metabolite_name	CP_RBC36_13C_0_1	CP_RBC36_13C_0_2	CP_RBC36_13C_0_3	CP_RBC36_13C_19_1	CP_RBC36_13C_19_2	CP_RBC36_13C_19_3	CP_RBC36_G_0_1	CP_RBC36_G_0_2	CP_RBC36_G_0_3	CP_Retics36_13C_0_1	CP_Retics36_13C_0_2	CP_Retics36_13C_0_3	CP_Retics36_13C_19_1	CP_Retics36_13C_19_2	CP_Retics36_13C_19_3	CP_Retics36_G_0_1	CP_Retics36_G_0_2	CP_Retics36_G_0_3
2,3-Bisphospho-D-glycerate	324850	600786	534306	2417475	3065875	2827613	180084	448438	606403	71127	46580	75745	5125625	5177125	4912116	2849856	2439174	3587287
Sucrose	78542	73081	72579	288468	266913	222107	235893	242928	225139	113591	116268	100467	87521	92347	76276	234406	221597	183512
D-Fructose 1,6-bisphosphate	477234	632194	599803	1211485	1307796	1155662	732568	1135955	1143877	143344	129168	132851	1464022	1610519	1401693	2652484	2465198	2703840
3-Phospho-D-glycerate	2497939	2271373	2248459	3534669	3118124	3784346	4242770	3846181	3761298	1675098	1611311	1290152	3545286	3155650	4056563	4522430	4271209	4793723
Phosphoenolpyruvate	1171067	1054724	490156	1726949	1427009	873499	1947442	1498945	756688	617555	585339	237125	1859994	1588258	1055553	2280957	2049613	1083547
UDP-glucose	445609	352316	382164	571503	438739	467427	1893118	1490958	1513710	2477394	2293992	2216757	4109712	3421060	3521997	11790721	10343434	9855224
Benzoate	1045767	1219068	1701657	1421799	1506574	1884058	967130	1114169	1591073	1280853	1407302	1882479	1896570	1908400	2287294	1728319	1922614	1943525
Citrate	24978576	26627374	24076914	32277112	29259286	30024454	24144694	25003308	22271898	42216604	38526824	35785088	60031520	56786728	53848448	57900120	54187044	49767844
Pyruvate	2256101	2317790	2424537	2473780	2602784	2799399	2480210	2359790	2655660	1424096	1459300	1574133	1259078	1271277	1318445	1301180	1282007	1324051
6-Phospho-D-gluconate	687525	680687	571463	778761	637512	640080	624677	610608	546854	572231	509956	449736	1607137	1545349	1465462	2080139	1942614	1819202
D-Ribose 5-phosphate	294164	270378	343555	349513	314703	286653	318953	260183	249692	173853	178013	163648	167437	171216	155659	399595	399165	337140
GDP-mannose	541305	542239	452157	574659	509809	519878	560362	563854	520487	302559	275350	240480	1119523	1094212	1049615	1362719	1239265	1237708
myo-Inositol	983645	915680	996817	991290	995616	1029099	1047270	1030854	1015803	5141358	4668199	5330500	4386950	4351322	4604154	5668673	4820424	5248293
Glutathione	97907040	86141168	71405496	97675312	85577136	76171432	108897288	91338032	81205000	97402272	92726744	76553312	23576034	17309528	12998209	66718548	57838216	47619276
D-Glucose	26816180	24575916	24207024	25629768	26283004	24626092	47900864	44181228	45570180	23122144	20401566	22002008	21306938	19619966	21343920	47143316	41493696	44363424
D-Fructose	41037540	33817724	34421708	44523064	33432542	30607044	45757308	33958280	33423990	5471338	5200975	3885126	6972326	6465105	5841127	6964809	5687430	5101799
Phenylpyruvate	103006	101990	134200	100688	93096	139186	114158	101268	137061	77739	79317	137941	92567	42235	92200	74440	76411	106117
L-Aspartate	93043096	87344552	76575392	94870032	78002504	74364536	85671144	85248736	80977032	177776352	165721728	157829360	183272768	160562032	154045872	190650112	190138784	166940224
Decanoic acid	1432139	1377335	1521781	1411503	1410773	1311995	1427822	1414490	1423921	1591501	1418801	1605413	1932162	1890273	2006485	1817618	1631156	1702546
Oxalate	273495	256961	268579	274845	238233	243598	237817	183807	233271	141085	137188	111732	259666	198830	234415	239118	210940	190903
