metabolite_name	CP_RBC37_13C_0_1	CP_RBC37_13C_0_2	CP_RBC37_13C_0_3	CP_RBC37_13C_19_1	CP_RBC37_13C_19_2	CP_RBC37_13C_19_3	CP_RBC37_G_0_1	CP_RBC37_G_0_2	CP_RBC37_G_0_3	CP_Retics37_13C_0_1	CP_Retics37_13C_0_2	CP_Retics37_13C_0_3	CP_Retics37_13C_19_1	CP_Retics37_13C_19_2	CP_Retics37_13C_19_3	CP_Retics37_G_0_1	CP_Retics37_G_0_2	CP_Retics37_G_0_3
2,3-Bisphospho-D-glycerate	168891	121063	186547	1239528	1031648	1224240	919900	1082854	1610964	2299211	3455958	3495558	2520331	4045943	3917706	6755691	7221750	5869688
Sucrose	105348	57913	44341	84290	78013	75482	583292	424103	431993	116042	127560	121728	75682	91054	69416	289066	268960	288508
D-Fructose 1,6-bisphosphate	300158	267469	300789	792644	717979	681819	877068	1112607	1209409	977149	1164905	1214591	1062099	1384256	1354258	4059846	4121070	3409735
3-Phospho-D-glycerate	1427509	1194293	1185471	2912536	2742687	2827485	3925332	3802089	3804206	2270210	1870199	2515983	2976582	2596493	3182118	4246812	4144949	4624864
Phosphoenolpyruvate	681337	492198	239721	1428730	1505820	602224	2094079	2188410	883990	1122289	975687	488957	1430406	1345419	787872	2051167	1903138	1082931
UDP-glucose	284427	250182	237969	400902	287630	326315	1369584	1254888	1166485	2788793	2352391	2263301	4025468	3375578	3524419	12136044	10660365	10663287
Benzoate	953264	1428860	2131724	1715597	1818490	3135127	1351049	1900463	2211211	1583828	1581696	2194275	1667003	1880918	2402481	1497149	1370399	1725384
Citrate	19420468	17940316	17708700	38719276	36695476	31958448	44339096	44725832	42586388	57049356	54874152	51994596	68272864	62374456	60327784	70370080	64185900	61951620
Pyruvate	1862554	1725706	1989092	3122381	3050581	3289262	3503924	3191280	3407151	1304316	1277516	1336994	1561290	1488182	1597579	1889817	1809213	1863732
6-Phospho-D-gluconate	395476	357572	326656	523270	465815	430161	541015	503626	487912	1696216	1638040	1495472	1879618	1770540	1606819	2661314	2593879	2468938
D-Ribose 5-phosphate	158167	156451	145048	172684	157380	243797	229953	227394	310381	192098	187269	167965	185262	193364	154796	436259	409369	361185
GDP-mannose	423842	360233	358999	467614	490740	471512	530957	527588	440782	422545	421254	400620	1444246	1290406	1229659	1762087	1517915	1617431
myo-Inositol	726586	743344	746809	920585	931630	965101	1044565	1054124	1134125	5590075	4748071	5082433	5501841	4798775	5347712	5858274	5298705	6371929
Glutathione	92968624	82214560	76319744	116824800	87367760	78235728	33174090	26086402	20678996	65134140	47221212	39073832	50336312	42119600	31601814	59280200	50385552	38578976
D-Glucose	21365844	18312316	17039590	30364936	30176828	29387456	71597824	63130700	68259408	24377566	21651096	22165130	29155800	28476696	25273388	58857708	50136868	53184944
D-Fructose	41760060	39437784	31165726	47381644	45928408	42192096	53677744	47906056	37825532	7779423	6374378.5	6163107	5792842.5	6097544.5	5206554	5796727.5	5137400.5	4907860
Phenylpyruvate	94222.78906	91320.3125	121938.1406	78402.85156	72229.03125	113400.0938	125196.9453	134385.5313	135098.4844	95997.10938	39002.75	100589.3438	83581.03906	80576.92969	96634.15625	85713.39063	82095.59375	102873.4141
L-Aspartate	113814896	107861328	88059816	140107344	131824184	113795360	136124896	133033368	113124072	191571696	183721760	187710240	220124880	209542032	204801616	232738208	204148784	193852256
Decanoic acid	1345322.625	1328840.5	1358095.5	1725566.375	1757009.625	1752560.875	1536459.75	1536910.125	1590199.125	1727030.25	1618872.125	1607025	1887818	1631275.5	1699099.25	1506646.5	1561437.125	1425062.5
Oxalate	278327.5625	210074.0781	187397.1094	280339.75	297489.75	261478.875	339965.3438	346330.4063	290916.2813	233748.125	187136.4531	190457.6094	245462	203230.6563	227505.4688	274035.1563	273328.5625	264635.3125
(R,R)-Tartaric acid	179211.8125	132166.3125	98999.46875	263576.7188	235931.25	170847.4688	287443.1875	242414.4688	183825.6719	114027.7969	84068.95313	66855.75	148013.875	98134.80469	91307.50781	138479.0313	134869.0938	88642.08594
Taurine	6529101	5277791.5	4826353.5	4942844	4925716.5	4293456.5	5465741.5	4520122.5	4629218.5	564577.9375	699509	661435.4375	756375.75	728666.0625	685839.0625	682540.6875	724197.4375	657020.0625
Fumarate	1547773.75	1456394.25	1220094	1784513.5	1762532.375	1464281.75	1802063.125	1834929.75	1523191.375	2403926.5	2367897.5	2867616.75	2757745.5	2836207	2476153.5	2931270	2927923.5	2570368.5
Phenylacetylglycine	4400031	3415276	3119281.75	2869817	1994456.5	2129843.5	3591518	2533618	2910886.25	3063800.5	2433897	2363992	2781398.75	2267536.75	2193892.25	2837127.75	2731994.25	2677121.25
D-Sorbitol	43855496	39220876	39331516	39864260	36350796	34462140	40945796	39576588	35167112	3264249	3112022	3015825.75	3765346.25	3756547	3374703.25	5405598.5	5114141.5	5036731.5
2-Oxoglutarate	4322972.5	3885231.25	4915909.5	3971118	4308029	4441597.5	3872171.25	3743771	4413898.5	2281297.25	2131881.75	3283083.5	1672783	1648375.375	2778979.75	2167058	1977459.625	3081375
Hexadecanoic acid	87398024	86098600	86361920	110722624	116367048	116230120	111243080	110637640	100163984	77792440	69964816	74937776	112839360	115075280	113510648	101918392	100169808	98261456
sn-Glycerol 3-phosphate	654167.625	417860.375	443623.9063	628215.8125	544857.75	483975.7188	710676	713459.875	550912.4375	8532938	6153683	5229735	8379824.5	6944983.5	6388447	11750278	9559818	8391860
UDP-N-acetyl-D-glucosamine	5833545	3940785.25	3685035.25	5453114.5	3888870	3434425	5658504	4181876.75	3650549.25	16819234	13879450	13184853	20155850	15479078	14851218	21829694	16982826	15608551
Tetradecanoic acid	4775663	4498985.5	4474125.5	7445270	7389996.5	6775219	5644829.5	5774888	4410331	7013116.5	6595667	5803573	6450084	5958440.5	5540533	7096484.5	6269395	5769967
D-Gluconic acid	72255304	58176952	58159076	63730552	60145276	49349772	60372324	53754224	46742236	3350640.75	2353723.75	2352109.5	2997031.5	2160610.25	2074510.375	2950377.25	2638070	2530393
(S)-Malate	3890811.75	3566310.75	4060517.25	3884378.5	3509269.5	3666654.75	4197031.5	3817716.5	3668555	45130652	38434620	35084224	48310216	37550024	35813800	44545688	37368076	41310640
[FA (8:0)] octanoic acid	2711912.25	2834025.25	2979319	1644125	1692731.125	1675927.375	3491980.75	3549609.25	3444603.75	2676931	2460748.5	2876364.5	2398374	2344169.5	2456005.25	2123268.75	2225483.5	2435120.5
FAD	65209.37109	67862.16406	60277.54688	67256.41406	55634.54297	45406.41016	48357.39063	65248.17578	57932.12109	164571.7969	182463.7969	146711.4375	167912.5938	145798.75	155201.8594	168265.125	152214.0313	178605.3125
Phthalate	891822.75	831405.25	817489.6875	530594.375	473626.7813	437923.5	788840.6875	784364.6875	778090.3125	973661.875	842014.8125	825871.875	1032436.188	833597.5625	878265.75	1228900.875	1116606.125	1117731.625
Orotidine	953466.5	1422217.125	1005182.438	1086193.875	1125947.5	883890.3125	869259.875	1076440.375	820104.5625	2782231.25	2634201.5	2353021.75	2153234.75	2684896	2399276.25	3001796.25	2766425.5	2863178
Hexanoic acid	3634168.5	3314818.25	4239490.5	1799443.25	1887588.25	2362911	8830193	8580296	9931246	8314174	8440092	9594147	6640860	6216734	7125736	8921196	8434112	9126157
5beta-Cyprinolsulfate	258756	209037	183108	0	0	88977	235488	250008	138007	166572	151283	122848	333991	306215	397049	546319	306046	433369
Urate	552068	843059	626071	1651966	1883013	1450510	0	0	106907	43045	38792	104479	72181	47889	103542	75578	59548	91644
3-Phospho-D-glyceroyl phosphate	205986	75065	98966	193695	109682	77871	171266	100628	268373	68173	149855	143277	171443	101135	75030	86624	195050	74036
Glycerol	190976	152567	154483	238068	278057	344848	221093	167867	195081	79054	110737	101490	98582	120737	223819	86782	67177	129575
[PR] Tretinoin/All-Trans Retinoic Acid	947256	741067	842096	1325539	1249892	1161899	849345	748085	818702	734722	808083	828678	1453607	1350494	1319819	780775	756889	750779
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	2520713	2674483	2097709	1499116	1290324	1223192	1616890	1492402	1314636	2194169	2017275	1584949	3895102	3724508	3465739	4748006	4124962	3886659
4-(2-Aminophenyl)-2,4-dioxobutanoate	223273	248912	241845	733816	728165	844660	1242953	1254149	1385241	561410	714882	552437	249864	0	263795	473207	563555	482569
4-Methylpentanal	900287	954007	1105723	831903	887280	899734	697261	634008	701233	435846	379111	408156	493614	516158	524948	786209	673931	681834
3-Sulfino-L-alanine	102287	97710	75639	188999	145126	154924	192734	152192	154895	557099	411866	434092	720020	555331	589339	642451	620457	658915
3,6,8-Trimethylallantoin	40632	49705	32917	98604	111570	99614	233202	215072	181655	61932	81446	51371	24357	17628	19622	54338	24675	34242
dATP	40442	41312	33747	85532	68730	55401	100637	67742	68647	84861	100644	80382	140587	81979	86248	135450	137182	88068
(S)-1-Pyrroline-5-carboxylate	2342200	2900816	2889016	4232273	5781456	5418488	4616502	6908220	7723115	689803	1164291	1228322	1544898	2287933	2459458	1592903	2775384	2713978
Pseudouridine	0	0	42112	0	0	40429	0	0	40225	204516	371025	191448	367205	254262	214098	258352	263551	190553
4-Hydroxyphenylacetylglycine	375820	319327	334491	226833	231461	279241	486917	473714	404620	429985	348759	332617	518024	640765	520958	539566	355136	453314
Gentisate aldehyde	45038	53921	69908	83590	84305	100771	85650	105025	97275	86837	61475	102504	85135	73857	89662	74927	43351	89210
2-Formaminobenzoylacetate	57088	53084	41340	113989	107373	115701	219476	177507	176123	115798	97171	115884	59391	50296	53891	69696	76729	69233
D-Sedoheptulose 7-phosphate	506674	474860	442742	540493	557651	469526	2593302	2542214	2305311	846980	787662	731783	1536371	1513737	1378541	4545448	4252892	4150967
N-Acetylneuraminate	294385	228993	220638	378818	323012	285516	375648	297234	274520	5291972	4365641	3538499	7232185	5800786	5310278	6524441	6242843	5652413
D-Glycerate	147575	131117	161123	148306	152437	225846	188598	200203	361729	197112	169724	215749	213373	175975	262904	249702	233562	306325
D-Proline	320705	425675	259765	510720	430514	361918	463774	657715	482107	511082	679343	573611	486227	478823	559341	738675	692760	691105
2-Oxoglutaramate	81733	93363	108241	345340	278473	261076	572279	592248	401246	604993	568487	497614	329527	199142	166510	410261	357777	307050
5-Acetamidopentanoate	1543974	1325061	1834129	837416	953887	965428	2518447	2722053	2559494	1719232	1947589	1880367	1942742	2298973	1905829	2785320	2557848	2500493
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine	1462264	1274245	1080278	1622023	1480366	1201701	1136361	976744	844705	2708155	2278142	2039210	3276400	2582429	2283917	2461983	2210082	2009024
Acetyl-CoA	57649	76500	50121	95503	88211	90616	119132	100060	81798	62594	56929	54859	58331	58148	69565	53886	54633	51323
L-Histidinol phosphate	1295768	1157346	983544	2187408	1619440	1553619	258866	203016	204486	1769165	1256059	1280032	2285367	1579161	1447863	15579	16691	21672
(S)-2-Aceto-2-hydroxybutanoate	213817	237549	205623	230310	289687	249088	269056	295034	280963	231928	245545	216340	300603	260659	290388	257410	272130	298980
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine	9250841	8395338	6875360	12194234	9838595	8834490	6528962	5583763	4675116	3060803	2496359	1915635	3265589	2709876	2598401	2773056	2669978	2403306
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc acid	105340	100790	75167	99970	121907	93168	60548	125144	0	0	0	0	0	0	0	0	0	26349
Sulfoacetaldehyde	82100	74076	62941	94807	72922	73136	189516	157114	189203	426248	396718	361564	413920	334457	334103	388623	384054	389209
(R)-2,3-Dihydroxy-3-methylbutanoate	322829	337645	327255	368838	340747	401980	362612	358491	378319	230740	227300	226004	237289	206451	246937	286785	234392	236161
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	149241	160171	141756	198428	199847	204694	178814	211197	244257	174110	173362	152592	204585	192717	230832	220527	186372	191114
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic acid	86766	88824	92355	88055	91421	90972	100378	109780	119999	89539	94470	91269	114731	94063	82956	116198	104340	100357
L-Aspartate 4-semialdehyde	72528	96696	93649	75696	67557	79744	80043	80409	100313	62143	92027	81978	67807	74703	97728	73755	84877	97249
Butanoic acid	94958	199034	271594	115003	180253	310320	181789	189118	171258	285242	266323	352741	308058	277282	359452	214372	236655	352922
(3R)-beta-Leucine	2550237	2240291	2238628	3479461	2852170	2733781	3829687	3897264	3298653	2947167	2551351	3007701	3455192	2983538	3338086	3156909	3148459	3293090
UMP	195685	125473	198759	196701	167312	292797	67420	84853	159748	743572	630322	769521	1244568	905965	982253	1447708	1029286	994780
2-Hydroxybutane-1,2,4-tricarboxylate	98435	101510	96748	58210	53898	45959	84954	69432	76253	309889	286860	298740	319163	301478	274955	346719	315060	295342
ADP	32350904	24506236	23623518	43922888	27996252	28574994	43511700	33851580	34872516	15124170	14781302	15933406	23699062	19296194	20261914	23626956	19366704	20176110
[FA (18:1)] 9Z-octadecenoic acid	7386018	6924044	6735148	12442708	12574057	13069208	12256465	12635590	11922609	11329224	10672609	10596210	12278798	10975429	10809501	12707592	11952254	11459854
(R)-3-Hydroxybutanoate	70872	60141	55290	92164	83346	111225	111023	124560	123840	69969	82812	80771	84289	98750	87662	102840	63964	108453
N-Acetyl-D-glucosamine	48792	37648	49141	49304	43128	45779	38738	38627	34659	124945	118268	108272	131957	109096	106840	125263	111555	104681
Indole-3-acetaldehyde	364661	429087	336003	728561	578611	665437	620116	602998	571202	299049	317879	298659	359697	448286	455435	431826	355022	297456
UDP-glucuronate	120046	102225	104423	171382	136608	134303	159483	137616	139784	1297567	1056176	991580	1537825	1214500	1173603	1557975	1354244	1263963
2-Hydroxyethanesulfonate	242835.8281	316850.4063	219045.8906	405869.7813	430685.9688	307682.0313	491573.4688	448799.75	453638.7188	277728.25	300753.5938	344359.3125	382360.7813	322501.375	348064.875	373536.2813	401198.625	387087.875
alpha-D-Glucosamine 1-phosphate	120701.6016	113959.2813	112556.2891	129326.3516	122191.5391	104024.2734	98076.25	109356.125	111182.9922	75182.55469	69891.53125	65315.85938	69335.9375	56373.72656	58174.04688	75525.92188	78567.71094	50968.53906
Indole-5,6-quinone	32613.91992	29079.05469	28153.22852	43674.27734	31724.125	30289.1582	59396.39453	48039.20703	51580.57813	55059.23828	49036.29688	55545.27344	64264.875	59979.56641	50370.63672	60284.50391	48284.64453	52722.4375
XTP	345227.4063	271307.2813	248659.6719	350710.5625	241897.5625	315598.1563	583478.25	573632.875	467283.5625	340670.9688	288816.75	204787.0469	323819.1875	333210.5313	241482.7344	582336.8125	511167.3125	460818.625
GMP	100141.4609	76812.38281	109860.3828	96077.28906	70558.53125	120601.8516	97389.92969	88829.32031	102489.7813	113816.4141	94228.32031	140660.8594	129948.3984	137146.1719	162982.3438	163829.9844	150012.9531	164767.3125
L-Rhamnose	455417.9688	497751.4063	415276.5	710454.25	683435.625	581125.375	774711.1875	818771.375	724780.8125	685418.5	657707.875	611940.1875	748122.375	691127	723495.125	825891.0625	659563.5	765371.0625
GDP-L-fucose	265629.5625	248025.8438	243500.9844	298342.75	272857.9063	269927.5	295714.125	287550.8125	271151.75	170199.7188	154904.1563	155134.3438	185683.625	177799.5938	182659.4531	197444.4688	191231.375	207100.2344
(S)-3-Methyl-2-oxopentanoic acid	925797.1875	759043.4375	1140606.75	1359174.25	1185469.25	1736027.5	1326356.875	1352348.25	1643559	5170587.5	5101451.5	5662745	6757443.5	5835336.5	6913496.5	5129442	5107496.5	5905373.5
S-Sulfo-L-cysteine	39578.45313	34246.80859	28831.89453	24264.49805	21450.83789	22727.30078	53510.17188	61939.20313	71333.64844	20701.35547	25286.39844	25265.94922	73813.98438	62723.33594	46724.89844	64063.44531	54925.00391	50327.83984
alpha-D-Glucose	201260.6563	562812.8125	218124	253908.8438	379354.0938	325047.0625	562077.4375	612161.75	604745.875	405643.7813	399278.4063	369389.7188	204463.6563	341412.375	495620.4688	524802.4375	371900.1875	717969.375
5-Dehydro-4-deoxy-D-glucarate	515520.75	552228.5625	414890.2813	420302.625	344009.5	244378.5	546687.1875	650538.4375	641118.875	442503.8438	464788.25	565202.25	320474.7813	336165.6875	429126.1875	277030.8438	359186.9688	728432.5625
O-Acetyl-L-homoserine	255961.4219	583342.4375	379763.0938	344988.1875	430782.5313	307321.4375	557267.125	806344	598243.875	1106135.875	1180527.125	1283216.125	860904.5	1057986	1140639.875	1101329.5	1085885.5	1145266.75
L-Dehydroascorbate	595274.25	805607.375	3453772.5	580087.875	631568.0625	2983128.5	553431.5625	506845.0625	3019787.25	4815446.5	4320832	5972035	5719363.5	4293425.5	5888855	5330621	5342246	7060319.5
