313049	534320.11349	363381.965781	163615.04497	121098.444664	82378.8534574	182201.890051	209759.481447	132894.066165	4.33726291777078	2.11678489966	2.49905110836886e-05	1	2.69062601212486	up
Com_9219_pos	3-(2-Naphthyl)-D-Alanine	--	C13 H13 N O2	215.0938	11.673	--	--	--	--	--	--	--	--	--	--	No results	No results	Full match	216.10126	1126407.80096	955598.108499	906607.876622	867898.98209	1057899.40886	2205418.0246	486491.601981	243321.493162	383851.345477	258369.179369	291478.57729	251690.691623	3.71753313598689	1.8943456017	4.06354129217957e-05	1	3.07624092394291	up
Com_2047_pos	3-(2-Hydroxyethyl)indole	--	C10 H11 N O	161.08408	9.856	--	--	HMDB0003447	--	Organoheterocyclic compounds	Indoles and derivatives	Indoles	--	--	--	Full match	No results	No results	162.09137	12675162.0013	7208325.21001	10153098.3644	8828862.49173	13864719.2837	9748397.84568	4147474.93309	2193444.126	5147888.69511	2192619.39023	2831410.52096	2155000.61079	3.34685592795938	1.7428064487	9.69462601769168e-05	1	2.31543343324397	up
Com_1543_pos	Sphingosine (d18:1)	--	C18 H37 N O2	281.27145	13.095	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	282.27878	17995235.1441	8833848.22673	22183160.4063	14245430.0727	20636831.4266	19777977.5491	4279944.62157	8041601.74141	7684574.12296	2529665.27204	6093988.7768	6037814.9661	2.99047278216152	1.58037358695	0.000659271284755244	1	2.64829864933701	up
Com_5275_pos	2,6-Dihydroxypurine	--	C5 H4 N4 O2	152.03328	5.495	--	--	HMDB0000292	--	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	--	--	--	No results	No results	Full match	153.04056	214954.298151	345680.333535	464713.383358	570838.809347	276220.750557	550736.797654	834809.446051	1044954.71967	4382426.0293	2916192.83243	1643611.01213	1610073.78313	0.194910807048155	-2.35911401023	0.000777011734798842	1	2.49234784631898	down
Com_50_pos	Inosine	Inosine	C10 H12 N4 O5	268.08047	3.569	cpd:C00294	map00230  Purine metabolism;map01100  Metabolic pathways	HMDB0000195	--	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	_	--	--	--	Full match	Full match	Full match	269.08765	961889906.051	486082107.093	636678263.835	614430021.759	478286555.015	916961549.353	1871309980.75	1309717518.93	1977985877.18	1179512411.76	983535867.601	1217557390.14	0.479450942820537	-1.06054488792	0.00126632586596957	1	2.0451228118496	down
Com_8651_pos	TAG (16:1-18:1-18:2)	--	C55 H98 O6	871.75676	16.338	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	872.76404	152436.859913	329858.396919	331785.086933	417884.746692	603105.675653	2077863.92583	101771.195428	51776.3963595	117187.115046	65919.1134381	63250.0635648	54241.3991443	8.61604169101606	3.10702523076	0.00237211305807953	1	2.18278569128393	up
Com_573_pos	5-Methyluridine	--	C10 H14 N2 O6	258.08636	2.02	--	--	HMDB0000884	--	"Nucleosides, nucleotides, and analogues"	Pyrimidine nucleosides	_	--	--	--	No results	No results	Full match	259.09363	26523968.4837	23484423.174	21371905.8855	24169821.7691	12164672.8672	26238600.6316	67960791.6166	48137184.0588	44006097.2949	63621668.4824	26059107.1821	36421697.8692	0.468030499117978	-1.09532554907	0.00306853897157092	0.944444444444444	1.88048321747832	down