(R,R)-Tartaric acid	669721	520222	358559	608364	454216	392508	564993	459683	337346	87489	82091	51348	111013	77406	73264	147273	120963	84340
Taurine	4012839	3217079	3094358	3668684	2998988	2942775	3846281	3180189	3297927	786872	835720	741699	597900	652147	591952	743096	638371	615062
Fumarate	1337120	1133673	1068986	1231726	1101822	927856	1124292	1177253	1062178	2714727	2368981	2234817	2570946	2085754	2208664	2482301	2628124	2244473
Phenylacetylglycine	3669574	3130065	3592355	3204268	3089074	3170888	4903021	3732663	4014269	1364825	1378983	1654028	2015532	2003165	2041399	2741216	2390169	1979998
D-Sorbitol	48938196	45788892	43116100	45330464	40668920	39147964	46595484	43762544	42917344	2070435	2060889	2034781	2432193	2254206	2196211	3726123	3496891	3370239
2-Oxoglutarate	6389045	5859301	6249811	5834383	4851012	5787098	7190480	5800841	7421545	2204426	2445665	3510937	2125312	2238053	3305970	2066018	2126783	2979650
Hexadecanoic acid	148460464	124869712	140918608	123264760	118557696	124809264	96829688	89577080	86754928	127659120	126181496	122004632	117601432	111934968	104862792	185419904	184519200	172708608
sn-Glycerol 3-phosphate	897823	671942	611701	850075	475101	591802	909328	766761	665515	8947677	7028381	6210635	10610370	8874863	6708604	13358026	11527133	8394184
UDP-N-acetyl-D-glucosamine	2411751	2059553	1564358	2231944	1539567	1448467	2448385	1350603	1478869	7646954	6595735	5237638	13739678	10029609	9591185	14904921	10541505	9435821
Tetradecanoic acid	6707205	5836921	5417919	5284180	5390456	4722232	4336659	4265494	4067190	5159257	4959947	4135400	6432425	6644971	5775734	7167114	7015511	6265720
D-Gluconic acid	135037840	120858192	109759352	116654360	93745712	100906136	132677344	106168200	108207344	2832500	2790874	2720592	3247753	2602625	2430627	3163682	2873146	2168496
(S)-Malate	6576716	5925962	5962076	5886545	4801254	4792170	6165301	6110189	5605239	46745072	41256752	42989944	56860560	47926680	48301680	61249484	57954032	47331860
[FA (8:0)] octanoic acid	2648728	2626680	2591933	2126448	2223865	2165293	2548615	2345671	2455633	2616603	2901883	3212663	2517995	2515216	2808300	2758647	3373886	3558791
FAD	84015	55721	57841	46333	46315	43865	65814	59980	46147	121217	107485	82048	201910	158363	143782	191873	195913	185852
Phthalate	1212903	1180130	1050075	516826	487805	466786	758961	604442	579357	531107	608683	492674	886380	730556	750705	953632	898143	775104
Orotidine	1092765	787289	725621	694408	687585	588393	1089677	785245	603411	1339593	1468202	1044828	1319398	1302215	1112333	1261015	1888431	1577288
Hexanoic acid	4681498	4444728	4764172	2366931	2518747	2934040	2253176	2485587	2758735	3994192	3822931	4647853	5929618	6443842	6895114	8869648	8474640	9719010
5beta-Cyprinolsulfate	114127	192078	96396	268590	300582	319906	141577	304205	227386	316623	252441	221185	222763	223913	176285	367900	299977	215170
Urate	736656	649979	614704	1483674	1515366	1286648	1134445	814846	670424	27130	28247	128651	0	0	124375	0	0	138668
3-Phospho-D-glyceroyl phosphate	56556	122395	56364	147023	172328	167185	23149	83353	116976	189164	106850	104287	143850	138254	115696	74322	47049	80808
Glycerol	142843	116885	156176	190345	208919	255379	152278	128834	107853	126876	127804	213831	75202	85469	118309	102080	81723	114481
[PR] Tretinoin/All-Trans Retinoic Acid	1136440	1108961	1030321	1820612	1729221	1595000	1246195	1231320	1126958	1795773	1696642	1665146	1090951	1120055	978620	3852178	3799998	3520323