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-octadecenoic acid	273549.9063	255368.2969	208874.875	303575.7813	276367.8125	271831.6875	311100.9375	219075.9063	245849.6563	326573.125	282959.9063	247535.0938	245252.2969	216433.4531	249961.5313	296132.6563	267731.125	213703
D-Mannose 6-phosphate	25647960	18733846	14943173	23831224	17148588	14303745	24900852	17550462	17496796	1561405.875	1433893.25	1315362.125	2029510.25	1685997.625	1691447.875	2722842.75	2555057.5	2084763.25
D-Glucarate	413978.9375	336066.6875	257460.8125	408270.9063	397646.9688	340502.1875	387984.8125	432988.4375	326188.5	44945.83203	31048.35938	33019.85547	40537.31641	37493.32031	40375.11719	42846.14063	43075.22266	33905.12891
Progesterone	130624.6484	129409.9453	109978.0469	230742.9844	211388.6094	274168.9063	126525.5625	97731.78906	122005.7578	196289.6406	147467.9531	168024.75	118442.0469	113098.6641	118065.2578	154837.4531	126270.9688	104552.5391
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic acid	170607.125	148149.2656	158411.4844	239709.9531	250027.3125	201715.5625	534181.8125	514159.3125	463858.0313	638884.3125	572654.25	607739.8125	431121.9063	415647.375	445144.2813	759712.8125	669412.1875	680652.625
(R)-S-Lactoylglutathione	77727.10156	92939.71875	81093.4375	69956.21094	76023.09375	80228.33594	77395.90625	62946.89063	83043.67969	103671.1953	112366.3672	97475.03906	133289.8281	134985.4688	150067.9375	176774.8594	172842.2344	211699.7969
D-Xylonolactone	14728426	12343867	11337909	12156678	10290027	9442993	11352286	9959805	9203668	23475976	23547568	20715932	24501416	23630152	21043576	24808442	21017510	19902780
(S)-Lactate	3249094.5	3425103.5	3342299.5	4281491.5	4203894.5	4212462	4559280	4023826	4387616.5	7205970.5	7145712	6981229	7388630.5	7926916.5	7698662.5	7989740.5	7902413	8335361.5
[FA (18:2)] 9Z,11E-octadecadienoic acid	125961.875	147323.9844	117843.5781	95818.61719	138546.5313	88838.8125	100646.25	76478.47656	125298.4766	74436.78906	69019.15625	42798.17578	75255.36719	62835.77734	68339.21094	75884.55469	64905.86719	54264.68359
Quinate	1983698.875	1846609.25	1739024.5	1447100.375	1062345.125	1147938.75	1224917.625	1027264.438	866452.9375	51382.51953	59237.58984	88726.5625	29973.48047	44018.88672	87028.32813	74151.55469	72986.34375	85023.89844
3-(4-Hydroxyphenyl)pyruvate	104649.1719	77220.28906	76637.74219	128964.9219	112186.3516	117887.5625	103848.1563	84580.30469	131766.4063	67678.29688	78607.95313	76973.22656	65143.69141	60272.11719	81276.39844	75491.28125	87058.40625	108379.1484
alpha-D-Glucosamine 1-phosphate_2	3559010.25	3354915.5	3010429.75	3646251.75	3135650	2708860.25	3493602.75	3054903.5	2445765	12163139	9882109	8792416	10602508	9206767	7512974.5	11632658	10628712	8196981
beta-D-Glucose	398428.9688	471033.4375	153005.0781	447223.0625	655452	398078.9688	854803.4375	1005907.75	625022.25	449431.1875	402416.7188	451818.4063	502483.0938	438977.1875	555760.375	474730.25	828678.75	1225788.375
Ascorbate	4058889.75	3106051.25	2861667.5	15447330	13827684	14545693	19843222	17357806	15659116	5142899.5	3842936.25	3931351.5	8056373	7095696.5	5901047	13373519	10395564	9881298
D-Mannose	382413.4688	627216.25	283115.4688	512642.625	655452	409527.8438	996284.1875	1191837.75	892870.0625	0	380791.4688	393425.0938	512685.875	518862.3125	756737.5	0	832638.0625	1225788.375
Homogentisate	103521.4922	98088.85156	90952.07031	106405.4766	89501.03125	90762.39063	91209.33594	61414.69922	96744.70313	65686.57031	67535.30469	30397.06641	56115.875	103340.9141	84074.25781	51343.54688	69761.33594	27487.52734
D-Galacturonate	3816930.75	3313788.5	3247240.25	4160558.5	3164055	2557842.75	3709625.75	3210614.75	3179755	647264.5	445546.5938	450481.0625	509592.5938	414310.5	442468.4063	730109.4375	577408.6875	654485
Hydantoin-5-propionate	103572	119298.2891	102609.8594	94311.5625	84444.92188	80817.08594	89436.05469	106887.9219	88149.19531	1473064.625	1412453.625	1373134.75	1409786.25	1386359.25	1167412.125	1428375.5	1364871	1383773.25
5-Acetamidopentanoate_2	18558668	16963330	14245356	16125751	14493161	13584157	15508807	14900917	11810985	277392.1875	283342.5625	268138.75	243477.1719	239281.2031	230919.0781	334809.7813	388023.8438	325216
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid_2	12895765	11461143	10888888	9936943	9814741	8402578	9580202	8092405	7899315	1159877.125	1120891	1110701.125	1147634	842756.5	1004204.313	1110620.625	927282.125	1206226
2(alpha-D-Mannosyl)-D-glycerate	2021457.625	1585428.125	1523003	2090891.625	1492489.25	1360408.875	2843211.25	2677130	2265701.25	4087356.75	2974377	2616324.75	3909690.5	2849310	2917245.25	6646530.5	5864744.5	5628448
3-Phosphonopyruvate	212255.0469	253698.7188	254617.9531	232231.0469	217879.8438	204806.0938	226054.9375	180167.4063	237485.3281	766735.1875	700248.375	844761.5625	906098	881868.25	843654.75	1018967.563	991304	981984.25
Phenol	80123.86719	85284.03125	83320.35938	85099.17969	71058.63281	75219.32813	93620.60156	87180.91406	79295.89063	66994.03906	61315.52344	62656.07813	91770.05469	90461.5	84793.29688	72076.76563	71191.23438	62218.85156
Tetracosanoic acid	172850.375	171991.6719	141349.5	0	0	0	129792.5625	134577.5469	116449.5469	369369.6563	310778.625	315742.875	392606.9688	358992.9688	368797.9688	370858.5625	354868.8125	268012.0625
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	80955.25781	52660.34766	75536.75781	0	0	0	0	74393.51563	79532.14844	108547.6719	124606.9844	172012.375	193615.6406	150259.5156	178369.2344	204664	189139.25	149648.3281
[FA (20:0)] eicosanoic acid	704203.5	547041.5625	573630.6875	767302.1875	751397.4375	859273.5625	467168.7188	517746.5	495232.5938	511698.9688	426386.2188	451119.875	837900.875	620082.3125	697423.5625	633976.625	590194.0625	538099.1875
3-Sulfolactate	122776.5703	94894.41406	53181.33594	130610.0781	126949.2031	68491.29688	92711.29688	81201.5625	56979.14063	230864.2813	193142.5625	164710.375	260648.0156	203333.7344	200594.4844	232707.3438	207719.2656	175000.9063
Abscisic acid glucose ester	186011.8438	135270.0469	142771.1563	112256.1563	101039.9063	139191	221820.3125	234376.2344	176004.8438	243277.6719	276875	328472.6875	186393.9063	194147.7656	155638.5313	297053.25	333192.75	281332.375
homovanillate	97917.72656	118004.2422	87935.80469	107369.8438	99690.21875	95762.3125	124390.3047	87861.60938	91423.21875	102591.8594	67323.89844	80433.03906	112863.6094	94064.99219	80306.26563	87523.02344	93005.17969	89041.64063
Succinate	397139.2813	384021.0313	466223.9688	334835.625	327812.0313	436150.9375	509054.4375	474818.0313	573869.4375	1899791.875	1944470.875	1797159.125	2039992.25	2085044.25	2013128.75	2200081	2079154	2136053.25
N2-Acetyl-L-aminoadipate	2986111.25	4112468.75	2928958.5	3260112.75	3360571.75	2660112	2926518.25	3100457.5	2334170.5	11068669	9383455	8156211.5	8930690	8529887	7721080.5	11204077	9816738	9826669
Mesaconate	140260.3281	118561.7188	120540.3672	134955.8594	121182.9844	118984.5234	156600.5938	125038.8516	142170.125	147644.1094	117965.3203	124226.1406	118924.7891	105029.375	99387.04688	115468.9844	122514.5156	141728.1563
D-Galactose	418673.0313	626079.375	326711.4688	405010.75	581907.5625	419131.4688	859712.0625	980425.6875	970653.5625	0	458499.375	463654.6563	512685.875	521437.6563	745145.5625	0	886826.375	1333181.625
3-Dehydroquinate	57910.08203	40493.11719	57447.63672	76600.65625	46315.29688	54843.07031	67030.95313	51240.73047	66364.92969	54913.09766	60361.82031	67672.65625	96807.1875	81985.63281	102835.4219	66744.33594	118806.2734	103545.625
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	386002.375	288284.375	285006.0938	335278.9688	365090.875	235296	297109.5313	328625.3438	262206.5	289043.75	237096.8125	228709.0938	332536.9063	224402.8906	217130.5469	375966.7813	219935.9688	256868.2813
L-Noradrenaline	61099.16016	60348.92188	78904.02344	71096.28125	63089.92188	60081.59375	75206.99219	93033.47656	55829.12891	52814.02734	50010.0625	54218.94531	51406.03125	54820.42969	51399.68359	76091.20313	54044.69531	55668.94141
D-Alanyl-D-alanine	0	21041.66406	16872.49805	41824.20313	38444.28516	39534.21875	40378.08594	54714.37891	48280.27344	12959.16309	26492.79492	29742.98438	24155.51367	34131.50781	34874.74609	34646.8125	17883.94922	29504.24805
2-Dehydro-3-deoxy-D-gluconate	2318949.5	3536355.5	2209832.75	2149429.5	2231084	1716992.875	1984193.375	2275385.5	1987072.875	430864.9375	375798.8438	342885.9063	321764.6875	365834.4063	314219.625	431258.1875	361976.0313	425716.0313
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	497599.6875	486649.4688	491299.3125	90724.30469	102182.5078	109732.4297	477399.5	509397.2813	475708.1563	406199.1563	419779.6875	448206.375	240378.1406	230670.4844	213376.5156	669115.6875	657260.375	552676.1875
N-Acetylmuramate	0	28009.44336	23735.00977	13187.0166	24083.06836	24832.44727	49933.4375	46590.69141	40184.55078	30383.11133	12700.93945	28621.38281	12315.18555	11697.1416	12253.11621	45279.66016	39427.05078	46504.81641
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid	335653.3438	258166.4219	259106.7031	108130.1641	108592.2891	88530.92969	541549.25	407479.0938	475510.6563	759074	767213.6875	754686.875	572846.9375	488982.3125	592517	812223.8125	873711.5	795740.25
L-Cysteate	180349.8594	179522.8125	152511.9219	96169.98438	86693.40625	83064.10156	239380.4219	268398.1563	224900.6563	938222.5625	901052.375	742749.0625	788722.3125	849192.9375	724013.9375	1041015.125	997603.875	943010.1875
Hydroxypyruvate	588993.25	432320.3125	542131.9375	188611.2969	171329.9219	252117.3125	803107.1875	563455.875	647728	899018	893647.4375	806324.25	703462.75	629590	787583.3125	815948.6875	787534.3125	1044526.875
2-Oxosuccinamate	0	24896.48047	0	34239.33984	50827.39063	54847.04297	95185.25	91211.07813	81863.30469	100920.4922	99406.875	98820.61719	49364.1875	29373.41992	25529.70508	60216.05078	56304.57422	66644.63281
LysoPC(20:3(5Z,8Z,11Z))	78261.30469	97506.39063	46865.97266	0	0	0	243312.9063	281057.2813	276644.9063	0	0	0	0	0	45579.22656	0	0	49589.50781
[FA (22:0)] 13Z-docosenoic acid	102348.4297	53851.90625	53027.33594	0	0	0	126073.0234	129538.8906	109399.8672	178775.8281	151526.6563	150135.2656	153426.6094	170664.2969	169461.4063	202622.3438	224154.2031	210721.0781
Iminoaspartate	0	0	0	0	39624.07031	0	174070.7969	189791.9688	107291.8047	113465.2891	141720.2656	0	0	0	0	0	0	0
Melibiitol	0	0	0	0	21490.99219	0	0	0	0	65118.58984	46324.02734	54616.92578	75905.42188	46363.125	55585.64063	79447.58594	83432.50781	95146.96875
3,4-Dihydroxymandelaldehyde	0	0	0	0	0	0	87565.61719	87287.0625	114807.2109	0	0	0	0	0	41186.77344	53871.95703	35460.33594	105776.6563
5,6-Dihydroxyindole-2-carboxylate	0	0	0	0	0	0	621933.875	473798.0625	518953.5	510738.5938	472399.4063	353774.7813	469917.75	660528.6875	373351.6563	785282.9375	368978.0625	512386.1563
Asn-Gly	0	0	0	30855	55199	48104	29379	57389	53499	150982	114925	124756	202265	168984	201817	187679	184159	218825
Sulmazole	0	0	0	78558	69807	66198	27649	62733	45195	121991	137824	89619	97191	84920	89948	119284	121539	108300
[FA (14:0/2:0)] Tetradecanedioic acid	49833	58013	76831	69185	49990	64252	113860	60002	74418	50011	49021	38815	34227	31721	38624	57192	51770	58432
N-Acetyl-L-leucine	46219	170684	228832	184806	269099	258101	388878	535055	478055	566460	501168	574446	374122	552462	446737	721040	527492	536601
2-(sulfomethyl)thiazolidine-4-carboxylate	20755	23797	22087	109993	115179	124944	337462	340093	361354	110277	87561	109942	130692	119555	116297	126311	104190	105682
uridine-5-diphosphate bromoacetol	77004	93912	134399	418843	301382	428056	37229	0	33265	1749231	2679377	2550846	1315553	2153093	2010056	17490	0	14104
Cantleyine	1005269	712352	663285	1146696	891124	888451	1589334	1456213	1351490	2091100	1714888	1689595	1853978	1613205	1479546	1886235	1907842	1855190
Glu-Cys-Cys	0	12882	0	12098	23250	30454	42521	48364	64096	61254	61323	47408	53766	55351	64448	56802	66042	77737
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose	595814	149595	486807	589734	364941	596822	710354	558178	555515	376788	396600	465843	409453	495715	335620	368191	329918	243153
Flaccidin B	312554	141251	230778	1596417	1135051	1218340	2317584	2761532	1280722	1328321	1892056	1173234	244885	187963	196808	616408	512100	416616
Capryloylglycine	158831	125396	140174	154775	82160	121457	69546	90373	106100	176812	75347	157889	224557	110367	161499	108914	145242	77538
L-Cysteinylglycinedisulfide	0	0	19121	0	0	23374	0	0	25454	0	0	31275	0	0	33000	0	0	25805
Farnesoic acid	377492	346572	331614	683007	614091	719016	487834	534465	512774	873640	877609	739159	1067398	1047938	913345	807181	882737	795133
12-Hydroxydodecanoic acid	81061	63054	68137	121173	54939	71726	58643	42409	76435	69489	48527	81655	40849	40821	41379	53206	79334	92197
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate	117276	114618	99964	124925	112407	126145	116254	146784	162215	216179	246435	230770	240423	166860	205455	231291	217106	206841
2-oxosuberate	42564	26189	19436	45558	31190	37615	67578	136125	54140	35848	26510	27729	40648	29444	47115	67903	32907	56404
perchlorate	69373	33650	87776	647842	589464	684445	103386	178368	80029	99657	184111	128914	49692	126249	64100	88569	91044	39000
ethanedisulfonate	251960	264955	244045	578569	692669	576756	742996	788958	732904	774612	896150	831537	898370	919793	774078	925376	1010209	753745
HEPES	239674544	287908416	221247232	644910528	628215808	602430784	782931712	782708032	690463104	869935616	926883392	805557824	988971072	957014272	996236480	973922624	967261888	941608768
L-Erythrulose	393155	324329	287627	383047	374005	361096	341872	384462	374616	180586	150003	160281	159733	181402	186426	230735	234409	240536
2-Ethylhexyl phthalate	5098395	4356631	4577045	12123902	10751297	10043600	13071522	13927777	13530488	5639143	5192559	5092730	9193598	8596147	7572913	8697997	7175577	7020726
L-Hypoglycin	113532	92794	79306	92421	98699	82463	191581	161586	137591	57654	65571	60906	76570	67525	61078	81180	67653	82626
N-Acetyl-D-glucosamine 1,6-bisphosphate	50371	57964	64672	87582	93712	84428	98530	83312	92780	181722	201475	199421	244696	237562	221892	252214	249440	214495
Sulcatone	2033835	2050648	2168571	876363	982255	916953	1498044	1505701	1380804	671413	655166	631874	878031	902718	932786	1433314	1479099	1332204
Met-Gly-Arg	92066	101007	55874	120394	115370	111666	131932	112999	98229	72386	72579	53922	90851	73903	76720	75677	77443	99350
PS(19:1(9Z)/22:2(13Z,16Z))	48231	67617	72383	94834	113498	102304	0	0	0	240501	282837	203484	394217	330746	292801	327918	255263	278796
CAI-1	398353	372849	356874	571078	615238	557502	463663	442625	486316	699365	708656	636332	569494	559622	558009	753010	772428	771311
5-Deoxy-5-aminoshikimic acid	9528	14126	23583	14316	18354	26923	12169	19329	28981	695816	611412	611395	790476	640082	654003	693531	706638	664081
[FA (11:0)] undecanoic acid	311199	292752	310046	429768	469819	360489	320082	321205	338124	438141	346975	393792	450230	420049	417969	435077	481634	449197
N-Glycosyl-L-asparagine	233962	202586	182802	963548	598373	541646	1473091	1460872	1073419	774059	695306	539660	1423597	1224872	1006339	2093711	1998488	1876884
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	112097	151966	145320	137537	179375	208369	86120	96970	128913	177069	183881	208369	189095	229090	261267	213016	233579	222863
Arecoline	109186	120032	107465	125717	138875	139634	148260	147113	147465	99115	149967	133264	141999	131586	132780	140294	120037	112319
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol	269985	211367	194697	357389	315631	252129	459520	378546	330477	279455	271188	248430	476868	376825	330415	271866	314022	299473
Norepinephrinesulfate	65317	65320	69430	102676	96820	95617	83343	120204	90519	5144	4744	11430	6624	11921	5419	12297	12624	10477
Vinylacetylglycine	661349	551410	586833	638770	676261	588800	1160988	1168776	1017403	637369	600741	534862	714483	728452	695135	1011060	1026900	997005
3,4-dihydroxybenzylamine	3858191	4803136	4790997	5618657	6136142	5307011	6704219	6745368	6078666	2949812	3620052	2816535	3816631	3264000	3451110	3280042	2903287	3242149
Apiole	652481	611190	549324	697633	597837	685528	588975	580228	523245	693903	616225	636937	634701	712090	544571	722510	707545	684895
sodium dodecyl sulfate	8132922	7943834	7191357	615472000	536233600	558335168	6877722	6419884	6420338	7087290	6033551	6011276	17313714	14452953	14917771	20687492	19695836	17637424
Otonecine	209210	232805	221795	365246	202648	197903	631216	712010	822140	442123	552314	712844	344762	449564	574200	695766	734616	690931
Ala-Asp-Asp	20010	27003	20777	18068	18771	14589	22975	16251	21141	565523	607173	553172	485020	519506	540843	610008	631750	590174
[FA (13:0/2:0)] Tridecanedioic acid	129499	154074	121338	198980	138701	139292	121971	108184	103162	54849	48271	139043	129409	124524	81175	169225	110451	61370