Com_201_pos	L-Pipecolate	L-Pipecolate; Pipecolinic acid; Pipecolic acid; 2-Piperidinecarboxylic acid; (S)-Piperidine-2-carboxylic acid	C6 H11 N O2	129.07903	1.143	cpd:C00408	map00310  Lysine degradation;map01100  Metabolic pathways	HMDB0000716	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	No results	No results	Full match	130.0863	334275961.552	119022699.082	172647044.583	212190461.803	218356390.883	365749328.678	105180516.575	82710378.8336	156640745.124	116646806.44	81699461.4279	75108129.5312	2.30141427036283	1.20252070195	0.0038955522589018	0.972222222222222	1.92396696881323	up
Com_8339_pos	Decanoylcarnitine	--	C17 H33 N O4	315.24042	11.487	--	--	HMDB0000651	LMFA07070059	Lipids and lipid-like molecules	Fatty Acyls	Fatty acid esters	Fatty Acyls [FA]	Fatty esters [FA07]	Fatty acyl carnitines [FA0707]	Full match	Invalid mass	No results	316.24771	315548.451088	324849.505761	229832.79406	402915.184074	401745.924933	422596.770031	505998.057024	514696.835345	838309.13605	669509.300954	1490381.29151	671275.271122	0.447209520815534	-1.16097719229	0.00402432210337047	1	2.03277373760257	down
Com_7025_pos	Cholecalciferol	Vitamin D3; Cholecalciferol; Calciol	C27 H44 O	384.33874	14.756	cpd:C05443	map00100  Steroid biosynthesis;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption;map05323  Rheumatoid arthritis	HMDB0000876	--	Lipids and lipid-like molecules	Steroids and steroid derivatives	Vitamin D and derivatives	--	--	--	Full match	No results	No results	385.34546	292336.427005	980340.115049	428032.837961	776911.00684	290569.69576	335061.183085	1120674.38267	2015570.832	1887767.3023	1125226.76745	1967539.09254	588401.920544	0.356483284624189	-1.4880936641	0.0044156972932297	0.944444444444444	1.96213670326439	down
Com_2258_pos	L-(-)-alpha-Amino-epsilon-Caprolactam	--	C6 H12 N2 O	128.09501	1.143	--	--	--	--	--	--	--	--	--	--	No results	No results	Full match	129.10228	12754110.7389	5047078.31119	7253753.0067	7683774.92723	8850818.47531	14114581.9575	5870104.32532	3461570.68194	5834280.25584	4956942.61613	3246836.21305	3061103.19703	2.10754267097545	1.07556184141	0.0048462571957543	0.944444444444444	1.78161018084661	up
Com_5702_pos	17alpha-Hydroxyprogesterone	17alpha-Hydroxyprogesterone; 17alpha-Hydroxy-4-pregnene-3,20-dione; Pregn-4-ene-3,20-dione-17-ol; 17alpha-Hydroxy-progesterone	C21 H30 O3	330.21897	11.953	cpd:C01176	map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04913  Ovarian steroidogenesis;map04927  Cortisol synthesis and secretion;map04934  Cushing's syndrome	HMDB0000374	LMST02030161	Lipids and lipid-like molecules	Steroids and steroid derivatives	Pregnane steroids	Sterol Lipids [ST]	Steroids [ST02]	C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]	Full match	No results	Full match	331.22653	1551565.57565	1471585.67682	2293184.70093	1654749.9409	1996490.15313	2071962.92184	871518.073535	955602.970659	1687897.73282	590964.720001	1072767.16278	627440.180143	1.90133932445594	0.927016027002	0.00503003576415371	0.916666666666667	1.75451037519713	up
Com_2948_pos	N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide	--	C13 H19 N O4	270.15938	14.302	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	271.16678	2263300.35755	3644790.09592	9087167.25372	2759710.51063	2048307.43596	8391831.58055	1822444.48774	665657.296244	1225852.79595	1423928.50344	1015466.06738	1446222.98013	3.71009140366568	1.89145473024	0.005125323497981	1	2.58372314686153	up