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	1358989	1057651	231133	1466367	1247327	1284778	1835204	333838	1410025	2124354	1966113	1716605	3960049	3381748	2846168	4286982	4435796	3648652
4-(2-Aminophenyl)-2,4-dioxobutanoate	176824	196557	381468	512686	315747	305972	920993	743041	920358	1472854	1189082	1475452	0	0	0	1926857	1919578	1979146
4-Methylpentanal	650665	741382	671467	915905	1092825	1019618	658098	983617	955490	1300180	1441743	1359129	649779	633661	673647	1189166	1279729	1199812
3-Sulfino-L-alanine	128546	116367	46758	170579	129799	103810	118980	90723	98717	171401	150463	126221	768054	602160	621587	299574	304973	247677
3,6,8-Trimethylallantoin	46039	47052	26560	55048	67154	43365	188910	148965	129928	258506	204706	174737	0	0	0	348290	288654	318347
dATP	115652	126496	85561	161000	150162	138232	100469	73638	79960	23474	24859	15528	210483	230770	190456	181901	150349	135982
(S)-1-Pyrroline-5-carboxylate	2064113	2723211	2919870	2929209	3504692	4104603	2062362	3226933	3942069	975539	1541733	1527170	1389606	1967723	1959184	1699051	2884633	2227780
Gentisate aldehyde	51998	46863	78260	62920	51803	99993	54699	63746	79683	65818	33813	75299	88035	69689	105905	95379	44961	102414
2-Formaminobenzoylacetate	64465	52282	52404	68635	58405	74519	160241	119238	142686	187068	172626	238786	38165	21312	45907	328148	305388	301005
D-Sedoheptulose 7-phosphate	515857	517811	488581	641502	578018	577227	3073897	2971961	2979883	742225	648626	658362	1284799	1216860	1203421	4668475	4237051	4161223
N-Acetylneuraminate	456724	328327	320330	519259	402987	366600	593166	475183	427061	3140023	2962922	2581383	4591458	3616343	3285749	4553409	4116690	3461041
D-Glycerate	153938	160429	203477	183688	169793	245029	252255	230426	302959	168470	179913	226478	210942	183660	262138	259118	243072	326055
D-Proline	395478	338638	410643	410649	412804	489666	356029	473765	392006	430537	463647	409917	459547	578881	466545	463546	584742	457910
2-Oxoglutaramate	96556	100602	123960	128298	125410	111812	418037	371864	367686	1273770	1301985	929622	180660	141221	96106	1486306	1429974	1133415
5-Acetamidopentanoate	1279004	1277396	1520279	1569483	1350525	1710631	1535085	1725976	1715735	932648	870027	1092660	1055835	1044790	1225855	1759201	2041810	1889245
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine	1425236	1235685	1087446	1597604	1514465	1131460	1672345	1406137	937732	3603112	3166205	2363712	3290708	2848466	2397182	3189058	2839578	1909309
Acetyl-CoA	75584	76161	59570	81237	83273	72720	63448	58588	60016	28266	32675	25057	54954	50292	46521	89440	72965	71595
L-Histidinol phosphate	1857492	1410201	1252347	2012162	1610299	1424836	219211	156136	136637	1435656	1375064	1185618	1778839	1399946	1097820	27103	19076	15714
(S)-2-Aceto-2-hydroxybutanoate	214420	250579	261983	251387	277126	281956	219073	281035	266125	210753	228563	289141	219629	233390	274537	281639	317213	256775
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine	8822405	7555948	6153679	10231644	7734011	6932544	10378149	8727328	7516423	3232587	2919626	2170551	3302064	3211984	2640521	2907560	2432697	2044260
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc acid	176801	141806	136497	196441	159254	141798	165707	137646	154994	0	0	0	0	0	0	0	0	15312
Sulfoacetaldehyde	101057	68941	67105	80532	78561	98613	100530	90145	92369	360466	270305	369968	371615	367242	402518	395940	451828	348336
(R)-2,3-Dihydroxy-3-methylbutanoate	336225	312381	331085	343318	326311	385126	341442	337378	327456	199753	190068	230378	186550	215628	190361	226549	199172	237321