3-sulfopropanoate	165554	104490	89936	170367	134097	120960	182063	153894	143138	175233	99703	103796	169826	164274	130692	137745	103580	99428
Glycylproline	65255	80305	70691	158427	115693	118147	247056	216607	219533	113690	139768	96010	68009	62347	65794	95310	86836	86194
Laudanosine	55839	110044	55797	173107	241620	86985	133400	150611	136736	85635	153599	87465	98791	105727	85179	175620	162493	143080
(L-Seryl)adenylate	8035735	6685694	6130606	8796220	7803081	7751814	9403825	8981549	8157576	749334	571520	512038	630293	750366	544191	844303	706428	715939
Pentanoate	223041.2656	271865.7813	266387.4688	241054.0625	156575.7969	251202.125	273359.9688	274872.875	335791.9688	406455.0313	364774.0625	452675.7188	330166.5625	298012	396529.1875	289844.3125	320400.2813	273516.75
nonulose 9-phosphate	78872.35156	72730.48438	64130.48438	75808.39844	63313.94531	65106.54297	79877.40625	72641.94531	77309.34375	563526.0625	581911.0625	520886.0938	442479.375	422440.1563	359775.7188	626599.8125	580765.125	593670.1875
Glu-Asp-Cys	67644.54688	77286.57813	49398.50781	145914.4531	140254.2656	133452.5	239656.9375	236345.1563	205614.1094	161793.6094	168955.5938	123453.9375	77646.53906	73243.51563	69974.375	107336.2656	94870.71094	117105.9219
2-Deoxymugineic acid	33513.08203	28523.26758	27931.66016	216027.9844	163143.7656	133592.8281	179297.0313	145415	140364.9063	25473.28906	0	0	33323.96875	23221.24609	14759.3418	54136.92188	27020.07617	28597.45117
2,2-Iminodipropanoate	67828.46875	126498.0859	132174.4688	84668.5	128316.125	158140.0781	112770.1719	122704.4688	167510.7656	629515.75	634021.5625	575149.125	715060.6875	626427.25	643721.8125	650907.8125	664354.5625	719915.25
Glu-Leu	104149.7813	120192.8984	95143.35938	128452.9609	102681.2266	97335.99219	83713.88281	99099.25	87248.71094	220688.75	226699.0781	159208.0469	177125.4063	213901.1094	165874	143283.0781	185104.3125	201794.2188
Asp-Asp	229812.4844	252881.3438	234650.5938	226459.1875	222891.0781	220832.7969	226692.75	221491.0156	214220.6563	737443	834058.625	835404	780288.875	750398.5	670771.0625	872242.25	846579.125	724299.125
Ecgonine	226415.4375	178872.9844	191759.2969	188187.75	172070.7813	150803.5	181248.0469	141822	150462.0625	93173.47656	78450.09375	80878.64063	93029.875	93156.17969	84733.5	82934.86719	83479.83594	80072.89844
CoA-glutathione	27760.38867	20117.00781	32360.92969	45279.43359	37793.88281	45574.97266	26734.13867	40782.53125	37050.64063	72881.32813	87137.85938	90851.23438	117955.2109	120622.2344	121810.1484	117602.3594	113312.8281	116641.7891
4-Methylene-L-glutamate	126393.9766	131811.9219	122724.4688	155021.3906	129980.8906	159905.3281	142827.4063	132417.7969	145315.8125	110854.5938	112387.3125	99139.53125	107898.8125	108343.1016	99513.1875	115816.7813	122621.9297	114082.9141
Aspartyl-L-proline	33604.85156	23596.07813	31233.03125	36888.76563	29101.03125	21095.25391	23635.15625	27452.59375	28679.55273	1310916	1135929.5	893681.875	1232502.5	1044048.438	908204.9375	1154638.75	1105822.125	903138.9375
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	471273.9688	415158.75	421747.3125	504813.1875	461878.2813	412133.5313	490005.0313	466045.5625	486151.1563	203328.8438	194738.0625	82552.89844	193876.6719	222867.5156	174201.5625	183262.9531	212212.9375	244457.0625
Vanilpyruvicacid	73339.6875	47686.69141	89095.5	120171.8047	110620.4219	154488.6406	127019.3672	86297.75781	110678.8047	49534.99219	55577.62891	53887.38672	127855.1875	129430.0547	97488.1875	104216.3906	84632.3125	82805.42188
Cardiospermin	76414.10938	53589.66797	91994.6875	64581.01172	44793.50391	104478.1875	104502.9219	84278.4375	121366.9844	0	0	72745.25781	0	0	85149.875	0	0	54815.42578
momilactone A	136061.0156	129830.25	137301.2188	146115.2188	157118.2031	118597.6016	142514.5156	182749.9688	129363.6484	173186.6406	122637.75	123748.75	135844.0313	131730.7031	134470.9375	154824.7344	130416.1484	133135.625
4-Hydroxyhexan-3-one	1120261	961276.125	1298742.375	810994.6875	867425.0625	1332885.25	1533964.625	1613472.125	2012631.75	1487440.125	1427946.125	1808644.5	1437867.75	1285013.5	1855020.625	1538585.875	1562267.625	1815386.75
Arg-Leu-Val-Asn	29246.02734	26486.43164	27441.12109	27331.24609	25522.75391	23396.56836	27768.75391	25786.18555	27173.4707	205539.9375	188400.3281	191074.5313	195578.3906	172629.2344	200182.3438	202027.75	194219.625	233674.625
Phenolsulfonphthalein	62839608	68908704	67395776	77694936	79709064	78044384	88114776	79658864	89193096	41905292	40823124	42355676	48595928	49305148	48876676	53203592	45277776	47754236
[FA (11:1)] 10-undecenoic acid	76216.74219	68880.85938	56830.30859	55621.49609	68407.88281	54672.67188	101498.3438	95332.30469	84941.96875	178408.3125	118565.8672	108972.1484	105786.7813	106470.3906	92197.17188	102893.5234	86228.46875	103343.5234
Glu-Met-Met-His	1003825.375	992048.25	985071.5625	1214296.125	995120.5	918313	357787	265037.0938	215858.3906	760708.4375	641679.3125	494058.2813	560678.125	502060.7188	351571.5	553966.25	518527.25	482151.3438
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	36528.37109	38059.26172	31874.68555	40764.16797	33224.07813	30511.5957	0	30237.87891	38852.6875	102268.8516	89166.4375	96800.10938	119086.8984	109571.1641	113139.2266	130948.5938	122089.0547	106537.1172
(6Z)-Octadecenoic acid	245826.1563	279785.5938	276136.4375	236052.0469	291265.75	282708.9063	213156.6406	267511.0313	259007.3906	226565.0625	277886.4688	270607.0625	197258.875	253161.5313	271850.1563	252189.5156	276225.625	312110.8125
ancymidol	322187.0938	292670.0938	269478.6563	372331.3125	348715.8125	294343.9375	358523.125	311649.5	309314.4375	153104.1563	164418.9531	144238.1875	151026.7344	138393.2656	166788.9844	160956.375	146845.2188	159194.0313
Fagomine	1402511.875	1373970.875	1197672.625	1309666.25	1272941.625	1123087.5	1446456.25	1188727.25	961130.5	652534.25	515217.4063	406686.9063	514709.875	451855.5625	453054.2813	560567.25	520016.2188	535542.5
hydrogen iodide	1392215.625	1341043.75	1137711	1218626.125	1192653.25	1031519.438	1265697.375	1042764.063	1070299.75	364618.4375	220868.875	201310.7969	341600.1563	199273.3594	170475.5469	279036.0938	276591.7188	167621.2031
PI(36:2)	372681.4688	393680.7188	318171.7813	504771.5	383292.1875	513268.6563	315649.1563	280183.25	276274.9688	157712.1563	0	0	223601.3125	147299.875	0	0	0	220985.1094
N3-fumaramoyl-L-2,3-diaminopropanoate	320829.625	268536.5625	252402.6875	546250	498826.9375	372272.1563	838421.9375	518092.5938	567707.625	525910.0625	359027.0625	273298.75	626281.1875	557148.6875	347103.75	707506.125	570176.4375	458873.0313
4-Nitroaniline	86920.22656	66401.72656	79297.69531	40194.86328	36566.45313	65381.21875	50181.86719	46064.70703	66050.86719	136144.0625	113437.0313	75948.14063	30455.50781	26998.06445	47064.69141	26170.7207	21502.50195	52115.14453
Cys-Met-Pro-His	134467.6406	134662.2031	180093.5469	144829.0625	142616.1563	191010.8906	163769.6406	178041.5156	203759.2344	147224.4063	134185.125	171773.25	181444.0469	165295.9844	145785.4219	197479.7344	234929.9844	188656.5781
Monomethyl sulfate	1001849.688	1180037.125	971612.375	1057335.5	988182.25	896983.875	1051284.25	959616.1875	1009240.563	969084.25	997054.375	929405.9375	925540.75	935593.8125	905792.6875	889524.625	939620.125	985964.5
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone	894935.0625	936530	818306.125	908191.625	813606.5625	681600.4375	754174	622819.125	639586.625	873553.3125	590926.6875	683541.625	644332.6875	639286.625	674101.9375	834184.75	807624.6875	529979.125
Asp-Leu-Lys-Lys	9305.96875	10452.86133	9570.075195	9645.160156	9307.811523	9139.62793	11417.5498	7835.101563	9540.696289	110977.8906	83400.46875	95419.38281	103134.9297	91609.55469	91467.20313	110632.9375	101762.8203	93826.07031
ethylpyruvate	110906.2969	121658.0391	291650.4063	100407.7656	107440.6328	298230.7813	110565.9375	133307.3906	259700.0469	301951.4688	296893.6875	410669.4063	274223.2813	258939.0938	449289.6563	265359.5313	282663.5313	350435
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1-myo-inositol)	91257.69531	110768.8438	138528.6563	123932.8438	94066.91406	94528.33594	120132.0156	108922.4375	140222.3594	567666.5	600501.4375	437102.6563	627207.375	466832.5625	539439.1875	585408.625	636220	581781.9375
[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol	306647.75	295072.1875	282700	222874.125	221084.3594	244393.5	237875.5781	243285.5781	257581.5156	249861.875	217456.5313	215897.0625	192150.7813	209507.8281	203130.2188	168901.6875	181315.75	150060.9531
dXMP	1864340.75	1759388.625	1748467.25	1770390.25	1581634.75	1684785.375	2187373.75	2057814	2042827	4854570	4719664	4559015.5	4736111.5	4701217	4769599.5	5918106	5562497.5	5451761.5
N-Acetyl-D-glucosaminate	1366499	1122657.875	837252.4375	1242747.25	1127124.375	902136.125	1368292.375	1169662.125	918633	343306.7188	266917.4375	237475.6094	593088.3125	667180.4375	505785.2813	972619.875	926102.9375	772480.625
alpha-D-Mannoheptulopyranose	114350.5469	135472.2813	108748.9297	145177.5313	135123.6563	100503.1016	114277.3984	128551.6641	89330.25	0	0	0	0	0	0	0	0	0
Arg-Cys-Gln-Tyr	338918.9063	280298.1875	205348.2344	212986.9063	169603.1563	183886.0781	178806.8594	120026.5156	168819.2031	266344.75	246790.9063	192125.5	250205.2344	288487.1875	209310.6875	234800.8594	266830.1875	230596.2656
Muramic acid	13023748	11193949	8685386	14577819	10703005	9864954	20447382	19043006	15446870	18335702	16339600	13318194	22672584	19573744	16924802	36154268	29799176	26693632
[FA (13:2)] 3E,5E-tridecadienoic acid	163279.4375	157244.9219	127773.1172	198023.8594	237032.2031	180075.1719	151032.0625	140010.5625	117950.5781	155446.2344	150584.3125	142935.75	174582.7031	136505.0625	155505.4688	153778.0625	196215.8906	153725.3906
N-Acetyl-D-fucosamine	62869.62109	129015.3359	71063.55469	54885.66016	32604.49414	52857.88281	0	12916.20898	26528.86914	91773.61719	74573.08594	94200.94531	85046.21094	88423.03125	82685.875	87451.08594	85869.02344	94058.24219
[FA (20:0/2:0)] Eicosanedioic acid	77630.92188	158592.5	111974.9766	0	0	0	193697.7969	156696.2813	157261.3594	158421.2813	168971.8594	135987.4219	86229.41406	83978.94531	84928.28125	161409.2969	154451.3281	161874.9688
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic acid	2977854.25	2142163.75	2093492	2533689	2363135.5	1948182.5	2611192.5	2516218.75	2053025	28109.21484	27447.32617	30544.31445	32124.20313	37405.47656	25487.42188	28287.23438	28478.4668	39494.01172
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid	163747.4531	144118.125	247376.4063	191915.7344	174533.5313	284809.8125	268299.3125	274296.7813	250289.4063	219386.8125	231424.2813	341904.8438	264820.875	164802.8594	266983.1563	274816.75	212845.1406	303299.375
2-trans,6-trans-Farnesal	310335.375	324473.875	302511.9063	365821.75	288451.8125	299163.25	332315.75	386062.2813	376606.5313	296360.375	223509.75	257831.9375	278904.5625	267105.9063	263160.4688	235244.5156	247570.5938	224303.1094
[6]-Gingerol	14935392	14349709	15222566	10075736	10363819	10074755	13396096	10980491	9914516	9799328	10133754	10111321	9238428	8167558.5	8183519	8458453	7874361	7687977.5
2-Dehydro-D-xylonate	55164.10547	57813.32813	105432.4063	53997.28516	54348.66016	106418.9063	65403.50781	70646.67969	114244.0703	141751.2969	129087.1875	139106.125	150282.1563	120323.0938	147013.0156	135671.5313	117241.5547	161029.5469
penem CGP31608	109330.5781	101802.9688	69752.21875	68672.36719	59654.44141	89291.90625	50879.84375	0	22394.70703	62012.10156	40910.86719	35148.34375	65605.70313	67700.89844	70230.78906	51306.95703	44500.83203	48028.55469
Quassin	25963.82813	25417.01953	26442.13477	83353.11719	63512.56641	60841.46484	55713.97266	32218.7832	37176.43359	37072.94531	34277.53906	33307.73047	32136.12891	19628.09961	10443.86816	33537.25	40249.04688	31733.47266
His-Met-Trp-Ser	0	39007.28516	0	280562.1875	253479.9219	218369.1875	512215.4375	462801.8125	409332.1563	74989.27344	86741.875	44783.99609	122106.2031	162682.0781	118098.7656	323613.625	296136.5625	280486.8125
[PR] Citronellyl acetate	73962.89844	54905.21094	65875.9375	76593.5625	95637.875	81695.52344	97097.875	90967.5	100111.4063	165347.9844	141524.875	134415.6719	129500.5625	109177.8438	143273.9531	172820.7344	155426.4531	156325.8438
Glu-Glu	0	0	54077.71094	0	0	56501.85547	8079.270508	8457.125	41006.13672	31771.48828	31027.99219	85116.60938	31518.36133	35457.13281	64468.77734	34296.96094	32450.52539	30515.70898
trans-4-Hydroxycyclohexanecarboxylate	134375.2344	166897.7031	232308.8594	219679.2656	147589.25	217620.6094	270591.0313	266710.7188	315611.5313	260207.3594	184490.7813	222749.6563	231184.5313	247466.6406	188358.5938	168991.5938	174115.0938	297803.1563
[FA (17:0)] heptadecanoic acid	2601335	2393805.75	2106504	1814814.125	1945342.5	1664494	3377247.75	3453970.25	3069075.5	4866787	4195793.5	4526364.5	3420843.25	3124149.25	3028499	4844149.5	4616129.5	4195842
(4E)-2-Oxohexenoic acid	76951.22656	74397	42700	26591.03516	42054.73438	43121.59375	117921.7891	124737.1328	132655.2188	56254.28516	60074.41797	148690.1094	57132.57813	52535.87891	56658.01563	50349.9375	66737.03125	61224.92578
2-hydroxymethanesulfonate	182185.7813	179280.9844	143058.7031	188602.9219	170565.1719	153034.9063	138080.7344	128726.4297	98978.07813	81123.36719	53711.16406	60003.29297	100245.5313	110567.1016	96355.04688	96053.33594	119877.4531	106008.8594
Diethyl 2-methyl-3-oxosuccinate	196147.2031	152518.9531	169637.1406	148487.7344	97496.67969	115049.8594	296267.1563	187690.8594	161767.4688	151533.4531	173374.9375	143279	113002.7109	70749.39063	84494.64063	140674.6406	191007.4219	86685.78125
L-Ala-L-Glu	128997.7344	128802.5859	275429.1563	151228.4531	170001.0313	322103.4063	314233.8438	239480.7344	302676.5	972672.75	766528.75	864508.875	993741.375	680637.125	926537.3125	1037044.938	919654.375	893382.4375
glutathione-sulfite	87729.05469	76177.02344	73309.64844	106299.875	95475.29688	113201.1875	237743.4219	204443.1875	194188.7656	177299.2813	154940.1875	131402.9375	302026.25	300794.2813	256470.5156	285061.625	229877.8281	191217.5313
Nonanoic acid	8642689	9049268	9932818	7853481	7956134.5	7899430	10130939	10605955	10226594	8454085	9089972	8784906	7777764.5	7415608.5	7856670	8272258	8638735	8432743
[FA methyl(6:0)] 2-methyl-hexanoic acid	881491.9375	954968.5625	912554.6875	541152.5	575999.9375	672483.8125	1047460.625	952730.5625	1054135.25	894426.25	923686.5625	1077133.375	879333.125	814956.5	878752.625	792251.875	912862.6875	1011605.063
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	293939.7188	521405.125	314508.0625	347372.125	422234.3125	335248.6563	402840.5938	315343.4375	524122.1563	316431.4688	356265.3125	291492.1875	396798.25	284754.4063	320794.1563	379943	288227.5938	396931.9063
Capryloylglycine_2	826194.375	807588.125	854587.625	882479.5	611823	333631.6563	1243836.125	1189677.5	1158977.25	800652.125	573210.875	690231.9375	742123.9375	566217.5625	448125.7813	622093.5625	647277.1875	581385.625
N-Undecanoylglycine	6693795.5	6057548	6034480	4439914	3814378.25	3604712.5	7228439.5	6714847.5	5516785.5	3739441.5	3389082	3773826.25	3603220.25	3612724	3770379.75	4187678.5	3978187.25	3972586
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserine	566470.375	688264.5625	849239.3125	294907.9375	388077.875	377907.0938	832860.1875	947477.625	1231602.75	688242.3125	782608.125	905296.1875	752287.5625	762015.375	980535.1875	973453.3125	1010030.375	1255926.625
Cys-Thr-Ser-Tyr	90002.74219	72754.57813	105095.4531	71881.29688	59106.65625	77724.55469	287573.625	218915.375	285351.5625	0	101039.0234	187984.7656	0	183709.0625	108186.7266	0	0	0
Dehydrojuvabione	528215.0625	374410.5625	358065.8438	157075.3125	140515.3281	160726.1719	307227.6875	280750.0313	335075.1563	205537.7344	180952.9531	153475.6406	164879.2188	124330.7578	107333.8516	164329.9531	225500.6406	181309.3594
Glu-Asp-Met	117947.4609	113383.5078	118358.9766	34151.62891	40315.125	38815.32031	68126.21875	70633.00781	58483.32031	0	0	0	0	0	0	0	0	0
2-Oxooctadecanoic acid	1008140.188	917995.25	880925.375	610180.8125	588161.25	620831.125	1412481.125	1380664.25	1243170.5	9469225	8557022	8414801	6928601.5	6126516.5	6003933.5	10435271	8870877	9234429
3-acetyl pyridine adenine dinucleotide	36977.46094	31647.29297	18939.85547	19233.08594	19314.25	6775.466309	40818.62891	41123.91016	20969.60742	72399.88281	43310.94141	35370.76563	60827.54688	37022.22266	42378.47266	141974.1719	123101.0625	81172.0625
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid	198397.875	443310.2813	160915.5469	225033.0781	327126.25	217919.8281	234891.6875	241907.0156	212921.0156	292804.4688	370668.2813	229382.3125	223717.4688	245061.6875	258717.5156	311345.8438	323588.4063	321275.2188