Com_725_pos	Thiazolidine-4-carboxylic acid	--	C4 H7 N O2 S	133.01971	1.465	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	134.02698	7507482.08841	15448087.737	36345149.9565	63426237.7725	40306742.1654	23871089.3206	4387289.27994	4098693.99643	10585372.347	4375703.33565	3847948.92098	18768775.7344	4.05752142735365	2.02059871352	0.00710206164867913	0.916666666666667	2.12357438849584	up
Com_4762_pos	17beta-Trenbolone	--	C18 H22 O2	270.16141	14.227	--	--	--	--	--	--	--	--	--	--	Full match	No results	Full match	271.16852	4358563.77919	4746791.14582	4134624.34425	2453725.88169	3942267.48754	2388984.66579	2529555.98968	2051708.3567	1609123.30238	820736.695833	1781203.54322	2411427.33262	1.96585491836806	0.975156853584	0.00803552283816792	0.916666666666667	2.21112736489109	up
Com_993_pos	TAG (18:2-22:5-22:6)	--	C65 H100 O6	993.77812	16.393	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	994.7854	5926302.61892	1934790.76526	10692159.3114	4296865.14888	42478514.0473	8510536.25074	1764736.4065	974386.606942	2466102.29448	1261965.58375	1698197.12266	902758.917258	8.14269648468886	3.02550662752	0.00888097111491295	0.972222222222222	1.92550805986645	up
Com_1114_pos	PC (15:0/15:0)	--	C38 H76 N O8 P	705.53013	16.633	--	--	--	LMGP01010530	--	--	--	Glycerophospholipids [GP]	Glycerophosphocholines [GP01]	Diacylglycerophosphocholines [GP0101]	No results	Full match	No results	706.53693	20692336.0426	29070099.9249	20742038.717	21686692.3931	16800662.4593	38530028.0421	54750410.5219	28706141.8555	33773710.1107	42957369.8458	33514978.8339	42380942.1836	0.624871387628685	-0.678368813151	0.0108059274452752	0.888888888888889	2.33080042508924	down
Com_7233_pos	ACar 26:5	--	C33 H56 N O4	529.41245	13.92	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	530.4198	72469.6417944	104011.524954	162141.974165	286059.873325	66281.6688901	112277.208516	156647.090516	293209.116126	314569.280007	494382.003258	2129487.78883	621331.928552	0.200328322339869	-2.31956169166	0.0118339281430814	0.944444444444444	2.20248743926042	down
Com_2275_pos	TAG (14:0-16:0-16:1)	--	C49 H92 O6	793.71532	16.782	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	794.72266	1233034.57461	1858278.01188	1493828.33136	3251655.26334	2424128.67331	30619849.3522	851429.060088	348857.453265	435630.990813	704500.594643	530760.470779	351221.14912	12.6864379888572	3.66521515089	0.011950020493211	1	2.49785138469151	up
Com_1072_pos	TQH	--	C15 H24 N6 O6	384.17456	15.34	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	385.18201	27881481.9596	42492466.8618	36846803.4666	25506691.5543	22375187.1301	19320665.7915	17579783.2449	17270195.7272	18313619.2733	21641824.1719	15674323.0159	17562995.4777	1.6143916314354	0.69099060104	0.01285325766675	0.972222222222222	2.20254625658914	up
Com_240_pos	2,4-Dimethylbenzaldehyde	--	C9 H10 O	134.07292	12.27	--	--	HMDB0032142	--	Benzenoids	Benzene and substituted derivatives	Benzoyl derivatives	--	--	--	Full match	No results	No results	135.08032	286608517.131	322797774.239	228822870.59	238110119.414	299116414.831	446475322.835	260949744.025	154825318.553	219875569.233	227543193.964	204379829.056	175272594.845	1.46593435794247	0.551820503478	0.0148269832194393	0.944444444444444	1.88949827018998	up