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	180988	180213	167364	154999	189083	223762	169218	189454	165224	163367	169779	210730	151868	156108	175123	186116	237059	183087
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic acid	105578	104098	111193	136876	116040	91782	99563	89076	81569	96787	105760	137434	141674	149998	139692	198007	156840	187100
L-Aspartate 4-semialdehyde	54943	63664	98766	53206	77878	98971	68010	70046	81701	52866	79895	127287	59287	85087	88166	85345	98850	140453
Butanoic acid	185555	206761	207258	146439	275889	206974	171322	274763	228799	178415	230098	313650	335831	305598	379763	295476	247076	344625
(3R)-beta-Leucine	2728974	2641292	2966660	2860106	2496685	3301326	2151012	2712628	3110261	2773156	2707744	2792168	2974415	2385434	2734427	2773785	2633258	2361832
UMP	219155	186850	226416	304028	179998	171401	180673	121701	183927	320502	185964	207229	812770	696577	618035	762768	396405	465277
2-Hydroxybutane-1,2,4-tricarboxylate	132728	129885	140057	147653	135288	132031	109591	113561	116423	225743	265570	211334	320417	298521	293225	318173	335759	241318
ADP	40926696	31285714	32200168	43975140	32908374	30463598	36735784	25561040	25673068	6383654	5620715	5436038	19482474	15413419	15575323	17749632	14235082	14767885
[FA (18:1)] 9Z-octadecenoic acid	9885617	8660467	9526781	10058749	9630529	8792925	7661317	7906600	7559083	8690388	8794694	8441548	10815140	11018013	10515300	12029394	11934179	11228709
(R)-3-Hydroxybutanoate	66575	86774	70743	76970	77412	71624	60273	74813	72423	82731	87900	95595	74298	90837	88286	66443	83433	73511
N-Acetyl-D-glucosamine	71732	76681	75702	83221	82582	59240	74582	87578	82223	116503	116847	114595	120377	129469	108824	120573	86592	91886
Indole-3-acetaldehyde	515423	531983	528093	534357	490364	557265	440532	442261	539181	386404	393370	297602	296650	269521	318135	306758	313372	290505
UDP-glucuronate	136216	122182	114232	138393	110052	125350	118726	95819	109270	239460	213232	211766	983513	839587	842509	959442	844242	722049
2-Hydroxyethanesulfonate	308154	264334	352749	295839	237516	396299	305619	276166	370682	291863	234544	310604	301381	278658	461612	297441	338693	549269
alpha-D-Glucosamine 1-phosphate	173871	196107	164490	192777	173346	167511	173591	178779	162528	79778	74746	59501	61896	63585	58358	81244	74894	68269
Indole-5,6-quinone	33134	28250	29779	32179	30563	28114	31668	33900	29983	38796	41486	35510	114475	66544	74334	46675	36188	35122
XTP	336152	299941	226302	350068	249558	259537	638287	483416	453324	322807	289047	252960	292766	284409	220245	723076	516565	517677
GMP	140681	116960	144921	143257	116986	135325	122808	116838	131576	114277	102926	105896	156253	148578	183547	176421	146297	177394
L-Rhamnose	657736	512713	568302	599161	558648	540108	622895	526861	509138	633587	620025	556846	556334	608741	553819	673020	741690	628318
GDP-L-fucose	267163	258862	240350	256216	245582	237582	238593	237607	220949	109708	107794	106314	193893	196093	171040	201054	218302	187899
(S)-3-Methyl-2-oxopentanoic acid	1499682	1265171	1726184	1365771	1192308	1723513	1555328	1400512	1733690	7040760	6459559	8306239	7262343	6685175	7733265	5900922	5250858	6667797
S-Sulfo-L-cysteine	37718	32301	36503	38449	29756	33257	17012	22632	15323	33379	33098	28056	43486	51640	43186	15492	14113	17238
alpha-D-Glucose	513534	222517	543396	350744	452913	414266	541900	762674	565743	295903	272808	307944	419358	399920	377784	513781	311296	433526