Diethyl adipate	516626.2813	446507.125	441405.9688	409125.4375	305665.125	313202.8125	514188.3438	641220.9375	525454.4375	498132.25	351621.1563	364773.625	276731.3125	261819.0781	215470.5156	278027.4063	323714.125	247671.7188
phlorisobutyrophenone	0	40500.09766	56147.78516	0	28686.25391	64970.01953	71281.54688	68162.5	71175.15625	49797.67578	55046.97656	60564.25391	37750.60547	0	96837.89063	43980.22266	35513.42578	41215.23047
4-Propylphenol	98295.25781	121255.9375	119270.9531	68647.875	75704.75781	95310.59375	172663.1406	184878.1406	171609.0938	67905.0625	58763.51172	58430.30078	118016.0781	107753.3203	96201.125	59970.58594	47189.11328	60897.61719
Furfural diethyl acetal	128758.8281	123268.3828	78270.60938	87969.875	110246.4844	79095.45313	1398936	1289401.125	1011649.375	472722.9063	302604.2813	255434.0156	249574.8281	210909.3125	175348.7813	379155.625	284997.8438	272350.8438
[FA oxo(8:0)] 3-oxo-octanoic acid	171095.5156	199182.6719	226810.7813	384369.125	343958.75	354228.625	646269.1875	602196.125	602959.4375	514167.75	581523.75	536498.1875	359504.0938	360461.2188	401513.5625	543731.5	551354.8125	541618.8125
penem CGP31608_2	222010.625	247713.2656	186461.1875	0	219853.7344	75734.84375	298128.7813	212867.9844	287190.9688	427775.0938	277736.125	250994.2188	527796.9375	317954.125	386911.625	390902.0625	375714.2813	437550.3125
Tauropine	92771.89063	61950.1875	50960.11328	0	0	0	346533.5625	300198.4375	244776.0313	663558.8125	566366.5	493758.25	458902.875	441340.4688	354109.0625	764047.25	690841.125	639994.6875
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid	1635588.875	1451684.25	1532226.875	878739.5	851938.6875	800661.375	1438311.75	1286054.625	1417783.375	1212507.875	1368904	1207511.375	1060366.625	923412.9375	917228.875	1098407.375	1169905.875	1090812.25
1,4-Bis(2-ethylhexyl) sulfosuccinate	512804.5313	461340.7188	409885.0625	366481.9375	227241.375	180671.7969	226622.5469	284635.5313	221358.875	305046.0625	253031.9375	236736.4063	327604.8438	249000.3438	314695.1563	527861.125	555048	476697.0313
2-Aminomalonate semialdehyde	59561.90234	43845.36328	51833.03125	0	0	0	0	0	0	142473.0469	129181.0938	95803.22656	157076.0313	170443.8594	173223.8906	252703.4375	250305.375	268340.5938
A-Ketoglutaricacidoxime	0	24403.96875	13154.96387	0	9899.381836	13764.92383	78322.33594	51862.28516	65676.125	85922.02344	96713.49219	92699.60938	80833.42969	67422.03906	60203.54688	73071.53125	66514.08594	80623.09375
Zoxazolamine	7966.932617	7991.352051	8891.604492	0	0	0	11827.78809	0	9104.524414	27119.9375	30762.81836	17144.14258	18931.36719	13027.73828	10112.20508	15393.60059	22686.43945	26425.77344
N-Acetyl-D-fucosamine_2	82180.89844	261838.7813	176961.2969	0	0	0	0	0	0	209036.6406	201216.3125	79155.92969	98761.98438	71208.16406	88139.71875	73788.82813	81876.33594	92481.5
Diethofencarb	0	0	24445.88867	0	0	0	95999.0625	134937.4063	105665.2656	599129.25	610279.75	596903.4375	601573.75	623000.625	540893.4375	651388.8125	554498	483043.625
Glu-Cys-Cys_2	7805.092773	0	0	0	0	0	0	0	0	136897.3594	119923.1563	108994.2031	0	24727.79297	0	0	0	0
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine	0	0	0	0	0	0	0	0	0	37229.03125	0	23406.29688	43556.51172	24326.16797	42557.51953	21570.85742	44782.18359	36182.64453
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic acid	0	0	0	0	0	0	330747.2188	307201.1563	245690.3438	131091.2188	82703.72656	114572.3438	69432.71875	64194.83203	0	75313.70313	76432.09375	133981.7813
Cys-Met-Met-Phe	0	0	0	0	0	0	0	0	0	171333.5781	199047.3281	134253.4063	0	69160.73438	44387.92188	130254.7734	78512.125	95698.38281
(-)-Medicocarpin	0	0	0	0	0	0	0	0	0	228552.6875	236276.4531	178908.1563	234699.6719	303752.5938	239729.4063	548759.5	569872	479216.4063
Nitrilotriacetic acid	0	0	0	17720.24414	16754.33203	14097.45605	79163.35938	78467.27344	70643.22656	66854.89844	58983.15625	50597.76563	26219.20703	20715.7168	36301.44531	44570.08594	39317.68359	31825.41797
(R)-AMAA	0	10787.02051	0	23283.5918	19214.76367	0	61766.39844	36902.47266	56095.15625	143574.7969	110747.9766	88803.52344	43950.19922	26555.79492	24714.07227	75963.32813	93567.75	58873.02734
Asp-Asp_2	0	0	0	0	0	0	0	0	0	81380.69531	51142.41797	43996.67578	0	15589.27246	20309.34375	43242.52734	53388.25781	22643.64063
Glu-Glu_2	0	0	0	0	0	0	0	0	0	95256.55469	75199.26563	71652.46875	51691.84766	81166.85156	47838.49609	118052.3125	100528.8516	96097.65625
Glu-Met-Cys-His	0	0	0	0	0	0	0	0	0	0	0	0	69030.28906	51729.13281	0	64897.80078	52553.63672	0
Leu-Asp-Gly	0	9343.354492	0	0	0	0	0	11717.17969	0	121499.7266	115848.3828	91687.35156	109887.7422	100950.9922	92392.29688	113741.7188	112628.4063	99753.1875
PG(36:3)	0	0	0	0	0	0	0	0	0	430227.4063	359443.5313	352127.8125	507835.125	502267.375	448307.3438	434735.7813	453477.9063	368032.2188
Asp-Met-Cys-Cys	0	0	0	0	0	0	0	0	0	541996.4375	531339.25	429268	460923.2188	439463.7188	426369	516736.1563	426204.8438	461278.4375
Asn-Gln-Tyr-His	0	0	0	0	0	0	0	16223.92285	0	0	0	0	0	0	0	21665.95898	0	0
UTP	0	0	0	0	0	0	0	0	0	601983	607138	602710	925016	926196	948647	1018260	1001926	888147
LPA(18:2(9Z,12Z)/0:0)	0	117207	120980	92664	160897	89289	72943	0	78313	0	0	0	101652	0	0	0	0	39680
N-Acetyl-L-phenylalanine	183379	81682	142112	216859	174610	162755	226249	342483	396262	367578	398333	535212	390534	363561	370068	485994	542370	416165
N2-Acetyl-L-aminoadipate_2	44615	51226	29915	34609	46949	37467	52810	33563	58274	174990	175767	125563	180648	212663	175690	240800	137959	150849
L-Arabinonate	3373527	3396537	3032065	8329976	7148858	6825960	9611006	8601398	7529842	816852	727009	691038	1464070	1231784	1280069	1872171	2016275	1904379
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid	108073	133272	131163	178999	135030	152823	195161	253269	188166	216103	216159	236384	261672	273181	262461	250727	254665	230848
N-Acetyl-L-glutamate 5-semialdehyde	401967	518184	624198	1705498	1406775	1844194	2834414	2940362	3296199	1861906	1890992	1997273	880869	733473	872436	1184965	1142689	1264414
3-Dehydrocarnitine	98311	159939	159212	101489	235110	198958	135988	272071	276524	95814	196251	176666	148043	195418	234352	104481	216980	111123
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide	0	0	0	78602	0	0	78111	67021	0	0	0	0	0	0	0	0	0	0
LPA(0:0/18:0)	689131	687611	693696	657148	651019	552375	660363	509633	670118	575426	466169	509023	730343	676492	639000	559201	606720	608075
Cyclic ADP-ribose	1572258	1473938	1359749	1838228	1555102	1589986	1807575	1760341	1598161	4260758	3585951	3557386	4493937	4468882	3781377	4314614	4297127	4195219
O-Acetyl-L-homoserine_2	127863	123423	93256	463822	387387	252397	798169	638100	462293	338150	234334	184488	769932	429264	384231	972364	697042	665309
Maleamate	224656	194276	228619	286923	281969	451359	234673	240083	320789	202147	89311	138828	102648	143722	171810	235959	224131	278772
Sinapoyl aldehyde	72317	65357	31174	67616	83899	65006	87462	93506	79165	53985	0	47994	45452	46511	34434	50093	54344	54124
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	1963555	1906997	2035018	2145596	2267391	2239487	2100995	1806410	1885587	1906964	1676421	1685660	2389753	1939445	2265401	1961344	2013042	1844313
2-Aminoacrylate	5210	5494	5152	10047	5149	5079	6296	9242	5447	129841	125566	130407	173840	189468	172657	186028	139422	148287
4-Oxoglutaramate	15239	15883	23130	20125	15698	20900	18992	23601	24106	97651	96923	118077	98984	101258	106167	88404	89062	97627
3beta-Hydroxyandrost-5-en-17-one 3-sulfate	368101	342917	352701	586537	624321	631833	668989	770837	657002	337566	367701	256497	497488	443443	421369	368046	407210	403134
Urea-1-carboxylate	32053	32441	21321	36069	30686	43309	76441	58133	77214	37188	23280	34614	62643	39202	72325	32664	33088	38992
L-2-Amino-3-oxobutanoic acid	137469	127031	134316	167732	160396	147798	88984	120306	111686	158760	148629	171587	196647	176324	173910	231387	200552	188444
Icosadienoic acid	0	0	72236	0	0	0	87404	176726	72592	116476	192758	154501	155092	179134	95929	177740	170663	121455
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphate	1085107	908490	1006903	1061394	1038017	1224176	982747	993872	999018	1149415	827865	802997	1106632	893994	1169138	990043	959948	1101136
Oxoamide	44821	44033	59208	81062	80596	86134	84149	80408	111361	47980	46162	66340	55012	57373	65023	60960	51808	63743
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	136161	145992	115788	162692	171628	154835	122030	148245	127969	221134	168679	178634	308968	249293	279438	200028	181490	189587
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	16813	11887	14843	23870	19915	24452	28224	19710	24105	2914304	2725202	2744901	3516515	3063892	3029190	3638678	3116640	2921490
N-Acetyl-D-glucosamine 6-phosphate	297720	266264	242042	392193	363256	291699	386069	373271	340750	1502708	1254415	1163305	1635763	1464050	1225988	1705652	1424225	1302603
D-Xylulose	1291229	1119874	1052309	1870271	1883993	1822524	4404576	3666215	3982516	1627990	1406066	1357386	1722565	1804423	1610341	3510152	3003871	3106234
Sulfoacetate	304716	280778	211992	262471	213579	145177	271393	264018	228645	371255	332561	274754	315031	243467	196276	319057	303787	322967
(S)-Methylmalonate semialdehyde	8897535	7706744	7341545	11893289	12510578	11087550	27149204	27280944	24454816	9847362	10303572	10247296	11933874	12360906	11491006	21451312	20759464	22132154
N4-(Acetyl-beta-D-glucosaminyl)asparagine	69965	906050	1103840	189589	913244	1445780	181744	2879876	2824029	0	301092	578112	0	348123	681336	75416	855980	1539916
Sulfoacetaldehyde_2	46765	50544	50826	58876	58439	45795	126535	137474	103303	252562	262771	226077	231903	259879	304934	349127	254288	334116
2-Acetolactate	2995391	2461783	2257565	3758966	3935058	3415764	8952258	8421797	7830467	3141732	3010161	2923111	3293515	3598634	3145936	6111501	6258461	6477277
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	74793	86463	78924	129908	95241	96543	128784	113421	110764	0	0	55773	51739	81042	54808	48176	88085	47649
N4-(Acetyl-beta-D-glucosaminyl)asparagine_2	279692	320332	261457	226568	241018	214061	238724	243855	228587	1027744	823268	738627	914838	899930	731165	957066	881201	868296
1-Aminocyclopropane-1-carboxylate	48459	72920	73619	109878	96399	77112	59408	149371	81682	57054	104256	103617	52961	82723	92684	63158	81353	73145
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	862771	677724	582444	821407	756904	586586	723370	629144	469444	287895	265511	206488	287456	244882	188331	206853	240114	199058
2-Hydroxy-2,4-pentadienoate	8772421	7668045	6922452	11529123	11905292	10990448	26633800	25173446	25291414	9933171	9240912	9472016	11959750	11778949	10597546	23050766	21285726	19739222
LPA(0:0/16:0)	1178957	1115260	1199492	1272913	1515943	1551255	1212879	1157772	1131812	870304	934284	944290	1562827	1051507	1157837	920559	1067512	1170377
2-Dehydro-3-deoxy-L-arabinonate	250979	238479	243418	301616	267774	260560	334171	292721	247186	294126	236620	246207	282143	251454	258935	277539	261028	293072
D-Glyceraldehyde 3-phosphate	22393	21556	17005	0	22910	18774	55398	31578	19459	103288	100798	67345	99526	95269	84231	118016	115227	107772
2-Hydroxyethanesulfonate_2	204283	193318	225707	258261	338073	467558	255495	252279	429516	3834451	2916966	4625846	311942	371319	439978	210290	228350	291953
LPA(0:0/18:1(9Z))	608474	559971	671221	663456	683766	752772	646588	596475	571698	640396	603314	545077	816493	653409	720577	632611	595725	684844
4-(2-Aminophenyl)-2,4-dioxobutanoate_2	0	0	0	88565.59375	180280.4688	102448.0234	289003.5313	302762.8438	213700.0625	442734.4375	515305.7188	362324	580835.4375	550967.5	390569.5313	955739.125	935980.625	858340.75
Sorbitol 6-phosphate	13685054	9164723	7513437	13173730	9954469	7745263.5	13292809	9277449	8668817	7036158.5	5612274.5	5394231	8264373	6652333.5	7106675	7255123.5	6083847	5713549
LPA(0:0/18:2(9Z,12Z))	185579.8906	179095.4531	172617.8125	262055.625	215745.1875	199464.375	217120.3125	190100.1563	253401.4063	157785.4063	171824.0781	138235.1875	174399.2813	198592.0781	201838.1719	180667.2813	173952.0156	149828.7031
L-2-Aminoadipate 6-semialdehyde	362988.2813	342665.5938	546825.1875	243635.7813	195932.7656	232042.8125	631609.8125	494597.125	427150.625	385522.625	361893.6875	302492.4375	449415.9688	448199.4375	394841.5313	489956.6563	468946.4688	435660.25
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	1634312.875	1512071.875	1440014.875	1705648.875	1671785.375	1582409.125	1069741.125	1081532.625	1043137.75	1665792.375	1414168.5	1234698.625	2322850.75	1916329.75	1638962.625	1519342.625	1409022.75	1262021.125
Maleamate_2	664896.1875	585770.625	533038.25	783417.375	724855.75	648591.6875	757870	720261.8125	703703.5625	1158451.625	1064974.375	1022049.188	1325973.625	989893.875	1388115.75	1365301.125	1363667.875	1100261.5
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid	632866.9375	677137.8125	665148	1019729.625	1106768.5	1066754.125	688580.25	770127.25	722575.6875	694463.625	853347.9375	814551.875	1000377.25	1004229.5	892630.25	923388	1033710.063	832140.375
1-Aminocyclopropane-1-carboxylate_2	82770.25781	158660.875	152989.2188	143828.7188	196904.2656	152850.5313	132922.8906	218790.0625	181364.0156	571222.8125	471209.4688	384177.9375	589507.1875	546829.5	478239.9063	505051.3438	515993.5313	512111.8438
Linoleate	2866492.75	3172266	2516944.75	6120107.5	7114583	7706307	5314875.5	5294919	4963280	5107914.5	4882674	5051555.5	5084846	4732315	4742677	6254042	5436136	5309575
2-Oxoadipate	205231.1563	165060.0625	118850.8516	292487.875	242923.3125	225293.75	448507.5938	260545.4375	403876.5	232409.1563	201578.375	251345.4688	357903.5938	304055.7188	231820.7344	420146.1563	319817.0313	339933.0938
3-Methylbutanoic acid	645088.1875	659416.0625	788131.4375	622360.5625	630827.375	894448.8125	562054.75	815935.25	879767.8125	1519833.25	1353403.875	1950617	1485742.5	1584485	1885367.875	1601824	1360484.75	1628480
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	472071.5625	485810.4688	351164.8125	570139.625	440299.4063	318636.1563	375264.9375	344355.5625	197504.8594	174582.0781	153148.0938	122957.5781	297593.5	177317.7969	173640.6094	224611.7813	200289.0469	158229.9375
L-Glutamate 5-semialdehyde	82411.8125	91963.16406	82700.89063	168561.4063	195453.1875	159546.9375	330458.75	275358.5938	222571.7813	188328.9219	131624.2813	117415.9219	274203.9063	240891.1563	248682.5781	432178.0313	435889.3125	351837.7188
[FA (20:0)] 11Z-eicosenoic acid	183586.6094	81202.24219	156549.8594	0	0	132206.8906	209826.5625	170060.0469	156308.9063	166463.6563	189441.6094	148184.6875	145950.2344	210332.5313	169531.0625	166140.5156	152507	164893.7031
N-Acetyl-L-glutamate 5-semialdehyde_2	363852.5	476575.1563	357738.9375	400645	377839.1875	299855.4375	348490.4688	333167.3438	273660.625	3686491.75	3019525	2857056.25	4085016.25	3295052.5	2354929.25	3538245	3009301.25	2525703
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate	757104.8125	700801.25	673521.5	837409.6875	524069.875	447893	679811.125	529477.25	394294.5313	190601.0938	134741.5	113144.7109	149295.7969	131509.5938	95538.78125	175367.2188	195005.0938	165662.8125
Glycochenodeoxycholate	238032.6875	240874.25	226710.7188	323670.125	284359.9375	294848.7813	318355.0625	292677.125	304254.5938	243959.3906	174373.2344	233963.2188	266258.625	239838.9688	256000.375	270306.4688	257444.7813	291568.2813
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid	44154.49219	40013.52734	32564.66992	49945.83203	52383.20313	42148.95313	575351.375	512927.0938	581254.4375	427055.4688	445184.3438	316923.6563	436204.6875	274764.6875	354258.6875	408240.375	569688.25	430264.0313
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadienoic acid	306380.5313	416090.875	334717.375	450664.7813	351276.0313	370059.2188	765357.4375	863209	895651.625	4648470	4185622.75	3765165.75	3415281.25	3185239.75	3055118.5	4705041.5	4215933	4364784.5
(9Z)-Hexadecenoic acid	1063595	1135620.625	1049399.375	2700450	2742401.25	2717031.75	1856098.875	1588373.375	1732009.75	3933787.75	4016316.5	4123651	2725932.5	2777470.25	2698157.5	3754444.75	3567446.5	3677283.5
N-Succinyl-L-glutamate	208793.25	128519.9688	115648.125	419266.3125	382752.375	351424.375	414307.5938	360717.7813	332559.375	50396.96094	47363.06641	32961.77734	46065.13672	74187.86719	51110.78906	100660.8672	96631.20313	93445.9375
Oxalosuccinate	14830.69141	16540.15234	8551.088867	18672.58984	19066.17383	21921.5957	23008.52539	21413.37891	15924.16406	235260.625	164189.5156	153502.0469	139083.6719	113222.4609	116367.6641	221418.3281	218304.3906	195961.0625
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate	1330687.625	1192219.625	1102326.125	1187591.625	943688.625	737028.1875	876931.625	912698.4375	645251.6875	429768.2188	289763.125	258314.8281	267280.375	246012.1563	217756.6094	349448.7188	407054.0313	344414.0313