Com_163_pos	Hydroxyglutaric acid	--	C5 H8 O5	148.03713	2.112	--	--	--	--	--	--	--	--	--	--	No results	No results	Full match	149.0443	49074847.684	180630003.086	235873843.587	175961163.63	148419902.696	228779149.165	192743620.084	377053390.379	516442739.626	448622110.808	311148301.945	391704507.394	0.455258627651826	-1.13524173677	0.0148288284059637	0.944444444444444	1.66008727250583	down
Com_483_pos	Pyridoxamine	Pyridoxamine; PM	C8 H12 N2 O2	168.08744	1.163	cpd:C00534	map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption	HMDB0001431	--	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxamines	--	--	--	Invalid mass	No results	No results	207.05072	107204370.026	44095354.0315	87954985.6624	99697798.2853	90611266.8393	129302363.031	45148559.6027	45809157.2968	84681287.7309	57857104.7419	44827976.6521	35014031.8434	1.78358809862798	0.834782478106	0.0156966998288289	0.861111111111111	1.44330701973511	up
Com_2191_pos	N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide	--	C12 H13 Cl F3 N O2	295.05651	1.425	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	296.06378	619148.514258	801351.544113	601484.505722	3233801.97597	1198423.63738	1325192.25456	1442777.9446	2907846.68834	5278750.37419	2104269.33254	16580494.9288	4280803.53324	0.238669000873193	-2.06691689835	0.0158484859950611	0.916666666666667	2.04643121590712	down
Com_621_pos	SM (d28:3/15:0)	--	C48 H93 N2 O6 P	824.68425	14.754	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	825.69153	8394292.24024	17274859.4956	15373815.9242	26134769.6002	18675358.3924	57755562.4703	9333127.84	7330950.49778	6600698.75115	8930333.74992	8040206.25581	8895966.56242	2.9229575828973	1.54742889333	0.0176089189569016	0.916666666666667	1.55613464351413	up
Com_4363_pos	ACar 16:0	--	C23 H46 N O4	399.33474	14.964	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No match	400.34192	2047975.41235	2179515.1647	4823902.55263	1415504.39732	850124.848416	1408686.99487	958214.812872	1109319.83005	638575.421404	738872.901931	599558.89627	963208.129459	2.54120301345938	1.34551163506	0.0178517639344048	0.916666666666667	2.28089485681	up
Com_489_pos	cis-4-Hydroxy-D-proline	cis-4-Hydroxy-D-proline	C5 H9 N O3	131.05816	1.323	cpd:C03440	map00330  Arginine and proline metabolism	--	--	--	--	--	--	--	--	Full match	Full match	Full match	132.06548	30034504.8497	48059603.7958	49463519.7502	72795168.343	20850261.4443	37452949.0562	140290681.354	99365351.934	63211888.7671	54604086.4888	70089858.7023	61421697.232	0.5289666688802	-0.918751276435	0.0179509682868071	0.888888888888889	1.1706136538024	down
Com_7299_pos	PC (18:5e/20:5)	--	C46 H74 N O7 P	783.51647	15.64	--	--	--	--	--	--	--	--	--	--	No results	Full match	No results	784.52325	1260367.62038	2690096.08089	1318052.93802	1449836.50283	2016546.64471	2155223.35206	1424664.68932	761262.114234	1458022.88895	522693.674461	1027500.35423	1037838.45443	1.7474573630015	0.805257255065	0.018257828611166	0.861111111111111	1.8772729689871	up
Com_5576_pos	Pyridoxamine 5-phosphate	Pyridoxamine phosphate; Pyridoxamine 5-phosphate; Pyridoxamine 5'-phosphate	C8 H13 N2 O5 P	248.05378	7.006	cpd:C00647	map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption	HMDB0001555	--	Organoheterocyclic compounds	Pyridines and derivatives	Pyridoxamines	--	--	--	Invalid mass	No results	No results	249.06105	1593832.23723	1666158.84195	3015891.11954	1876465.18009	2093148.84238	3089546.42554	1102289.7972	1556535.5542	2015568.82373	969389.920811	1303141.33563	1512429.17726	1.57636643258921	0.656602933926	0.018726888609483	0.916666666666667	1.53413675159688	up