5-Dehydro-4-deoxy-D-glucarate	662267	449528	628782	503242	486037	664878	670924	417524	599667	401315	465563	479113	393980	446135	511810	404082	724669	556846
O-Acetyl-L-homoserine	252337	214647	158365	278366	232000	198853	250988	201838	181263	69029	65610	74901	442325	285155	263920	279735	271912	229100
L-Dehydroascorbate	609713	785247	3539876	529034	784158	3262249	638674	901163	3098332	3275689	2836150	4796975	4732815	4855554	5775648	4270136	3761626	5875530
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-octadecenoic acid	309837	268103	303031	259963	302543	253741	278297	273890	204107	292349	247207	257168	240794	215381	218942	309276	197113	254413
D-Mannose 6-phosphate	63370576	52413948	43142124	58368612	43873484	44022084	59831700	43333708	43072152	2075862	1751451	1553817	3516035	2692649	2469912	5430605	3907462	3354274
D-Glucarate	412467	373519	322942	369650	357045	292746	385311	370924	309636	29289	25724	20141	34443	37994	30635	38423	30836	25120
Progesterone	141802	133096	133818	118633	136771	117772	310089	271781	244108	531566	644363	549488	151976	150173	120601	844562	859056	942018
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic acid	212673	201583	229229	190789	169941	226661	140166	171533	137362	161915	169061	182818	424421	368008	290386	326518	350296	337203
(R)-S-Lactoylglutathione	113155	72353	71325	76943	74720	79372	94966	78841	78355	20805	44041	45439	158227	128589	147954	70937	108247	89884
D-Xylonolactone	21843378	18821168	15901833	17612732	17674682	15323795	22184808	19140934	16842378	21734004	21409572	17060660	20981954	22744688	17949430	24420754	19078874	18473490
(S)-Lactate	4129218	4691529	4667292	4024386	3885573	4155464	4257196	4635476	4500108	6618107	6453405	6800129	6828755	6701613	6587412	6440980	6166072	6978445
[FA (18:2)] 9Z,11E-octadecadienoic acid	250638	200549	163727	196269	165579	186271	251072	187203	198124	74545	55939	54140	83220	86157	57553	66293	64284	71079
Quinate	81347	79421	98329	72137	60194	98528	92384	56881	74806	55424	54335	86857	49719	45900	86595	45777	51181	94876
3-(4-Hydroxyphenyl)pyruvate	151552	108491	138093	123825	110646	115890	115532	92922	106803	87348	71550	76004	75948	61297	72151	80583	87882	81522
alpha-D-Glucosamine 1-phosphate 2	173871	196107	164490	192777	173346	167511	173591	178779	162528	79778	74746	59501	61896	63585	58358	81244	74894	68269
beta-D-Glucose	548026	557650	476565	500963	428813	441976	531948	468993	393743	410658	661299	389885	344804	366304	347149	784389	929792	611016
Ascorbate	9818671	9197857	6996072	8433086	7276319	6826774	5481435	4148675	4336622	2326218	1956653	2013524	5627911	4801916	4167870	5294021	4656585	3606966
D-Mannose	700134	557650	530649	551012	443133	554867	0	557608	577740	0	629614	413202	458335	408010	407371	770629	929792	767308
Homogentisate	96625	89428	109765	104157	74646	76834	89392	85331	83591	0	25176	0	69997	37194	35543	25759	27335	31673
D-Galacturonate	4684649	4804167	3895682	4802975	3446724	3289720	5267185	4035612	4117504	627028	507585	370864	556086	465693	429958	740670	691339	580758
Hydantoin-5-propionate	106930	128984	109552	109060	88914	99080	136835	129545	113641	1397768	1443922	1237889	1355724	1271386	1193751	1545074	1380436	1297377
5-Acetamidopentanoate 2	1279004	1277396	1520279	1569483	1350525	1710631	1535085	1725976	1715735	932648	870027	1092660	1055835	1044790	1225855	1759201	2041810	1889245
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 2	180988	180213	167364	154999	189083	223762	169218	189454	165224	163367	169779	210730	151868	156108	175123	186116	237059	183087