5-Hydroxycotinine	98647.86719	184894.5938	147535.5469	88222.39844	205131.6406	257898.7656	160244.7656	191324.6563	169149.5781	60144.69141	172602.4844	78571.03906	73188.38281	99063.24219	97230.52344	86203.20313	105119.6328	102304.3359
N-Formyl-L-methionine	648913.875	537128.5	517660.875	762787.625	751101.4375	667729.75	509851.5	605991.875	651878.375	280155.2813	264750.9063	370055.8125	548579.6875	583535.0625	598164.5	732337.625	540261	593063.125
Octadecanoic acid	50043988	44762604	45096464	69074752	64585660	64376968	51529244	49287188	46235192	37636940	34155376	32674744	64598392	56914112	57205756	53310624	51024184	48551236
Docosahexaenoicacid	282602.8125	212127.7188	256000.6094	318640.0625	298457.625	459886.6563	102053.375	162152.9219	139063.4375	143763.0781	141590.7344	179004.5313	230740.7188	168630.1875	249145.125	121091.2188	208455.75	183737.4531
Docosanoic acid	194133.2813	156389.1719	160066.3906	0	186167.4688	99814.91406	171087.7031	138572.375	142485.7969	226118.4063	179344.0469	233842.8125	261985.7969	302651.0938	214859.1563	285152.3438	222251.125	240277.7031
L-Glutamate 5-semialdehyde_2	434952.5938	733070	495213.625	529288.8125	639492.375	538861.75	513335.7813	480057.9063	524534.1875	1025680.938	957934.4375	737594.3125	1828051.75	1430593.75	1387475.25	1389197.5	1117038.75	1448598.875
Orotate(Fragment)	189656.0938	286737.5625	347898.4375	203083.9531	215699.6563	305305	165577.7031	237270.5156	288832.9688	494430.5	483840.7188	570118.4375	362987.9688	458290.9688	536590	540846.5625	497795.0625	622962.875
4-Amino-4-deoxychorismate	417962.75	359758.5625	280073.3125	384664.25	340937.2188	333883.5938	458460.4063	389667.0313	363424.125	268173.2188	281097.7188	218934.625	318902.2813	250253.125	264981.1563	322860.1875	283395.25	226656.875
Icosatrienoic acid	61328.85547	69868.02344	66783.8125	151377.5156	101125.0781	124158.3438	115896.7109	159234.3125	221511.9844	278921.6563	167091.9844	162788.125	245895.2031	221680.7969	235016.9688	255433.3906	219293.2813	215135.1563
Phenylacetaldehyde	44766.61328	49936.73047	64696.97656	53855.54297	85218.07031	96297.16406	53240.52734	54390.98828	57633.25781	94963.55469	72521.42969	53926.46094	48222.85156	27686.35742	54387.80859	48685.52734	29758.95313	84572.82031
3-hydroxyacyl group of bacterial toxin	541802.125	727447.6875	634189.3125	199325.7188	192268.5	162658.0156	1111489.25	809390.875	941742.875	244940.7969	212026.5781	183939.375	255994.3906	189676.4375	199634.4531	332900.5625	476020.5313	313600.0938
5-Hydroxyisourate	111117.6328	87700.54688	58513.19141	81420.96094	74804.60938	47750.16016	210728.6875	154051.9375	152050.5625	154212.9219	116644.0078	87795.78906	112209.5469	104881.7969	82384.22656	154309.0469	128695.8594	107563.0781
(S)(+)-Allantoin	27008.14258	30693.61719	24539.09961	43237.20703	32741.18945	41781.07422	49971.78906	63543.57813	50978.36719	19958.66211	25385.75195	34301.84766	20414.86719	28932.01953	33883.27344	15217.9541	36844.85156	27675.57422
N-(L-Arginino)succinate	0	0	0	0	0	0	0	0	0	56837.24609	62558.36328	52909.49609	62118.375	77212.15625	54885.89844	74445.47656	55993.23438	59831.58594
10-oxogeranial	57928.56641	28409.18945	34007.57813	40721.98438	46892.26953	56577.82422	70016.50781	91054.92188	69448.10938	58736.05469	48218.18359	52227.30078	64698.78125	61708.52734	79426.99219	81005.05469	88389.03906	67755.53906
9-Oxononanoic acid	707092.125	731715.25	739586	490610.3125	433134.75	485874.3125	1349758.625	1202038.625	1219255.75	1247400.25	1107804.625	1107083.375	663063.6875	604861.5	677888.125	1125756.875	1012798.813	1236325.125
[FA] Methyl jasmonate	51667.47266	59086.10547	29145.23828	31499.98047	35344.89453	49915.48828	104690.7891	101599.9375	93828.28125	172816.1406	165155.5313	148343.4688	200987.8906	120986.6719	82009.21094	143976.6094	139102.125	160258.0938
Traumatic acid	202362.1094	152195.5313	169299.6563	111551.8359	60396.74609	99580.66406	441040.375	407584.625	358257.6875	597725.4375	667739.875	620339.6875	672543.75	588948.9375	535591.1875	870228.125	645605.4375	695871.375
CMP-N-acetylneuraminate	11107.12207	11179.64648	13736.04492	20519.05078	0	0	0	0	0	1467585	1552941.625	1220622.875	1705831.75	1418968.375	1410750.125	1704183.125	1485397.375	1329579.375
5-Hydroxyectoine	12111.24219	24860.95117	20120.42969	30165.69922	23767.12891	23349.51758	62891.71875	61461.75391	72210.60156	54157.92188	46454.48047	49652.28906	13788.93652	14433.61133	12863.07617	26739.97852	24777.0332	24099.39844
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	114537.2031	88154.65625	98073.14844	0	0	0	97570.90625	94902.38281	80592.57031	94070.90625	134531.5938	106142.4375	72865.35156	42676.39844	60216.28906	163184.2344	140940.1563	129191.8906
N-Formyl-L-aspartate	42831.83203	39913.20313	38587.66016	32769.00391	28724.44922	23248.14063	37393.14844	35936.55469	28478.07031	138883.8594	138477.75	118006.9297	143145.9219	143391.1563	121931.8125	208758.0313	187236.9063	192582.2031
Phosphodimethylethanolamine	35786.69531	27900.01172	28518.96484	0	0	0	35087.16016	0	0	490660.9063	580565.6875	443618.125	624974.9375	534277.9375	494041.9063	687413.25	622108.625	600381.875
Abscisic aldehyde	56477.60938	56807.12109	42897.54297	0	0	0	199983.8281	192365.0469	153131.9688	191146.0781	162217.375	140046.5156	92124.32813	51939.6875	51575.32813	146999.1406	129913	121027.2969
2-(Acetamidomethylene)succinate	36377.26172	40683.62109	39645.63281	39484.74609	0	0	108335.1484	67795.52344	60659.55078	234656.2813	216936.8594	184842.9844	205064.0781	183267.2031	153692.4219	236236.4531	210148.625	193927.3125
[FA (24:0)] 15Z-tetracosenoic acid	0	0	0	0	0	0	0	57386.12891	0	178986.3438	210431.4531	241697.7344	243546.9531	217028.2813	241734.5781	198860.25	222346.1406	182757.6563
CDP	0	0	0	0	0	0	0	0	0	79344.07031	74805.36719	88620.92969	103633.8438	111890.1719	124123.1563	87735.63281	89956.13281	102933.1406
L-Cysteine	0	0	0	0	0	0	0	5515.802246	0	0	0	0	0	0	0	0	0	0
4-Hydroxyphenylacetylglycine_2	0	0	0	0	0	0	0	0	0	201858.5313	157633.9219	166388.875	247454.375	238561.7344	224950.1406	220006.4844	207932.625	192028.5156
Pseudouridine_2	0	0	0	0	0	0	0	0	0	1095197.875	1292937.125	983962.8125	914599	1182508.625	838033.1875	1019209.063	1119425.875	782448.9375
N-Succinyl-L-glutamate_2	0	0	0	0	0	0	0	0	0	928020.1875	779831.9375	641901.8125	822210.1875	719603.9375	601419.9375	760407.875	745756.875	711257.1875
5-Phenyl-1,3-oxazinane-2,4-dione	937658	782684	819113	2906092	2554219	2527073	4899651	4903173	3926083	2688427	2029537	2317863	971459	910753	703196	1513653	1311357	1437616
Cyanuric acid	50693	38131	34459	419137	395375	394086	44932	42359	38380	50608	37635	37637	56169	75190	55398	50234	47062	40626
Salicylaldehyde	142292	114897	116239	149940	127687	153921	184972	127697	121063	131788	145026	128965	104288	136126	111782	112986	105333	109493
cis-1,2-Dihydro-3-ethylcatechol	42228.37109	47611.44141	30384.67383	27424.78906	23862.08203	14756.38574	77761.11719	76417.53906	64200.55859	93302.58594	90922.33594	83426.82031	64150.27734	56342.375	52337.74609	101825.2188	89246.39063	88362.14063
S-(Formylmethyl)glutathione	71041.69531	69017.22656	51718.52344	65988.60156	62577.88672	53162.15234	45657.70703	54734.82422	39398.73828	90540.38281	92052.28125	95558.55469	106300	117190.4531	84486.30469	103497.2188	104720.2734	89040.80469
N-Hydroxy-1-aminonaphthalene	57785.22656	61819.97266	50554.35938	30207.79883	32059.62109	25265.06055	219028.1563	231090.5156	215934.9688	0	317879	298658.9063	262614.875	251285.3594	230106.2969	247513.125	279800.3438	251287.3594
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	0	0	0	24664.81836	0	0	31699.42578	36268.73828	26832.72461	0	0	0	0	0	0	0	0	0
cis-3-Chloroacrylic acid	0	0	0	0	0	0	25032.34961	22696.625	35485.76172	0	0	0	0	0	0	0	0	0
Dichloroacetate	0	0	0	68521.63281	64353.25781	197413.0938	597749.625	585639	555279.1875	124516.4922	232747.5469	355060.25	0	0	0	0	0	59423.45703
hydroxypyruvaldehyde phosphate	0	0	0	0	0	0	0	0	24652	83488	74461	103526	99337	102460	91763	148548	166479	162050
Obliquine	113060	28682	145231	223651	160424	227418	146291	342088	115576	0	231519	189571	59804	163258	109195	190093	153139	43236
P-DPD	159911	157155	166036	321321	265584	267953	354185	278291	284995	352960	322639	297423	699356	741411	685218	804079	712928	776506
herbicide 14A	340175	95374	206100	264511	175059	369544	369281	197722	377088	203640	189757	208909	361630	198593	212244	193713	223966	163120
Met-Met-Pro-Tyr	43034	27816	0	64560	65903	22522	97015	90405	31711	54082	53392	16918	76634	60365	41783	123152	99308	43088
PS(P-18:0/17:2(9Z,12Z))	201845	156234	138541	129471	117691	131718	265017	211854	215055	266979	200439	189977	216704	229311	185647	241077	265332	203721
GMP-N-ε-(N-α-acetyl lysine methyl ester) 5-phosphoramidate	33402	33234	46459	43320	0	47521	217198	267415	293341	0	39613	37461	0	0	0	264035	243947	317458
PS(40:8)	300543	263154	324772	312594	285689	352264	204909	193622	185872	0	170163	0	196290	181478	179476	182512	169104	153103
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholine	64917	57241	73260	0	27330	49172	35620	38070	34152	359013	317157	304440	287561	189424	204086	277084	275265	310456
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid	59413	54246	85602	70437	69945	87389	113252	102161	77997	131909	125891	116288	105108	116416	86666	134777	116149	120611
Indoxylsulfate	346747	477680	362076	580126	603289	525881	348831	445813	496596	281597	258797	296779	451862	322923	374599	362491	304763	365482
L-Glycericacid	109436	216773	139028	146709	282682	216986	169955	303413	320767	88934	154646	159336	151030	234453	265574	138839	248952	271580
L-Ala-L-Glu_2	108640	74300	144834	204257	144994	123941	324874	187970	250902	119551	118818	233710	140059	120535	148471	138832	136560	167640
phosphinomethylmalate	351610	256218	261558	484521	440761	363826	480423	453352	385525	225814	152315	137018	399061	297645	266978	298312	297660	261724
LysoPE(0:0/20:2(11Z,14Z))	30004	23198	31096	0	28023	24427	0	0	0	622853	527336	450003	457640	359618	409643	495343	505212	472142
2-Butyne-1,4-diol	67013	68610	127974	109366	119323	132683	123649	129282	184769	173795	160348	189494	210934	190566	216307	216125	159409	248763
octulose 8-phosphate	331838	301143	308778	447218	398785	389966	520334	480672	461342	375879	355424	348652	710779	647897	620061	977307	925247	889065
Vinylacetylglycine_2	49822	63362	101726	116133	91529	203448	110278	99017	154336	68401	68980	98378	85703	89838	185137	66872	79151	86141
2,3,5-Trihydroxytoluene	28131	18000	24861	28517	31913	19758	181195	176871	135644	27527	38144	22955	34058	25038	25275	187034	67762	85377
Ala-Asp-Ser	133984	113695	104974	59541	79884	107129	80524	72226	55275	247883	236200	240372	294400	251727	247737	298696	298576	287746
3-dimethylsulfoniopropionaldehyde	639986	527104	483031	832383	852967	714104	0	12135	0	718758	652448	675770	756130	760852	660286	0	0	14619
PS(15:0/22:4(7Z,10Z,13Z,16Z))	209315	288152	163159	520374	294468	219648	316447	237229	210925	664606	668117	543683	585254	505832	544681	654563	638609	536857
Muramic acid_2	263559	204961	151865	806941	605485	478927	1402227	1169900	866036	671984	526400	389132	1287863	1058750	940441	1847854	1669790	1395399
Glucosyl sphingosine	333792	333913	356705	314150	355899	276953	336089	305197	294012	53133	58115	0	52048	89489	96137	44143	101588	50920
MG(0:0/24:1(15Z)/0:0)	343611	254887	249944	208813	225116	235414	271405	263611	200936	241643	225239	192477	230793	206015	226135	224940	235433	229816
Asp-Ser	36590	42618	38275	26487	23243	26149	28404	33537	25362	133078	112259	110428	103216	80211	128551	130711	94733	80251
Sedoheptulose	116795	102946	109484	128249	114318	111940	130115	128602	104334	0	0	17292	0	0	17760	20814	22358	20271
2-Dehydro-D-xylonate_2	56276	50974	48249	93148	60767	54684	91414	83192	77729	53219	41277	46299	48266	66417	69892	86675	81087	88507
Lys-Asp	30656	34644	40688	33892	25662	35311	24639	24741	37820	127353	157061	157684	136111	133916	126643	144012	134123	139757
PI(38:4)	2742053	2529538	2025021	2836415	3088581	2408145	2164620	1765700	1498473	5160649	3931191	3328242	4377585	3825548	3203213	4253299	3935561	3549505
alpha-(Methylenecyclopropyl)glycine	128042	202809	149483	231630	224195	226571	252958	305157	287878	201794	246784	235728	167962	233213	288751	248722	225058	281453
Hydroxymethylphosphonate	486525	517854	786028	818044	864590	1112729	1078001	1039896	1207395	1074145	1028640	1121616	844209	749159	1061720	1046676	908085	1258556
PA(36:4)	656269	583046	529697	832187	621751	705260	476894	404817	351742	290011	239578	204189	380398	309780	267298	274322	301708	312419
Benzofuran	1011181	1162143	941693	1308129	1288416	1272960	1358799	1356352	1572640	851903	730484	846321	898375	830327	896319	838596	755953	724448
indole-3-acetyl-valine	51231	42466	24004	57615	65768	57053	82650	76359	67753	19377	0	0	49218	31072	36684	27446	29192	33022
5-Hydroxypentanoate	192025	282184	656753	387521	434370	815297	383460	370036	658390	318533	278250	496059	380550	489368	626902	350589	246279	539234
PA(36:3)	698315	626416	478789	626703	577337	451632	361584	389765	301057	185512	186324	154172	213306	190884	172637	241181	243791	200977
6-Acetyl-D-glucose	17541	12038	11917	22430	46776	18429	87396	62694	60364	175326	136564	128949	175552	143390	142902	212503	188304	196075
3,4-Dihydroxypyridine	22688	20587	19075	24646	24737	22682	29442	28260	26239	1239458	1077333	1165123	1506736	1155575	1308239	1489914	1268042	1129025
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	2003959	2132075	2456153	2727596	2931839	2466156	2712999	3022773	3045089	1584547	1193448	1502995	1664836	1565743	1676442	1745744	1638917	1551819
N-Butyryl-L-homoserine lactone	303484.2813	269626.9688	315743.1563	313066.5625	361156.4063	331144.5	640393.875	855613.3125	791958.875	681161.1875	607412.1875	627462.25	583292.6875	496690.3125	485453.4688	528648.625	584976.8125	485069.9688
Clitidine 5-phosphate	51087.83984	44075.88672	47417.70703	92899.9375	78522.125	51583.16406	117760.8828	95378.52344	93485.16406	0	0	0	0	0	0	0	0	0
PG(P-16:0/15:1(9Z))	76793.30469	61167.13672	61120.50781	0	0	0	126345.8672	83392.07813	101786.0234	442132.75	374646.125	329305.7813	296984.375	361991.5938	266903.7813	404690.5625	396159.0625	371647.3125
Camoensine	251946.0313	267895.6875	215970.5	393721.375	375651.9688	390362.0938	430986.75	435542.0938	423214.6875	173761.9375	159849.375	150430.3906	261628.6406	222096.2969	236625.9375	224799.4531	224721.3438	262378.5
ADP ribose 1,2-phosphate	316431.7813	311375.5313	283653.8125	460485.1875	401380.3438	328889.625	411526.3125	380951.5	372956.4688	577022.25	465889.4688	478597.375	596228.8125	660513.375	568600.5625	589252	548412.5625	517545.2188
1,2-dioctanoyl-1,2,6-hexanetriol	1541572.25	1676000.5	1560584.875	1591620.125	1287845.5	1278505.25	1597833	1408384.25	1359458.875	1412402.5	1190768.625	1160539.5	1516753.625	1398250.375	1307233.75	1444746.375	1420833.375	1414797
Cholesterolsulfate	2709150.75	2509237	2088094	2699338.75	2450584	2348432.25	2339671.25	1934243.625	1616303.125	2477825.5	2322609.25	1867714.75	2576790.75	2422937.25	1998977.25	2406097.75	2338317	1987327.5
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_2	34643.11719	57197.90234	43190.29688	99476.39844	88067.64844	67966.64063	159105.1406	142813.4844	138817.875	72711.53125	67336.32813	53873.03125	88657.77344	83199.85156	78729.97656	164570.4375	140600.4375	156723.7344
melibionate	502376.9375	332926.25	301702.4688	494714.5	378169.7188	280832.9063	457841.875	304728.9375	350340.375	72963.22656	54497.47656	31691.88086	37147.87891	42166.26172	38542.80859	55780.46094	34131.98047	23185.86523
2-Butenoate	755434.75	600424.8125	586901.0625	918743.75	976926.5625	779480.75	2238007.75	2101041.5	2086531	714397.25	743938.5625	728147.8125	916509.75	858521.125	830611.6875	1941046.375	1540042.625	1668718.25
Ala-Asp	46328.24219	42633.79688	47157.57813	25568.79492	25122.10352	30631.27344	30861.42578	33699.49609	25928.98438	111235.1094	106072.6328	112600.0313	91217.67969	84723.41406	92067.48438	104872.1953	89723.27344	89839.10156
Phenol sulfate	192751.6094	201762.0781	150204.2813	224810.3125	206098.5156	193224.1094	290589.0938	213176.625	265091.6563	172552.125	142360.8594	143029.5625	211199.2969	184359.9688	173813.6094	196560.1094	189751.0313	181451.0781
Tetranor-PGE1	132920.4375	157877.0156	120519.3203	163368.0156	114397.3594	121311.3125	130027.8594	146009.4375	119543.7891	149564.5625	128121.6016	99780.94531	120695.1094	127893.9375	155664.9531	124829.9844	128115.8906	132200.1406