Com_5018_pos	AL 8810 Methyl ester	--	C25 H33 F O4	438.22479	15.337	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	439.23181	2255343.0231	2691096.26852	3771324.84941	1797464.4389	1277598.51667	1878012.89733	1410366.91292	500419.358805	1221424.91313	1454622.16922	1128533.54653	1561365.8509	1.87870579568867	0.909739159183	0.0203088882096601	0.916666666666667	2.02131869634194	up
Com_107_pos	IRH	--	C18 H32 N8 O4	424.25818	14.849	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	425.2655	707626403.431	348245437.318	690603032.177	601537502.092	753611731.002	1093026723.46	298726139.069	515193616.063	280968114.764	563472416.4	299530861.441	437953742.185	1.75080233579585	0.808016213832	0.0206762441146963	0.916666666666667	1.92358536688924	up
Com_220_pos	Melezitose	Melezitose	C18 H32 O16	504.16868	1.424	cpd:C08243	--	HMDB0011730	--	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	--	--	--	Full match	Full match	Full match	505.17514	145380398.451	47873424.6661	126576933.629	78217252.2196	41684481.7035	151322092.191	236473312.434	290651607.705	191075863.83	171086341.492	91468771.1308	253766488.382	0.478771863559804	-1.06258972434	0.0212110489384702	0.916666666666667	1.9346945468152	down
Com_7722_pos	2'-Deoxyadenosine	Deoxyadenosine; 2'-Deoxyadenosine	C10 H13 N5 O3	251.10181	5.658	cpd:C00559	map00230  Purine metabolism;map01100  Metabolic pathways	HMDB0000101	--	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	Purine 2'-deoxyribonucleosides	--	--	--	Full match	Full match	Full match	252.10909	1460492.93547	1127449.05832	1310238.97395	682204.698859	974998.170038	1836641.6985	872436.465863	971562.048507	724426.001966	572124.052077	653937.24549	737597.000618	1.63104379104738	0.705795516739	0.0220382401423868	0.888888888888889	1.27301142600129	up
Com_297_pos	Citraconic acid	2-Methylmaleate; Citraconate; Citraconic acid; Methylmaleic acid	C5 H6 O4	130.02663	2.115	cpd:C02226	map00290  Valine, leucine and isoleucine biosynthesis;map00660  C5-Branched dibasic acid metabolism;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism	HMDB0000634	LMFA01170099	Lipids and lipid-like molecules	Fatty Acyls	Fatty acids and conjugates	Fatty Acyls [FA]	Fatty Acids and Conjugates [FA01]	Dicarboxylic acids [FA0117]	No results	No results	Full match	131.03395	24661081.8033	87877780.7806	123807305.37	89232320.4796	75604991.0488	119579001.083	89852542.8631	178497994.603	265759332.472	198821382.021	152995423.617	199214215.118	0.479903102934587	-1.05918495369	0.0221681051429067	0.944444444444444	1.56686423566697	down
Com_3513_pos	2-Amino-1,3,4-octadecanetriol	--	C18 H39 N O3	317.2925	13.073	--	--	--	--	--	--	--	--	--	--	Full match	Full match	No results	318.29971	2634649.8849	1671439.76847	6958986.44941	6376352.77856	4239319.19146	5569933.09232	2320544.1252	2374075.26544	1981717.62908	1770102.09767	1623777.17901	1795188.31399	2.3135056971494	1.21008065163	0.0224714007579027	0.861111111111111	2.2159737872589	up
Com_1181_pos	1-Methylhistidine	N(pi)-Methyl-L-histidine; N-pros-Methyl-L-histidine; 3-Methylhistidine; 1-Methylhistidine	C7 H11 N3 O2	169.08507	1.222	cpd:C01152	map00340  Histidine metabolism	HMDB0000001	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	Full match	Full match	Full match	170.09245	34162337.9962	16302100.8664	32519072.0411	26840199.1306	31155092.1013	31905447.2895	18816125.4282	13023214.4508	20940081.8578	29657237.27	14437336.5726	13763404.3884	1.56262032075425	0.643967280637	0.0228620101023374	0.888888888888889	1.62743786178505	up