PI(38:5)	574087.625	446857.9688	381206.5938	565780.375	590787.625	480054.2813	371464.0313	396022.9063	306880.1563	483952.8125	469010.7813	390206.3125	478251.5625	455306.6875	472702.4688	478506.1875	481681.875	406150.5313
Galactinoldihydrate	302851.5938	271046.375	222550.0938	306602.3438	251557.4219	198098.1094	459981.75	351666.1563	316523.7188	0	0	0	0	0	0	0	0	0
6-Acetyl-D-glucose_2	229427.875	176306.9688	178458.3281	241659.4219	167523.5156	145268.3594	361271.5938	231447.1875	193387.1719	285568.8125	99021.54688	177987.9688	283568.5625	227929.0625	284429.5313	437488.3125	344786.9688	370443.3125
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate	359531.2188	373413.6875	488741.7813	641195.75	749858.8125	953165.125	611210.25	688460.9375	834002	545202	676308.75	726029.375	618742.625	810096.125	869924.5625	863764.25	853285.0625	1038141
Thiopental	48326.46094	50315.08984	41524.48047	85099.46875	64949.32031	62226.13672	191224.6719	127497.8438	138384.4063	0	0	0	0	0	0	0	0	0
Demethyltorosaflavone D	708657.125	581195.3125	635781.375	755237	714624.125	705848.625	635668.625	634348.625	703365.0625	508035.5313	300481.3125	346677.5	375727.375	352186.7813	388573.0313	352327.2188	345420.25	301428.7813
Glu-Thr-Thr	125520.1016	110405.3359	67710.39844	208766.8438	206498.1563	139699.7344	142238.625	162306.3281	120608.4688	0	0	0	0	0	0	0	0	0
PIPES	21703570	19787050	14130767	27304862	21535442	16979002	24633568	22370238	16910608	24894942	20585234	16190487	22779506	19620760	17018368	23607822	23218754	19541630
N-Acetyl-L-leucine_2	935745.0625	719292.0625	575536.0625	749264	799671.5625	682310.5	842284.0625	765045.9375	537705.8125	88493.22656	74839.5625	64963.12109	61375.38672	70768.89063	77374.91406	105940.1484	89258.30469	77052.51563
PI(36:4)	1007879.438	932583.875	745911.1875	1456452.875	920527.8125	868096.9375	937589.5625	743300.25	763684.6875	264215.625	0	0	425301	300354.5313	233591.875	272931.7813	219124.7344	0
Fagomine_2	620416.6875	486897.2813	379597.7188	513732.0625	489495.9688	433801.125	511538.9688	437592.0625	409082.2188	354413.7188	299517.75	248341.9844	357879.3438	295416.375	323148.6875	326895.2188	348182.5313	303687.2188
2-Octenedioicacid	144100.6875	124106.0625	133359.7656	140750.5156	196812.9844	144319.3438	161988.6875	205058.9375	156329.2656	151730.5938	133557.1094	147751.1875	60703.72656	116486.2891	139946.7344	122791.8281	127120.7109	127125.1172
Asp-Gln	37848.73828	32731.23242	39163.16406	37966.26563	40028.92188	37664.19141	84675	90494.25	90723.53906	133372.8281	99788.83594	109087.3672	91030.45313	79984.46094	82717.92969	123329.8125	103834.3125	91585.54688
2,7-Anhydro-alpha-N-acetylneuraminic acid	5911245.5	5692903.5	4185945.5	5560235.5	4802723	4059677	5635131.5	5073371.5	3925550.5	13922333	11876892	9616092	12858233	10671337	9813977	12973745	11741857	9938750
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosphocholine	327370.4063	295121.3438	371012.2813	263778	277815.25	280581.4688	307521.1563	291808.8125	349012.9375	82658.53125	101061.5391	86822.75781	148947.9844	161512.3906	199566.0469	145365.3281	130115.1719	133663.7031
Glycerophosphoglycerol	182604.8281	186660.6094	832769.9375	246662.2344	220942.8438	888246.8125	261888.75	255417.7656	669907.0625	1065521.125	1025468.688	1088876.375	1180293.375	976227.9375	1151633.5	1267987	1219413.375	1189597.125
nocardicin G	90986.00781	121333.5547	103645.1484	65366.54297	84222.01563	90523.84375	66458.92969	68687.8125	90292.69531	0	0	0	0	0	0	18283.79492	19310.5293	42380.29688
Gentisyl alcohol	79972.71094	90629.14844	63471.77344	93653.75	56061.00781	49835.97656	89149.98438	82390.16406	110477.7813	111503.6719	96448.96875	76568.60156	94442.48438	68012.29688	65699.05469	101874.2109	108485.5391	69949.38281
sn-glycero-3-Phospho-1-inositol	32627.40039	29766.05859	35796.875	30303.75	28666.47461	21940.39648	32394.89648	24047.08008	32158.45117	348356.1563	270217.9375	319371	266119.4688	304115.4063	276333.25	293663.6563	338762.6875	320139.9063
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate	205984.7344	176419.5938	181410.3906	334704.5313	312983.375	258726.9688	346350.625	282649.1563	327162.5938	180536.6094	180809.7031	165202.6719	215870.2188	198711.7188	225504.7656	258318.75	190479.6563	308409.125
7E,9E,11-Dodecatrienyl acetate	921942.5625	1001551.438	1289689.25	661281.5625	816017.25	759212.875	901060.8125	846105.125	786633.5625	700464.8125	789215.4375	778743.3125	711464.375	648688.25	695086.875	630578.875	568031.0625	664970.625
(1S,2R,4S)-(-)-Bornyl acetate	260443.9844	235459.3906	238067.6875	352496.3438	326969.4063	323708.9375	441523.3125	394588.4375	463371.3125	676177.0625	586512.9375	613917.25	824199	742208.1875	770314.125	760246.1875	712991.4375	732930.3125
[FA (14:2)] 5,8-tetradecadienoic acid	0	0	29539.00977	67699.08594	161238.1719	109584.4766	41411.33594	43655.80469	23748.59961	90432.72656	100659.6094	87657.60938	36538.13672	52990.70313	30516.51367	45819.71484	50746.82422	32770.54297
N-Butyryl-L-homoserine lactone_2	116450.3672	106665.3359	109647.5625	102054.3359	86651.11719	115118.7734	283796.9375	218364.8281	275565.3125	161097.3281	185629.2656	220768.9844	194753.3906	181656.9219	170968.7656	208886.7656	179398.4688	209010.7344
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine	140413.4688	93336.45313	93576.28906	56968.03906	33193.93359	42038.14453	105563.3594	114546.5313	79095.64844	69356.30469	74456.05469	62187.08594	95591.97656	0	71040.09375	116577.5313	133776.5156	96628.74219
N-Glycolyl-D-glucosamine	37239.10156	41667.72266	37694.17578	72324.77344	67323.63281	77455	125518.2656	143309.7031	133780.4688	412942.9688	429108.875	436753.1875	497360.0313	526449.0625	502959.2813	945065.3125	1006737	992998.3125
PA(36:1)	571902.625	438973.3125	366994.5	381901.5625	410906.125	218079.6875	392175.5625	320057.3438	256851.7188	0	0	0	0	0	0	0	0	0
Ethyl 3-oxohexanoate	140112.2344	130444.7422	229363.1094	199594.9375	141412.0313	221361.1719	173053.6719	276200.1875	288206.7188	115453.4219	255522.5625	216269.6094	111389.4297	244223.5781	175742.7031	238747.1875	248881.1875	314140.6875
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro-	113091.5156	117605.8828	134677.4531	220143.5	240484.6875	244034	263029.0313	241190.8906	323576.9688	0	0	0	0	0	0	0	0	0
Thr-Ala-Ala	26968.60938	21535.73047	34842.80859	33903.40625	28552.36133	32323.88867	27973.51953	34811.65625	28751.00781	108700.4766	119530.2109	124957.7031	119525.8203	114867.0703	102695.4766	116352.8594	115494.3281	132937.75
N-Undecanoylglycine_2	328176.6875	358758.7813	323566.1563	231964.0469	298231	271931.1875	263354.3438	278442.5625	333768.9375	256839.8906	279033.25	275990.9375	327664.875	268990.875	329310.5313	305864.7188	343254.0313	304206.4375
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	207455.7969	229867.1094	240263.375	211473.3594	203871.0938	240843.0781	242443.3125	233001.0156	253213.6094	0	35620.59375	83810.21875	106563.5938	72509.75781	115241.8359	58056.47656	87506.76563	93672
Asn-Asp-Gly	28266.56836	32345.11719	29225.49609	24984.88086	21633.125	23413.22852	34214.41016	15108.52148	15341.18652	214277.125	256332.5313	246063.1563	233031.5469	212671.5938	179208.9375	220298.3594	267911.5625	274457.6563
8-keto-7-aminoperlagonate	908842.875	704771.0625	725939.6875	890724.0625	773350.625	992254.5625	2601233.5	2051017.75	1935710.875	2030368.625	1730715	1800330.875	1639553.75	1705388.75	1575650	1900266.25	1990162.875	1767780.75
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	140744	148466.9844	117871.9297	99773.09375	103809.9766	111192.8828	157150.5938	168003.0156	191041.0781	215093.4063	212194.7344	175185	150527.4219	139773.7188	127218.4063	182218.8125	170870.6094	178102.2344
10-Hydroxydecanoic acid	139071.3281	188437.1094	196793.5	121016.5938	127328.8281	163812.5469	191197.6563	174274.5313	207951.3438	297914.1875	285028.5625	408817.25	214304.5469	196663.3906	235603.4219	282440.7813	314282.9688	341835.5313
Botrydial	794030.125	716644	708588.3125	732898.5	709785.4375	758390.8125	640253.5625	593167.75	540049.9375	585989.375	565716.125	560256	616758.875	687841.9375	566251.8125	650241.8125	696754.25	622170.875
dihomocitrate	6136.465332	5448.181641	0	6138.416504	8290.232422	5550.522949	5766.650391	7963.695801	9341.515625	114035.6953	107938.4141	131354.3438	103829.0391	102691.6875	114235.3047	109348.1563	105021.3281	120919.0547
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3-phosphocholine	93373.60938	79885.57031	68026.28906	0	18088.21875	0	128826.4766	125404.1641	166005.7188	1155775	1005070.688	901419.25	987119.5	845039.75	684532.75	1079655.75	1092727.875	912506.5625
omega-Cyclohexylundecanoic acid	658966.6875	553592.9375	650239.5625	557240.0625	609212.375	538501.6875	1085604	1082594.875	1003695.25	2123767.75	2066450.5	2225887.75	1447698.875	1457615.125	1554716.625	2534837.5	2135752.75	2253753.75
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	58159.70313	64732.17969	60203.15625	153948.6875	143072.7969	130263.5	214133.2813	151361.5781	144796.6406	98146.19531	99233.375	84813.04688	81152.36719	77266.71094	85438.35156	106040.1719	64119.88672	84515.07031
N-hydroxyisoleucine	15126.73535	26192.87695	43157.90234	18437.89063	20185.08203	24046.19922	24281.74414	29439.13086	38443.35938	185701.8906	159972.9219	172291.375	195664.3125	157077.9531	168463.0938	153286.3906	132348.7813	184013.9844
[PR] 9-Hydroxy-helminthosporol	98516.78125	70235.03125	84295.22656	58054.92969	61235.67188	43387.72656	125051.25	135324.5469	134304.9219	353869.4063	271685.5938	211027.4063	241942.375	206548.0781	245100.6875	292895.875	266730.4688	244175.8906
Ala-Ser-His	74008.52344	56077.53516	55549.51953	81306.9375	45653.5625	34428.05078	137067.5469	126279.2422	101540.0078	131785.3125	129741.4453	116477.1094	165439.7031	139348.9688	154400.5781	299400.8438	237976.1875	230260.1719
Ala-Asn-Asp	44425.06641	36785.3125	29577.14648	62076.875	23668.61914	41531.42969	30823.38281	26686.92773	31207.19922	131173.5469	132092.8125	120773.375	112439.5234	115685.9922	108565.5391	132280.1563	126188.2656	124906.2656
Cer(d18:2/16:0)	0	31749.73047	68206.46875	46574.90234	31600.28711	0	41272.41016	65937.85156	0	464096.0625	370866.4375	293222.8438	482837.3438	519467.8438	314567.9375	494783.2188	409392.4063	459619.6875
[FA methyl(14:0)] 12-methyl-tetradecanoic acid	2196890	2068281.5	2161206.25	2297147.25	2414967.5	2273834.25	2725329.5	2608446	2350194	3401686.75	3368253.5	3451405.5	2610159.25	2809089	2789969	3665443.5	3663777.75	3659928
(9Z)-Tetradecenoic acid	185914.3438	194098.4531	155274.3281	367800.375	374846.3438	415236.75	319923.75	251227.5781	290482.2188	404501.5	320579.2188	287699.3438	233250.2344	210018.4063	194479.2031	345062.6875	345343.9375	342874.8125
Cyclohexane-1,3-dione	42914.71875	68952.875	41487.07422	25962.46289	34787.14453	42128.27734	80523.64844	83092.90625	71986.82031	106510.4375	85020.53906	110258.4453	100926.4844	118720.5859	97354.75781	143014.375	167320.8906	110620.2266
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	117209.6953	123806.0859	112272.9766	162818.0469	166756.0781	179136.1563	103002.2266	111215.2422	113851.875	397673.3125	548738.125	427774.8438	392878.0313	281702.5625	279272.25	415955.9688	478282.5625	496583.9063
[FA oxo(16:0)] 3-oxo-hexadecanoic acid	656564.9375	495562.8438	528516.6875	377633.2188	374746.2188	426160.8438	892453.5625	934893.5	953360.9375	3720125.5	3406790.75	3746786	3134081.75	2830001.75	2975659	3588448.75	3532960	3755978.25
Ethyl (R)-3-hydroxyhexanoate	149329.125	112422.5703	124406.6875	106787.2813	104017.125	117417.7031	229300.6406	226404.9844	245155.375	249843.6875	217079.2969	236131.2188	190028.5313	158186.8594	184240.5156	147923.9688	183962.5938	215883.7188
[FA (8:1)] 2Z-octenoic acid	220777.5625	193757.9531	194465.5469	123943.6875	115895.9297	176790.9531	592584.75	499804.4375	534681.875	634581.5625	537327	598642.375	446001.0313	471457.8125	484417.3125	515478.7813	666016.375	607036.5
Glutarylglycine	19757.35352	28472.25781	16832.18164	0	12766.11719	0	18121.05469	0	20273.88867	263319.125	230268.125	210326.6563	231541.6406	197965.6094	232562.3594	230718.1094	244367.5	231067.5
16-hydroxypalmitate	443348.4688	393263.125	387654.3438	321139.5	380204.625	266084.7188	740463.375	687629.5	689172.25	1163034.375	923667.8125	952423.625	877024.5625	877663.375	803788.125	1087797.5	1016288.688	1011500.063
PS(13:0/12:0)	160442.9688	124787.4922	179491.7031	54045.48438	0	0	309839.2813	304543.0938	261043.9688	295480.625	209109.3281	273060.7188	204054.3125	166845.4375	165988.3438	279809.25	321482.9375	289346.0313
Brassicanal A	215085.7344	199080.1094	180615.3594	118360.9453	125747.4141	116916.9453	1710677.875	1435221.875	1563692.75	511321	658920	525001.3125	512396	432491.9688	420632.6875	711668.875	580425.6875	654134.8125
N-hexanoyl-D,L-homoserine lactone	26780.47266	22907.71875	28808.59961	25371.40039	22700.66797	23691.60547	178659.9531	158524.2813	130788.8047	239239.5	198436.3125	187651.2344	206634.4219	190259.5781	168542.6563	223964.9219	226232.8594	262689.5313
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid	418280.0938	370947.9375	375805.125	406541.1563	389907.5	383780.625	630737.3125	561106.375	518914.7188	928408.8125	984114.8125	816843.625	956696.3125	672330	741963.8125	963659.3125	1035607.625	916644.6875
Stealthin C	624240.625	594005.625	728640.5	441125.75	304324.8438	376279.9063	993611	1067181.625	1087748.125	2021197.5	2417959	2616233	1979712.875	1946723.5	1905147	2346388.5	2325428.75	2536563.75
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl)-cyclopentanebutanoic acid	82086.17969	131438.4063	51876.58594	36547.55859	18934.48242	18069.72266	104404.0547	145147.5938	110672.4297	139021.3281	96019.70313	105587.2188	67851.40625	57182.83984	73295.71875	158105.2656	134142.2188	148202.0469
[FA oxo(7:0)] 2-oxo-heptanoic acid	474283.375	486823.875	511635.375	207281.0156	236408.5469	261501.2344	1534826.375	1894971.625	2092159.25	1187664	1363356.25	1539448.125	810648.0625	964406.5	997331.6875	1342884.375	1464804.25	1618457.625
Xylobiose	0	0	0	0	0	0	203918.125	244362.6094	90904.54688	0	0	0	0	0	0	162773.625	92105.14844	83988.64844
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	456340	438007	454745.6875	257059.6719	248365.6719	329889.125	1047907.25	844120.1875	902640.4375	1016745.188	767519.25	928899.5625	608290.9375	556153.8125	557502.125	730200.3125	972447.6875	857186.9375
Glu-Ser	0	21065.49023	43707.75	0	52103.04297	54853.73438	0	0	55380.78906	677878.75	619637.625	600543.5625	556353.375	465039.7188	450078.2188	534648.6875	441585.125	481217.75
(+/-)-6-Hydroxy-3-oxo-alpha-ionone	31136.89258	61256.39844	32163.95508	16772.50977	0	19915.03516	107283.8281	81845.75	82528.71094	86265.57031	91411.25	89828.13281	53261.78125	58332.38281	60642.97656	98059.57031	75361.84375	82394.96094
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	95254.16406	76297.21094	61995.91406	67490.10156	58886.27734	42821.1875	171864.0625	108453.2188	105992.2031	92756.5	88917.04688	84275.84375	109582.1172	64849.33984	67107.39063	104453.7969	99908.32031	155759.9844
3-Hydroxydodecanedioicacid	291491.3438	242362.75	224040.3438	66492.47656	123339.2734	83218.03125	395993.9688	321404.0938	325973.4688	395235.8125	433446.0625	454609.3125	271886.9375	277291.0938	185066.1406	468469.75	430771.7188	359295.3125
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoserine	344327.7813	306967.3438	260530.8438	54966.76953	66230.25781	59122.71875	345063.6875	417789.375	282157.9375	339183.0938	344843.1875	288563.4063	218851.5	194529.4844	225565.4844	378050.5	397955.375	352851.6563
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol	0	0	0	59614.96484	0	0	78809.4375	73654.22656	58426.58203	0	48051.21094	65755.125	69223.33594	58930.5625	56854.54688	0	0	65683.34375
10-Oxodecanoate	85362.08594	100031.5234	87475.76563	92611.72656	94367.03125	102383.8047	187425.5938	105688.9453	181166.9063	268234.5	271043.2188	272480.125	197810.4063	157428.25	163144.6875	342631.5938	284487.5	278890.1875
[FA (10:1/2:0)] 2E-Decenedioic acid	188032.2188	244887.9375	163116.4531	108743.5313	103691.2656	99062.14844	303729.875	282633.5625	268621.5625	270898.625	259342.75	290092.25	163307.125	154032.5156	160002.9375	284048.9063	314421.5313	225158.0938
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	87958.46875	115543.9766	101462.9531	32291.89844	52941.11719	32797.4375	354660.5625	372548.125	373914.75	620739.1875	435297.6875	438066.0625	498658.9688	399542.1563	435185.875	484920.7188	404265.4063	379530.375
Neuraminic acid	424431.3125	412249.4063	437653.4063	663292.25	443681.9375	324985.4375	1235665.5	1001054.813	744349.375	1047996.188	1157458.875	929984.9375	1089770.25	930435.625	612933.125	2540902.25	2640993	2406893.5