Com_55_pos	Trehalose	alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose	C12 H22 O11	342.11575	1.394	cpd:C01083	map00500  Starch and sucrose metabolism;map01100  Metabolic pathways;map02010  ABC transporters	HMDB0000975	--	Organic oxygen compounds	Organooxygen compounds	Carbohydrates and carbohydrate conjugates	--	--	--	No results	No results	Full match	343.12335	592832777.063	207752621.462	479468273.464	359030663.731	142157964.919	508824609.648	882293612.254	994789683.789	858363602.617	671683980.39	325620881.343	971990912.347	0.486757102265337	-1.03872606545	0.0242849155467639	0.888888888888889	1.86691885823815	down
Com_194_pos	2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	--	C22 H30 O3	324.20607	14.94	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	325.21323	292247113.966	326453328.605	299935027.159	245192387.251	280797775.637	780569151.787	245186444.99	180654248.944	206961219.062	246660487.063	133173374.998	203655954.902	1.82949100910191	0.871442325676	0.0254831107211469	0.972222222222222	1.94014237183143	up
Com_2850_pos	Benzamidine Hydrochloride Hydrate	--	C7 H11 Cl N2 O	174.05567	9.866	--	--	--	--	--	--	--	--	--	--	No results	No results	Full match	175.06294	3721418.54833	1786558.598	3096619.73648	1947808.7336	6669980.95355	20247897.5262	778621.205705	1130414.26235	1288784.29289	1039905.68904	4613518.12838	608373.425662	3.96107834812009	1.9858932373	0.0264342992894828	0.888888888888889	1.68354343798175	up
Com_6505_pos	1-Methyladenosine	1-Methyladenosine	C11 H15 N5 O4	281.1122	5.858	cpd:C02494	--	HMDB0003331	--	"Nucleosides, nucleotides, and analogues"	Purine nucleosides	_	--	--	--	Full match	Full match	Full match	282.11948	439463.342021	229774.026221	637248.059893	517436.790299	240836.116592	592963.594641	1045289.59674	838944.800253	1360685.33809	642529.020168	465050.008716	579762.837054	0.538844478386313	-0.892059153332	0.0283620172954477	0.861111111111111	1.38456791215468	down
Com_678_pos	Spermine	Spermine; N,N'-Bis(3-aminopropyl)-1,4-butanediamine	C10 H26 N4	202.21574	0.92	cpd:C00750	map00330  Arginine and proline metabolism;map00410  beta-Alanine metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map04976  Bile secretion	HMDB0001256	--	Organic nitrogen compounds	Organonitrogen compounds	Amines	--	--	--	Full match	Full match	Full match	203.22296	6248935.63448	5546226.28954	44177820.1004	69062164.8516	26208979.968	9618071.59922	2954123.50577	5409815.64208	6024014.96577	4111158.23201	3525377.53783	8414637.98739	5.28471772009242	2.40182641301	0.0299644533233779	0.916666666666667	2.03214944511459	up
Com_4508_pos	3,14-dihydro-15-keto-tetranor Prostaglandin E2	--	C16 H26 O5	298.1784	14.717	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	299.18576	2567874.18291	3702810.18741	4574774.28619	2217801.52008	1924105.39235	4580865.16581	3583494.56334	1906236.92465	1908650.37894	1473360.4104	1242534.57823	1253505.67026	1.72137623941205	0.783562460196	0.03163942909011	0.916666666666667	1.9678963768374	up