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine	118223.8516	134864.7344	155260.7188	0	0	0	416523.4375	280629.125	248809.375	527166.375	344311.875	372504.9375	387759.625	301606.9688	290775.8125	340072.2813	431931.6563	390068.7813
Dodecanedioic acid	151818	143469.9688	132114	70461.45313	73271.00781	57588.78125	233389.3594	158339.2813	161855.1563	308641.4688	220415.9063	318917.8125	198107.3438	146347.3906	120526.5234	386741.0313	283113.8125	286259.6875
n-Acetylasparagine	40627.76563	71832.41406	38434.26172	0	20297.31445	0	19586.2793	32774.02734	18719.10156	67320.57813	58272.46484	50318.52734	95522.39844	89708.52344	85139.625	160481.9063	132760.375	122846.9766
Aspidinol	31376.91797	28311.72852	27551.50781	0	0	0	192254.6875	167997.0469	131362.4688	67236.95313	101112.1016	66847.71094	55890.97656	94857.17188	89923.85156	120101.6953	82845.75781	96305.67969
N-oleoyl threonine	0	0	0	0	0	0	126799.8359	95122.82813	122028.6172	497829.9375	323013.875	250105.5781	427680.4063	324771.0313	305836.0625	440579.6563	394457.375	446493.1563
3-(ADP)-glycerate	0	0	13386.93945	0	0	22548.01367	0	0	24730.75195	124040.0234	94342.25	99890.33594	138996.8594	134776.9375	141896.3438	137947.3594	128118.8281	126544.1016
Asp-Gly-Tyr	0	0	0	0	0	0	0	0	0	93631.29688	98668.78906	94768.25	90308.08594	112894.6875	95479.01563	82169.73438	96153.96094	117174.6094
Leu-Ala-Asp	0	0	0	0	0	0	0	0	0	145768.1094	133726.8125	147543.4688	154643.6875	172378.1875	157151.4375	123253.7813	105111.6719	124028.8828
Asn-Asp-Asp-Pro	0	0	0	0	0	0	0	0	0	445333.8438	452398.5313	290802.125	517915.5	324841.125	338350.6563	478952	518484.0938	372702.2188
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2,4,6-trimethoxy-beta-hydroxychalcone	0	0	0	0	0	102594.9688	182505.6563	230665.3594	234137.0625	210677.75	143884.3438	0	0	0	0	0	0	0
Hymexazol O-glucoside	0	0	0	0	0	0	0	0	0	2244337	1711886.125	1440130.5	2028657.625	1748427.125	1749370.5	2239195.75	1849285.125	1751018.125
4-Nitrophenyl-3-ketovalidamine	0	0	0	0	0	0	0	0	0	228291.1875	143064.5	123708.8906	179872.375	164775.0781	124603.9609	126493.2656	160111.0156	137936.3906
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate	0	0	0	0	0	0	0	0	0	103513.6406	106002.9453	54631.25781	98944.91406	77647.82813	56869.69141	152138.2031	131945.4219	119131.4297
Asp-Gly-Ser	25597.71484	0	34440.39063	0	0	0	0	0	0	123456.7813	108813.8125	103065.1094	183288	113180.2031	65693.07031	180136.0781	109142.4766	110239.3359
N-Acetylgalactosaminate	0	0	0	0	0	0	0	0	0	704535.5	635559.6875	567143.0625	697531.25	583111.3125	501815.9688	614707.6875	577506.75	499959.9688
(-)-jasmonoyl-L-valine	0	0	0	0	0	0	69496.875	111103.6641	124932.7188	210751.9375	193162.9063	175917.5625	205347.6875	190550.2344	181645.5781	211863.7969	256396.5469	254943.0313
PG(40:8)	0	0	0	0	0	0	0	0	0	114069.5391	94541.85156	82526.46094	114757.1094	100830.1016	64902.55469	96193.23438	89898.92969	78878.82813
sinapoyltyramine	0	0	0	0	0	0	0	0	0	138877.8281	141694.125	134187.4531	158897.1563	157481.125	156661.2656	141738.2031	127000.8906	124112.9297
Val-Asp-Ser	0	0	0	0	0	0	0	0	0	130624.4453	133654.625	102464.0156	165686.4219	156956.8281	106063.3047	134100.8125	125645.7266	150165.6875
Met-Ala	0	0	0	0	0	0	0	0	145065.8281	0	0	0	0	0	0	0	0	0
nonulose 9-phosphate_2	155731.6719	0	0	0	0	0	0	0	0	1095035.125	1048553.813	760642.5625	1019367.813	651828.1875	507692.125	675146	759786.3125	578986.75

metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
2,3-Bisphospho-D-glycerate	18.11897433	265.9593375		C01159
Sucrose	14.88135403	342.1162981		C00089
D-Fructose 1,6-bisphosphate	17.76309756	339.9961638		C00354
3-Phospho-D-glycerate	16.71888783	185.9929442		C00197
Phosphoenolpyruvate	17.37242829	167.9824018		C00074
UDP-glucose	16.09285482	566.0552794		C00029
Benzoate	7.409190517	122.0368048		C00180
Citrate	17.89231851	192.0269849		C00158
Pyruvate	7.98386139	88.01601649		C00022
6-Phospho-D-gluconate	17.4771367	276.0247564		C00345
D-Ribose 5-phosphate	15.22520022	230.0190688		C00117
GDP-mannose	17.93791257	605.0772289		C00096
myo-Inositol	16.96899956	180.0634329		C00137
Glutathione	13.92350954	307.083759		C00051
D-Glucose	14.73953274	180.0633782		C00221
D-Fructose	12.848369	180.0634006		C00095
Phenylpyruvate	4.703501287	164.0473605		C00166
L-Aspartate	14.6433192	133.0375169		C00049
Decanoic acid	4.0660057	172.1463673		C01571
Oxalate	17.49527225	89.99532081		C00209
(R,R)-Tartaric acid	16.94552132	150.0165416		C00898
Taurine	14.92027376	125.014676		C00245
Fumarate	14.7608308	116.0109621		C00122
Phenylacetylglycine	4.824708422	193.0739121		C05598
D-Sorbitol	13.92128727	182.0790087		C00794
2-Oxoglutarate	15.35135908	146.0215762		C00026
Hexadecanoic acid	3.793375738	256.240079		C00249
sn-Glycerol 3-phosphate	14.68884753	172.0136546		C00093
UDP-N-acetyl-D-glucosamine	14.81721634	607.0817403		C00043
Tetradecanoic acid	3.845682699	228.208977		C06424
D-Gluconic acid	13.48671778	196.0582734		C00257
(S)-Malate	15.82442084	134.0215701		C00149
[FA (8:0)] octanoic acid	4.349274454	144.115039		C06423
FAD	11.19496882	785.1575392		C00016
Phthalate	13.61907826	166.0266163		C01606
Orotidine	12.20845877	288.0593772		0
Hexanoic acid	4.76947787	116.0837533		C01585
5beta-Cyprinolsulfate	3.936684844	266.1535109		C05468
Urate	12.49947702	168.028234		C00366
3-Phospho-D-glyceroyl phosphate	15.6639721	265.9592708		C00236
Glycerol	10.29867783	92.04736412		C00116
[PR] Tretinoin/All-Trans Retinoic Acid	3.947329993	300.2090037		C00777
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	12.3391338	136.037264		C01620
4-(2-Aminophenyl)-2,4-dioxobutanoate	7.413209974	207.0532012		C01252
4-Methylpentanal	4.194767726	100.088821		C02373
3-Sulfino-L-alanine	14.22200791	153.0095235		C00606
3,6,8-Trimethylallantoin	13.05630054	200.0908691		C16362
dATP	15.43068074	491.0012268		C00131
(S)-1-Pyrroline-5-carboxylate	14.89706852	113.0477186		C03912
Pseudouridine	14.06601379	244.0699111		C02067
4-Hydroxyphenylacetylglycine	7.339533604	209.0688848		C05596
Gentisate aldehyde	4.785461819	138.0316947		C05585
2-Formaminobenzoylacetate	4.982896075	207.0532919		C05835
D-Sedoheptulose 7-phosphate	15.9315475	290.0404141		C05382
N-Acetylneuraminate	13.18239482	309.1061496		C00270
D-Glycerate	11.7669498	106.0266164		C00258
D-Proline	24.17565184	115.0633645		C00763
2-Oxoglutaramate	7.546246523	145.0375648		C00940
5-Acetamidopentanoate	7.411103012	159.0895649		C03087
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine	3.868568277	767.5461398		C00350
Acetyl-CoA	12.07006829	404.5630269		C00024
L-Histidinol phosphate	13.93597565	221.0564529		C01100
(S)-2-Aceto-2-hydroxybutanoate	13.46846267	146.05792		C06006
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine	3.641858742	835.5363073		C02737
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc acid	10.71272044	190.0478014		C06201
Sulfoacetaldehyde	11.10332448	123.9830899		C00593
(R)-2,3-Dihydroxy-3-methylbutanoate	8.689525193	134.0579477		C04272
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	14.19925421	145.0739197		C03656
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic acid	4.067060256	316.2043142		C14717
L-Aspartate 4-semialdehyde	13.11912641	117.0426358		C00441
Butanoic acid	7.415586724	88.05244151		C00246
(3R)-beta-Leucine	13.89791157	131.0946414		C02486
UMP	14.79920986	324.035907		C00105
2-Hydroxybutane-1,2,4-tricarboxylate	16.97978351	206.0427117		C01251
ADP	14.80991224	427.0295015		C00008
[FA (18:1)] 9Z-octadecenoic acid	3.758274481	282.2559796		C00712
(R)-3-Hydroxybutanoate	7.858494928	104.0473575		C01089
N-Acetyl-D-glucosamine	12.11731747	221.0898582		C00140
Indole-3-acetaldehyde	4.480790933	159.0683141		C00637
UDP-glucuronate	18.86859564	580.0345633		C00167
2-Hydroxyethanesulfonate	10.6700773	125.9987301		C05123
alpha-D-Glucosamine 1-phosphate	15.15128039	259.0456995		C06156
Indole-5,6-quinone	5.448583579	147.0320192		C05579
XTP	14.19770925	261.9874408		C00700
GMP	16.39856762	363.0582621		C00144
L-Rhamnose	11.86754222	164.0685693		C00507
GDP-L-fucose	17.31727051	589.0825365		C00325
(S)-3-Methyl-2-oxopentanoic acid	4.74791225	130.0630586		C00671
S-Sulfo-L-cysteine	16.62635218	200.9766602		C05824
alpha-D-Glucose	22.84381013	180.0634495		C00267
5-Dehydro-4-deoxy-D-glucarate	15.10560376	192.0272807		C00679
O-Acetyl-L-homoserine	11.05096295	161.0688595		C01077
L-Dehydroascorbate	17.66942185	174.0164359		C05422
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-octadecenoic acid	4.395887348	330.2406842		C14833
D-Mannose 6-phosphate	14.84969202	260.0296347		C00275
D-Glucarate	16.78227863	210.037665		C00818
Progesterone	3.900373339	314.2248804		C00410
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic acid	3.865259494	312.2299422		C14827
(R)-S-Lactoylglutathione	15.79451421	379.1051006		C03451
D-Xylonolactone	14.82876622	148.0371954		C02266
(S)-Lactate	9.40721536	90.03168923		C00186
[FA (18:2)] 9Z,11E-octadecadienoic acid	7.322869429	280.2402743		C04056
Quinate	12.68717832	192.0635491		C00296
3-(4-Hydroxyphenyl)pyruvate	7.681496925	180.0422809		C01179
alpha-D-Glucosamine 1-phosphate_2	11.9882061	259.0460404		C06156
beta-D-Glucose	26.42916025	180.0634335		C00221
Ascorbate	15.01768904	176.0320752		C00072
D-Mannose	25.31756766	180.063436		C00159
Homogentisate	10.73849396	168.0423249		C00544
D-Galacturonate	14.35672201	194.0426203		C00333
Hydantoin-5-propionate	15.15116342	172.0484599		C05565
5-Acetamidopentanoate_2	11.91618977	159.0894825		C03087
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid_2	12.62464727	145.0739104		C03656
2(alpha-D-Mannosyl)-D-glycerate	14.21388718	268.0794829		C11544
3-Phosphonopyruvate	15.88967402	167.9824025		C02798
Phenol	5.942886533	94.04183207		C00146
Tetracosanoic acid	3.675131554	368.3655677		C08320
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	3.721345899	332.2718919		C16527
[FA (20:0)] eicosanoic acid	3.721054209	312.3031347		C06425
3-Sulfolactate	17.32563292	169.9885979		C16069
Abscisic acid glucose ester	4.359858031	212.1048754		C15970
homovanillate	8.789861889	182.0579432		C05582
Succinate	14.86984997	118.0266573		C00042
N2-Acetyl-L-aminoadipate	12.10004427	203.0796094		C12986
Mesaconate	11.42034136	130.026651		C01732
D-Galactose	24.226259	180.0634341		C00124
3-Dehydroquinate	14.07820021	190.0477377		C00944
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	14.66635927	229.0584874		C04796
L-Noradrenaline	13.73143817	169.0738693		C00547
D-Alanyl-D-alanine	11.11332472	160.0847775		C00993
2-Dehydro-3-deoxy-D-gluconate	12.10267619	178.0477395		C00204
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	3.952326394	434.3398432		C01301
N-Acetylmuramate	11.59819559	293.111175		C02713
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid	4.041198109	212.1413459		C16309
L-Cysteate	15.32979469	169.0045588		C00506
Hydroxypyruvate	15.46160171	104.0109567		C00168
2-Oxosuccinamate	8.813233576	131.0218744		C02362
LysoPC(20:3(5Z,8Z,11Z))	3.824425607	545.3478827		C04230
[FA (22:0)] 13Z-docosenoic acid	3.70960738	338.3185142		C08316
Iminoaspartate	9.968733317	131.0218		C05840
Melibiitol	13.85658205	344.1320172		C05399
3,4-Dihydroxymandelaldehyde	15.01326346	168.0424429		C05577
5,6-Dihydroxyindole-2-carboxylate	7.413560862	193.037604		C04185
Asn-Gly	12.85239063	189.0748834		0
Sulmazole	7.811060044	287.0724178		C13749
[FA (14:0/2:0)] Tetradecanedioic acid	4.13338501	258.1832173		C11002
N-Acetyl-L-leucine	7.408579872	173.1052488		C02710
2-(sulfomethyl)thiazolidine-4-carboxylate	15.97342187	226.9922581		0
uridine-5-diphosphate bromoacetol	18.02171848	268.9693709		0
Cantleyine	4.799109813	207.0895476		C09933
Glu-Cys-Cys	11.49791357	353.0716712		0
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose	10.16924776	265.0351115		C06618
Flaccidin B	4.829686674	748.4410319		C08943
Capryloylglycine	7.379727018	201.1365215		0
L-Cysteinylglycinedisulfide	15.01268457	297.0454443		0
Farnesoic acid	3.887055908	236.1777397		C16502
12-Hydroxydodecanoic acid	4.298216045	216.1724706		C08317
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate	4.105440636	458.2434842		0
2-oxosuberate	14.88635245	188.0684537		C16589
perchlorate	6.090334822	99.95631334		0
ethanedisulfonate	10.42713503	94.98025232		D07330
HEPES	10.5281793	238.098515		0
L-Erythrulose	10.43609054	120.0422246		C02045
2-Ethylhexyl phthalate	3.854516238	278.1517827		C03343
L-Hypoglycin	12.77879533	141.0790444		C08287
N-Acetyl-D-glucosamine 1,6-bisphosphate	16.596247	381.0227469		C04461
Sulcatone	4.126535437	126.1044836		C07287
Met-Gly-Arg	13.18192103	181.0868891		0
PS(19:1(9Z)/22:2(13Z,16Z))	3.933960944	855.6006003		0
CAI-1	3.893814148	214.1932122		C16640
5-Deoxy-5-aminoshikimic acid	19.65427213	173.0688497		C12121
[FA (11:0)] undecanoic acid	3.996659899	186.1619586		0
N-Glycosyl-L-asparagine	14.11931237	294.1064117		C03411
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	4.09324754	545.2753686		0
Arecoline	4.721362009	155.0947428		C10129
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol	4.063748093	314.3186502		0
Norepinephrinesulfate	18.67989163	249.0307246		0
Vinylacetylglycine	14.38470588	143.05821		0
3,4-dihydroxybenzylamine	7.424162462	139.0633584		0
Apiole	4.229775747	222.0893395		C10429
sodium dodecyl sulfate	3.655797892	266.1551239		0
Otonecine	7.409791374	185.1051789		C10356
Ala-Asp-Asp	16.76408036	319.1017114		0
[FA (13:0/2:0)] Tridecanedioic acid	4.808469626	244.1674961		0
3-sulfopropanoate	16.26064025	153.993677		0
Glycylproline	13.42215464	172.0847669		0
Laudanosine	3.790040783	357.1946353		C09558
(L-Seryl)adenylate	13.65038711	218.0555214		C05820
Pentanoate	4.826240295	102.0680816		C00803
nonulose 9-phosphate	16.3938399	350.0616746		0
Glu-Asp-Cys	11.34152157	365.0894324		0
2-Deoxymugineic acid	16.42090621	304.1273327		C15485
2,2-Iminodipropanoate	9.28994027	161.068831		C03210
Glu-Leu	10.83217662	260.1371512		0
Asp-Asp	17.15169671	248.0644012		0
Ecgonine	11.01628286	185.1052391		C10858
CoA-glutathione	16.75938181	536.0919972		C00920
4-Methylene-L-glutamate	13.28659512	159.0531469		C00651
Aspartyl-L-proline	15.22175385	230.0901656		0
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	13.75669329	192.0634857		C01295
Vanilpyruvicacid	4.840498101	210.0529914		0
Cardiospermin	12.9881462	275.1004679		C08328
momilactone A	3.980166186	314.1885691		C18015
4-Hydroxyhexan-3-one	7.295139058	116.0837454		C02948
Arg-Leu-Val-Asn	21.68590165	250.1530574		0
Phenolsulfonphthalein	7.390574043	354.0562732		C12600
[FA (11:1)] 10-undecenoic acid	4.014645772	184.1463281		C13910
Glu-Met-Met-His	14.21401643	273.0960386		0
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	12.91787267	321.0995035		C04544
(6Z)-Octadecenoic acid	6.002920268	282.2559783		C08363
ancymidol	4.449309285	256.1208676		0
Fagomine	12.07788674	147.0895163		C10144
hydrogen iodide	9.023740931	127.9123601		C05590
PI(36:2)	3.674680545	862.5567233		0
N3-fumaramoyl-L-2,3-diaminopropanoate	14.6044357	202.058891		0
4-Nitroaniline	12.06429961	138.0430485		C02126
Cys-Met-Pro-His	14.42601517	243.0863142		0
Monomethyl sulfate	8.242760786	111.9830387		C02704
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone	4.782226994	242.1518272		0
Asp-Leu-Lys-Lys	22.05928952	502.3118731		0
ethylpyruvate	4.843604417	116.0473747		0
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1-myo-inositol)	4.151175651	600.3274721		0
[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol	3.970621526	221.1539984		0
dXMP	15.05817523	348.0471758		0
N-Acetyl-D-glucosaminate	13.60815283	237.0848317		C01133
alpha-D-Mannoheptulopyranose	12.10324462	210.0743148		C08236
Arg-Cys-Gln-Tyr	14.53687798	284.1210058		0
Muramic acid	14.1223928	251.1006851		C06470
[FA (13:2)] 3E,5E-tridecadienoic acid	3.8754903	210.1620874		0
N-Acetyl-D-fucosamine	10.83045973	205.0948753		C15480
[FA (20:0/2:0)] Eicosanedioic acid	3.704954366	342.2770969		0
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic acid	16.18132116	136.037436		0
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid	4.815226598	132.0786609		0
2-trans,6-trans-Farnesal	4.250755268	220.1826992		C03461
[6]-Gingerol	3.917712019	294.1832363		C10462
2-Dehydro-D-xylonate	15.88502994	164.0321651		C02928
penem CGP31608	15.61744596	244.0517488		0
Quassin	4.535705971	194.0943348		C08778
His-Met-Trp-Ser	12.609089	559.2223867		0
[PR] Citronellyl acetate	3.946337553	198.1620005		C12298
Glu-Glu	16.79268387	276.0960043		C01425
trans-4-Hydroxycyclohexanecarboxylate	7.403004835	144.078653		C04404
[FA (17:0)] heptadecanoic acid	3.768823628	270.2558714		0
(4E)-2-Oxohexenoic acid	4.786297273	128.047405		C06761
2-hydroxymethanesulfonate	12.96776904	111.9830732		0
Diethyl 2-methyl-3-oxosuccinate	4.816468122	202.0842067		C04067
L-Ala-L-Glu	13.54646072	218.0904346		0
glutathione-sulfite	18.90549495	387.0408527		0