Com_30_pos	Hypoxanthine	Hypoxanthine; Purine-6-ol	C5 H4 N4 O	136.03845	2.041	cpd:C00262	map00230  Purine metabolism;map01100  Metabolic pathways	HMDB0000157	--	Organoheterocyclic compounds	Imidazopyrimidines	Purines and purine derivatives	--	--	--	Full match	Full match	Full match	137.04568	1267193943.42	852501313.728	1117305115.63	855045891.071	900511750.489	1640946412.69	1817937067.69	1413664240.05	2585814459.93	1875573947.84	1343677583.48	1058475657.44	0.65709861223935	-0.605818199663	0.034706088063593	0.861111111111111	1.24272822493793	down
Com_2549_pos	N-Acetylmethionine	N-Acetylmethionine; N-Acetyl-L-methionine	C7 H13 N O3 S	191.06165	7.36	cpd:C02712	--	HMDB0011745	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	No results	Full match	Full match	192.06877	1478808.71982	4937668.83176	9887279.25853	7301666.38946	2336519.47529	4433834.59856	6517156.83869	11330823.4339	14487508.915	11364806.5047	7884316.27365	8098940.56336	0.508947205488612	-0.9744120856	0.0348437616251973	0.888888888888889	1.32838284896409	down
Com_4367_pos	Choline bitartrate	--	C9 H19 N O7	253.11725	1.83	--	--	HMDB0000097	--	Organic nitrogen compounds	Organonitrogen compounds	Quaternary ammonium salts	--	--	--	No results	No results	Full match	254.12453	308676.447346	386547.843953	399130.878968	436836.410126	183004.87107	899101.687345	567362.651438	1098776.33501	1959672.69268	894402.947155	631716.472167	417735.032089	0.469201937343971	-1.09171912459	0.0375246253111527	0.861111111111111	1.27818471024834	down
Com_2008_pos	Phenylacetylglycine	Phenylacetylglycine	C10 H11 N O3	193.07366	9.351	cpd:C05598	map00360  Phenylalanine metabolism	HMDB0000821	--	Organic acids and derivatives	Carboxylic acids and derivatives	"Amino acids, peptides, and analogues"	--	--	--	Full match	No results	Full match	194.08081	2540879.4559	2906243.45111	3015802.29116	4636077.87572	3343254.85243	3642427.16343	3730653.54907	8975382.8314	18481811.4645	17324154.6887	3617411.17471	4991569.2496	0.351616587279755	-1.50792496462	0.0379254129425545	0.916666666666667	1.82485408331203	down
Com_1192_pos	SM (d29:3/16:2)	--	C50 H93 N2 O6 P	848.68684	15.094	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	849.6933	47490033.7062	44410844.3487	6926738.63493	3791114.24051	15320300.9116	9927929.91369	4632795.12024	4919169.0652	3601340.17647	4212950.91086	4230213.8938	6110972.2073	4.61489605013537	2.20629815174	0.03958695439733	0.861111111111111	1.88884268431419	up
Com_3833_pos	SM (d30:1/13:1)	--	C48 H95 N2 O6 P	826.70165	15.103	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	827.70886	1589196.21981	1569370.16541	6038030.3944	3398852.8512	6150709.54766	7186073.09655	1242818.71267	1662323.39115	1352475.7727	2062212.01076	1702570.12588	2203995.88179	2.53581345191573	1.34244861697	0.0398583090002245	0.777777777777778	1.57152575678701	up
Com_2993_pos	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol	--	C14 H20 O6	284.12542	12.271	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	285.13284	11483172.6769	11302231.6005	8913844.18604	8689187.83846	9650525.81314	15056035.7731	12661811.9624	4691984.37019	7457086.63551	7983613.82955	6422512.16593	6533280.36533	1.42283248571733	0.508765819102	0.0407708209717944	0.861111111111111	1.82639721283952	up
Com_1029_pos	16(R)-HETE	16(R)-HETE; (5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoic acid; (5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyicosa-5,8,11,14-tetraenoic acid	C20 H32 O3	342.21751	14.044	cpd:C14778	map00590  Arachidonic acid metabolism	HMDB0004680	--	Lipids and lipid-like molecules	Fatty Acyls	Eicosanoids	--	--	--	Invalid mass	No results	No results	343.22504	9346009.66503	16139679.0103	39403690.5616	9704898.51629	6145437.20791	21818605.5103	12225867.3925	6102582.55374	7907760.56567	5220877.81056	5110431.80114	5592746.84235	2.4325823305207	1.28248863371	0.0438531494102565	0.888888888888889	2.08144799474581	up
Com_286_pos	Cuminaldehyde	4-Isopropylbenzaldehyde; p-Cumic aldehyde; Cuminaldehyde	C10 H12 O	148.08863	12.865	cpd:C06577	--	HMDB0002214	--	Lipids and lipid-like molecules	Prenol lipids	Monoterpenoids	--	--	--	Full match	No results	No results	149.09595	233914423.231	283998064.02	206629664.814	186045058.726	235890325.837	337662124.645	241685531.792	123381952.608	179541161.253	217119105.741	185105527.102	151170877.438	1.35167034956306	0.434743344638	0.0443829658003645	0.833333333333333	1.65379410578476	up
Com_756_pos	Quinoline	Quinoline; Benzo[b]pyridine	C9 H7 N	129.05786	9.865	cpd:C06413	--	HMDB0033731	--	Organoheterocyclic compounds	Quinolines and derivatives	_	--	--	--	Full match	No results	No results	130.0652	29713677.6888	13237155.654	26280416.0579	16940106.1717	43340576.1944	136924441.178	8496135.44209	11324015.3314	13161723.6633	8780141.32366	39732769.4279	5866596.71189	3.04981866299974	1.60872346505	0.0446484395803066	0.888888888888889	1.54836800638621	up
Com_8180_pos	ACar 21:2	--	C28 H52 N O4	465.38131	13.807	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	466.38898	108327.123995	259795.628382	579786.766056	594595.712564	145400.559371	165249.876577	381996.924359	703370.492229	594752.759442	301245.786602	1556403.45996	567119.789771	0.451450836081937	-1.14735921106	0.0450288071957036	0.833333333333333	1.66408254838399	down
Com_4451_pos	TAG (16:0-18:1-22:6)	--	C59 H100 O6	921.76866	16.521	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No results	922.77594	102848.33324	213677.299758	176623.708958	596803.700577	706118.893056	3560591.52514	176180.079513	103103.804507	95212.9725506	105412.761101	91374.3721193	92451.0922581	8.0704841518887	3.01265522401	0.045818187785595	0.916666666666667	1.48551593996919	up
Com_9056_pos	ACar 19:4	--	C26 H44 N O4	433.31849	12.997	--	--	--	--	--	--	--	--	--	--	No results	Invalid mass	No match	434.32584	172957.537816	166735.654434	275392.02075	199086.676768	198965.167122	183451.401155	306763.257806	428966.463019	425200.455903	153164.069805	1190709.5408	397073.057205	0.412349841895343	-1.27805924048	0.0464468617676896	0.833333333333333	1.9737377718105	down
Com_2288_pos	Monolaurin	--	C15 H30 O4	296.19842	13.953	--	--	--	--	--	--	--	--	--	--	Invalid mass	No results	No results	297.20572	5787762.54245	5029663.0646	13050523.1374	4036233.09237	6694144.40347	8602726.19088	9440011.08507	10589446.5207	12852190.1677	7967004.32342	12735390.4078	9962897.00961	0.679829001386423	-0.556756186577	0.047327967974666	0.805555555555556	1.44319024389107	down
Com_2760_pos	LSD-d3	--	C20 H22 [2]H3 N3 O	326.21937	15.665	--	--	--	--	--	--	--	--	--	--	Full match	No results	No results	327.22678	3144240.89888	2666648.31287	2286817.52339	3371699.90495	6470130.57915	17070463.5621	1438633.86208	1398713.53465	1890998.46793	3208306.0182	2869724.90174	1621184.38544	2.81712560512203	1.49422388954	0.0494371662735134	0.861111111111111	1.72498962538486	up