Nonanoic acid	4.173985661	158.1306683		C01601
[FA methyl(6:0)] 2-methyl-hexanoic acid	4.539999815	130.099422		0
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	9.556933025	189.1001614		C06326
Capryloylglycine_2	4.707806044	201.136704		0
N-Undecanoylglycine	4.491427829	243.1835982		0
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserine	4.093026788	525.3068092		0
Cys-Thr-Ser-Tyr	10.01238902	236.0810181		0
Dehydrojuvabione	3.711209962	264.1724333		C09657
Glu-Asp-Met	15.03814012	393.1206126		0
2-Oxooctadecanoic acid	3.752289881	298.2509983		C00869
3-acetyl pyridine adenine dinucleotide	16.94925956	331.0575575		0
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid	10.75295341	172.0736311		0
Diethyl adipate	4.303080785	202.1204988		C14566
phlorisobutyrophenone	4.15448909	196.0735798		C07351
4-Propylphenol	4.749775934	136.0888759		C14311
Furfural diethyl acetal	4.26365718	170.0942606		C14280
[FA oxo(8:0)] 3-oxo-octanoic acid	4.5252823	158.0942831		0
penem CGP31608_2	7.741840411	244.0519856		0
Tauropine	13.31340255	197.0358865		C01616
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid	3.998499335	230.1881389		0
1,4-Bis(2-ethylhexyl) sulfosuccinate	3.589424674	422.2345793		C07874
2-Aminomalonate semialdehyde	10.70862058	103.0270045		C11822
A-Ketoglutaricacidoxime	7.901420539	161.0324268		0
Zoxazolamine	5.814205043	168.0092808		C13841
N-Acetyl-D-fucosamine_2	8.217878372	205.0952284		C15480
Diethofencarb	4.056531579	267.1468677		C11077
Glu-Cys-Cys_2	16.19997823	353.0713155		0
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine	7.830176152	427.2934945		0
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic acid	3.731355337	340.261994		0
Cys-Met-Met-Phe	12.55013809	530.1695016		0
(-)-Medicocarpin	14.00257167	432.1412775		C16223
Nitrilotriacetic acid	13.54409786	191.043072		C14695
(R)-AMAA	8.659579425	172.0484104		C13739
Asp-Asp_2	12.8195013	248.0648872		0
Glu-Glu_2	13.02297605	276.0957731		C01425
Glu-Met-Cys-His	12.8820527	259.0805464		0
Leu-Asp-Gly	11.52607077	303.1431478		0
PG(36:3)	3.541085128	772.5255986		0
Asp-Met-Cys-Cys	14.32314546	470.097025		0
Asn-Gln-Tyr-His	12.2266304	560.2336032		0
UTP	17.67241661	483.9686843		C00075
LPA(18:2(9Z,12Z)/0:0)	7.364927775	434.2436219		C00416
N-Acetyl-L-phenylalanine	7.398267444	207.0895139		C03519
N2-Acetyl-L-aminoadipate_2	15.31861266	203.0792735		C12986
L-Arabinonate	13.42087283	166.0478832		C00545
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid	3.815943556	320.2354899		C04742
N-Acetyl-L-glutamate 5-semialdehyde	7.416784212	173.0688262		C01250
3-Dehydrocarnitine	13.37404645	159.0895934		C02636
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide	14.78053131	338.0628235		C04677
LPA(0:0/18:0)	7.381761409	438.2742887		C00416
Cyclic ADP-ribose	13.79301929	541.0604339		C13050
O-Acetyl-L-homoserine_2	12.98795458	161.0688388		C01077
Maleamate	7.369127839	115.0269551		C01596
Sinapoyl aldehyde	4.541617577	208.0736473		C05610
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	4.634224795	410.243018		C00416
2-Aminoacrylate	19.91020047	87.03210422		C02218
4-Oxoglutaramate	16.69484894	145.037588		C05572
3beta-Hydroxyandrost-5-en-17-one 3-sulfate	3.759665469	368.1660239		C04555
Urea-1-carboxylate	10.77153544	104.0221927		C01010
L-2-Amino-3-oxobutanoic acid	14.16436891	117.0424637		C03508
Icosadienoic acid	3.738502123	308.2716201		C16525
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphate	4.51401264	438.2738002		C00416
Oxoamide	5.420949809	192.0899572		0
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	3.883783597	737.4997563		C00350
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	19.91435838	217.0585566		C04690
N-Acetyl-D-glucosamine 6-phosphate	14.45496669	301.0562988		C00357
D-Xylulose	14.69150863	150.0529593		C00310
Sulfoacetate	17.83277426	139.977962		C14179
(S)-Methylmalonate semialdehyde	14.71465464	102.0316809		C06002
N4-(Acetyl-beta-D-glucosaminyl)asparagine	14.60028458	335.1329885		C04540
Sulfoacetaldehyde_2	12.61779069	123.9830833		C00593
2-Acetolactate	14.65585487	132.0423035		C00900
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	4.589966695	392.2926199		C02528
N4-(Acetyl-beta-D-glucosaminyl)asparagine_2	15.80299898	335.1332459		C04540
1-Aminocyclopropane-1-carboxylate	14.06810775	101.0476886		C01234
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	3.891416389	743.5470565		C00350
2-Hydroxy-2,4-pentadienoate	14.66637808	114.0317311		C00596
LPA(0:0/16:0)	7.39328311	410.2431329		C00416
2-Dehydro-3-deoxy-L-arabinonate	12.40692041	148.0371639		C00684
D-Glyceraldehyde 3-phosphate	14.98403848	169.998087		C00118
2-Hydroxyethanesulfonate_2	7.358446641	125.9986664		C05123
LPA(0:0/18:1(9Z))	4.606492869	436.2583948		C00416
4-(2-Aminophenyl)-2,4-dioxobutanoate_2	13.74228758	207.0533593		C01252
Sorbitol 6-phosphate	14.85717542	262.0452953		C01096
LPA(0:0/18:2(9Z,12Z))	4.130383094	434.2436798		C00416
L-2-Aminoadipate 6-semialdehyde	7.429184211	145.0739137		C04076
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	3.850685859	765.5305776		C00350
Maleamate_2	14.76099305	115.0269352		C01596
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid	3.807348739	304.2404554		C00219
1-Aminocyclopropane-1-carboxylate_2	19.88854713	101.0477089		C01234
Linoleate	3.769770668	280.2402855		C01595
2-Oxoadipate	14.39685784	160.0371812		C00322
3-Methylbutanoic acid	7.408236302	102.0680676		C08262
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	3.85066339	779.5824448		C00350
L-Glutamate 5-semialdehyde	13.00132822	131.0582731		C01165
[FA (20:0)] 11Z-eicosenoic acid	3.732586802	310.2871431		C16526
N-Acetyl-L-glutamate 5-semialdehyde_2	14.00770918	173.0688768		C01250
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate	3.659808213	700.5039475		C00416
Glycochenodeoxycholate	4.569219571	449.3148033		C05466
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid	3.851340254	310.2142157		C04785
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadienoic acid	3.783816036	296.2350495		C14767
(9Z)-Hexadecenoic acid	3.799986921	254.2247458		C08362
N-Succinyl-L-glutamate	14.89503233	247.0691424		C05931
Oxalosuccinate	16.36929888	190.0114319		C05379
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate	3.631076229	674.4887452		C00416
5-Hydroxycotinine	7.47978605	192.0899538		0
N-Formyl-L-methionine	7.41578685	177.045901		C03145
Octadecanoic acid	3.752110136	284.2715149		C01530
Docosahexaenoicacid	3.725446905	328.2406469		C06429
Docosanoic acid	3.697852352	340.3343021		C08281
L-Glutamate 5-semialdehyde_2	8.371853678	131.0582682		C01165
Orotate(Fragment)	12.19383654	112.0272331		C00295
4-Amino-4-deoxychorismate	13.07107597	225.0637473		C11355
Icosatrienoic acid	3.752073582	306.2564068		C16522
Phenylacetaldehyde	7.424749827	120.0575123		C00601
3-hydroxyacyl group of bacterial toxin	4.204818596	711.4334536		C11548
5-Hydroxyisourate	13.04983414	184.0232036		C11821
(S)(+)-Allantoin	13.75959121	158.0439717		C02350
N-(L-Arginino)succinate	16.4968689	290.1231033		C03406
10-oxogeranial	4.321411204	166.0993269		C17622
9-Oxononanoic acid	4.586600407	172.1099674		C16322
[FA] Methyl jasmonate	4.196247043	224.1412789		C11512
Traumatic acid	4.216224703	228.136347		C16308
CMP-N-acetylneuraminate	14.9412333	614.1479188		C00128
5-Hydroxyectoine	13.47887845	158.0690756		C16432
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	4.24859254	418.3446671		C05453
N-Formyl-L-aspartate	15.28706812	161.0324124		C01044
Phosphodimethylethanolamine	14.58606926	169.0502684		C13482
Abscisic aldehyde	4.303040875	248.141374		C13455
2-(Acetamidomethylene)succinate	14.52019103	187.0480203		C01215
[FA (24:0)] 15Z-tetracosenoic acid	3.677698684	366.3497607		C08323
CDP	16.78618466	403.0185607		C00112
L-Cysteine	16.10894559	121.0196948		C00097
4-Hydroxyphenylacetylglycine_2	15.75224727	209.0690407		C05596
Pseudouridine_2	17.2203333	244.0696459		C02067
N-Succinyl-L-glutamate_2	17.25675214	247.0694716		C05931
5-Phenyl-1,3-oxazinane-2,4-dione	4.511756679	191.0582605		C16596
Cyanuric acid	11.64030592	129.0174914		C06554
Salicylaldehyde	3.96020212	122.03679		C06202
cis-1,2-Dihydro-3-ethylcatechol	11.91996894	140.0838011		C06727
S-(Formylmethyl)glutathione	11.96837623	349.0944693		C14871
N-Hydroxy-1-aminonaphthalene	5.6409693	159.0683915		C14789
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	4.114335347	225.5708304		C14791
cis-3-Chloroacrylic acid	7.671277397	105.9821651		C06615
Dichloroacetate	7.395475873	127.9432126		C11149
hydroxypyruvaldehyde phosphate	12.54777064	167.982433		0
Obliquine	4.641412751	448.1994603		C12183
P-DPD	14.84762151	212.0086015		0
herbicide 14A	11.57782647	298.0122716		0
Met-Met-Pro-Tyr	17.34558493	540.2084261		0
PS(P-18:0/17:2(9Z,12Z))	3.552363111	757.5260615		0
GMP-N-ε-(N-α-acetyl lysine methyl ester) 5-phosphoramidate	14.34479167	547.1800567		0
PS(40:8)	3.649416342	831.5053682		0
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholine	4.432966941	507.3321514		0
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid	4.106726808	200.1413212		0
Indoxylsulfate	7.419286225	213.0096621		0
L-Glycericacid	13.36059117	106.0266387		0
L-Ala-L-Glu_2	14.78574245	218.0900739		0
phosphinomethylmalate	13.3334148	212.0085541		0
LysoPE(0:0/20:2(11Z,14Z))	4.465231877	505.3162321		0
2-Butyne-1,4-diol	17.85618778	86.03661155		C02497
octulose 8-phosphate	16.02582756	320.0510107		0
Vinylacetylglycine_2	7.369363094	143.0582368		0
2,3,5-Trihydroxytoluene	14.84536388	140.0473961		C03338
Ala-Asp-Ser	14.71114762	291.1070239		0
3-dimethylsulfoniopropionaldehyde	14.62945674	118.045229		0
PS(15:0/22:4(7Z,10Z,13Z,16Z))	3.594237981	797.5207139		0
Muramic acid_2	12.98831973	251.1005358		C06470
Glucosyl sphingosine	4.554659178	461.3353265		0
MG(0:0/24:1(15Z)/0:0)	3.611756185	440.3868513		0
Asp-Ser	15.4834702	220.0694784		0
Sedoheptulose	13.70354298	210.0739773		C02076
2-Dehydro-D-xylonate_2	12.88424578	164.0321474		C02928
Lys-Asp	16.58522538	261.1324762		0
PI(38:4)	3.662045012	886.5577666		0
alpha-(Methylenecyclopropyl)glycine	23.00401696	127.0633807		C08292
Hydroxymethylphosphonate	14.1588455	111.9924269		C06455
PA(36:4)	3.609996166	696.4736491		0
Benzofuran	4.261381204	118.0417267		C14512
indole-3-acetyl-valine	8.465407521	274.1314428		0
5-Hydroxypentanoate	7.411303389	118.0630274		C02804
PA(36:3)	3.656282364	698.4883695		0
6-Acetyl-D-glucose	15.77952844	222.0739892		C02655
3,4-Dihydroxypyridine	19.90296628	111.0318083		C02932
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	7.389492849	356.0531888		0
N-Butyryl-L-homoserine lactone	7.418123835	171.0896005		C11837
Clitidine 5-phosphate	13.43067476	350.0514736		C08429
PG(P-16:0/15:1(9Z))	4.082887282	690.4835612		0
Camoensine	8.458324033	230.1414667		C10758
ADP ribose 1,2-phosphate	16.43466417	310.5140268		0
1,2-dioctanoyl-1,2,6-hexanetriol	3.672146897	386.3032929		0
Cholesterolsulfate	3.588732049	466.3119075		0
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_2	10.93373349	189.1001088		C06326
melibionate	14.89583844	358.1112949		0
2-Butenoate	14.65984707	86.03674717		C01771
Ala-Asp	16.05518144	204.0746252		0
Phenol sulfate	5.176106923	173.9986652		C02180
Tetranor-PGE1	4.559994964	298.1777963		0
PI(38:5)	3.666715001	884.5417481		0
Galactinoldihydrate	13.8503126	378.1374835		0
6-Acetyl-D-glucose_2	14.01298361	222.0741948		C02655
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate	4.057523103	288.1472059		C11494
Thiopental	8.033128216	242.1087218		C07521
Demethyltorosaflavone D	4.812966883	356.0532246		0
Glu-Thr-Thr	13.83511482	349.1487349		0
PIPES	14.19101984	151.0303078		0
N-Acetyl-L-leucine_2	11.73450342	173.1052759		C02710
PI(36:4)	3.676457831	858.524139		0
Fagomine_2	13.14336898	147.0896095		C10144
2-Octenedioicacid	7.301107833	172.0735829		0
Asp-Gln	17.00572398	261.0960839		0
2,7-Anhydro-alpha-N-acetylneuraminic acid	12.98489284	291.0954323		C04521
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosphocholine	4.471175719	465.3224409		0
Glycerophosphoglycerol	13.19644854	246.050516		C03274
nocardicin G	13.85241195	385.1272694		C17355
Gentisyl alcohol	12.85188505	140.0473246		C10792
sn-glycero-3-Phospho-1-inositol	15.83116802	334.0666339		C01225
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate	3.772632864	370.1812191		C04555
7E,9E,11-Dodecatrienyl acetate	3.918743452	222.1619829		0
(1S,2R,4S)-(-)-Bornyl acetate	3.935508216	196.1462673		C09837
[FA (14:2)] 5,8-tetradecadienoic acid	3.82695642	224.1778536		0
N-Butyryl-L-homoserine lactone_2	4.957546836	171.0896062		C11837
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine	3.901451111	537.4756727		0
N-Glycolyl-D-glucosamine	15.21497172	237.0848735		C03146
PA(36:1)	3.589678378	702.5194827		0
Ethyl 3-oxohexanoate	7.377532875	158.0942741		C02975
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro-	13.95355456	340.10089		0
Thr-Ala-Ala	17.93902737	261.13265		0
N-Undecanoylglycine_2	7.327220482	243.1834314		0
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	4.597940838	437.2907568		0
Asn-Asp-Gly	15.65096276	304.1020731		0
8-keto-7-aminoperlagonate	4.821822591	185.1052179		0
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	4.75861349	184.1099388		C04718
10-Hydroxydecanoic acid	4.027718347	188.1412638		C02774
Botrydial	3.88670908	310.1785092		C09622
dihomocitrate	17.37592473	220.0583346		C16583
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3-phosphocholine	4.79296234	495.2964951		0
omega-Cyclohexylundecanoic acid	3.78394325	268.2403531		C12100
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	4.697019176	240.0999043		0
N-hydroxyisoleucine	8.460362957	147.0895285		0
[PR] 9-Hydroxy-helminthosporol	3.897057118	252.172726		0
Ala-Ser-His	14.49270986	313.1382567		0
Ala-Asn-Asp	15.12556037	318.117843		0
Cer(d18:2/16:0)	3.866242986	535.4965473		0
[FA methyl(14:0)] 12-methyl-tetradecanoic acid	3.812900637	242.224675		C16665
(9Z)-Tetradecenoic acid	3.865226166	226.1929296		C08322
Cyclohexane-1,3-dione	4.399335853	112.0524547		C01066
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	3.834918564	240.2090349		0
[FA oxo(16:0)] 3-oxo-hexadecanoic acid	3.773339451	270.2194299		0
Ethyl (R)-3-hydroxyhexanoate	4.597244977	160.1099364		C03864
[FA (8:1)] 2Z-octenoic acid	4.348771107	142.0994449		0
Glutarylglycine	8.461041629	189.0635778		0
16-hydroxypalmitate	3.785166664	272.2350627		0
PS(13:0/12:0)	4.176897616	637.3963812		0
Brassicanal A	4.422050014	191.0405797		C11048
N-hexanoyl-D,L-homoserine lactone	4.511086053	199.1208124		0
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid	3.815741559	300.2667285		C03045
Stealthin C	4.82169889	153.54199		C12392
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl)-cyclopentanebutanoic acid	4.214459769	238.1569546		0
[FA oxo(7:0)] 2-oxo-heptanoic acid	4.322040085	144.0786702		0
Xylobiose	14.7377583	282.0949554		C01630
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	4.614501026	146.0943167		0
Glu-Ser	15.09932631	234.0850842		0
(+/-)-6-Hydroxy-3-oxo-alpha-ionone	4.360909132	222.1257144		C04223
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	4.754454839	228.0998411		0
3-Hydroxydodecanedioicacid	4.793915733	246.1467567		0
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoserine	4.22681886	567.3174174		0
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol	3.555066661	560.4794419		0
10-Oxodecanoate	4.21588438	186.125881		C02217
[FA (10:1/2:0)] 2E-Decenedioic acid	4.650442814	200.1050114		0
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	4.219741561	226.1205432		0
Neuraminic acid	14.20493811	267.0954453		C06469
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine	3.82927069	561.3431841		0
Dodecanedioic acid	4.117562882	230.1517614		C02678
n-Acetylasparagine	11.19301887	174.0640818		0
Aspidinol	3.954860271	224.1048292		C10673
N-oleoyl threonine	3.696907397	383.3036852		0
3-(ADP)-glycerate	16.32327744	515.0454921		C02509
Asp-Gly-Tyr	14.01078596	353.1222897		0
Leu-Ala-Asp	10.75981845	317.1588161		0
Asn-Asp-Asp-Pro	14.33869643	459.1593235		0
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2,4,6-trimethoxy-beta-hydroxychalcone	4.819839767	358.1045778		0
Hymexazol O-glucoside	12.86522787	261.0848158		C11102
4-Nitrophenyl-3-ketovalidamine	14.16548123	296.1010329		C03995
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate	14.11715499	334.0668721		C04641
Asp-Gly-Ser	15.5303863	277.0911994		0
N-Acetylgalactosaminate	15.14108114	235.0692374		C03408
(-)-jasmonoyl-L-valine	3.843399384	309.1939033		0
PG(40:8)	3.538750959	818.5085756		0
sinapoyltyramine	4.108440184	343.1421363		0
Val-Asp-Ser	12.97364067	319.1376901		0
Met-Ala	7.382055219	220.0879044		0
nonulose 9-phosphate_2	14.34432504	350.0618699		0