2(alpha-D-Mannosyl)-D-glycerate	4136087	3086372	2575206	3329693	2625167	2252978	7174914	5055053	5024030	3417600	3190846	2593765	3391905	3004602	2470163	7211191	6766046	5122385
3-Phosphonopyruvate	257888	247741	259959	218507	190677	228421	231669	207522	219691	293224	293513	312400	623979	720627	711265	536913	596322	632057
Phenol	83853	85935	85994	69283	73277	66340	66192	71118	69479	284937	299802	337000	107126	99015	90443	96885	88885	88669
Tetracosanoic acid	145071	154824	165798	149765	107472	121263	104096	0	52840	372253	330065	291480	540490	463125	546246	459045	426636	364776
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	71433	173772	0	69095	129895	0	50488	165286	62744	152801	184465	150512	111980	245009	276648	141794	103584	200036
[FA (20:0)] eicosanoic acid	925725	850432	808299	713154	675931	694764	520296	530043	501707	811465	629017	592064	859262	940184	700585	763096	859015	762613
3-Sulfolactate	192241	158706	88171	140503	124435	85706	85919	88249	66344	232916	238125	158928	343826	293658	228659	331992	302712	221960
Abscisic acid glucose ester	201791	160488	181315	150260	132194	140180	119605	123181	111143	126054	147184	137020	165732	122396	148011	299203	234484	221162
homovanillate	196842	134996	135408	149059	108914	104578	182301	123390	130078	77062	81436	83279	96426	88664	80989	105759	113395	103515
Succinate	657698	548757	632023	471259	386171	554630	501149	464042	572911	1842463	1593229	1735020	2019822	2128614	2010589	2400944	2240365	2467188
N2-Acetyl-L-aminoadipate	32064	30217	30175	46042	40994	40022	32575	34590	37955	145847	62596	127735	127150	76976	114494	171838	135080	143451
Mesaconate	167931	124163	132432	114014	105007	104540	185665	136959	136557	91033	90562	80437	114608	101732	113193	154293	129320	115132
D-Galactose	740386	462062	652702	434556	403818	555952	0	796684	538001	407188	550052	424240	407794	427987	431691	633768	907099	818375
3-Dehydroquinate	79395	59839	54046	52866	46496	42185	76093	58510	52192	62154	65844	59987	79330	39210	79572	98049	79504	72752
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	383959	260284	281882	291438	208522	172177	358306	323240	240762	363560	319426	250405	275135	306452	236696	375932	380497	256127
L-Noradrenaline	119084	81899	57853	63334	59691	64643	67007	58770	52297	52381	43781	35454	61883	52739	58061	59483	61601	54244
D-Alanyl-D-alanine	28827	29843	29435	21184	18414	20436	45886	33160	21524	30377	32167	18423	19087	14680	17328	21388	35894	42573
2-Dehydro-3-deoxy-D-gluconate	4875638	3544513	3247639	2758055	2696832	2365306	5752779	3805869	3269992	505107	545253	389277	454290	445271	393028	463698	828363	675877
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	488951	498748	414001	298949	318727	304012	427482	435636	376584	191294	191398	197008	99686	81538	78176	433635	388493	362843
N-Acetylmuramate	52261	37952	40298	26405	31536	27545	40685	32818	30959	27159	22741	12999	0	7542	10200	62160	75210	79953
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid	367579	423170	344979	238744	237316	217393	167744	175074	194224	387652	396881	339310	484949	530239	545575	769880	888984	954779
L-Cysteate	178958	186114	170190	109202	104084	101661	117262	99009	97703	271844	347685	273064	625174	656487	584113	384718	435876	367195
Hydroxypyruvate	580175	634161	624281	327157	298671	389169	528876	542678	685681	396301	362363	520937	595836	512331	648438	970886	777067	277492
2-Oxosuccinamate	27269	0	11734	19425	0	0	79383	58025	53189	198262	174143	152015	19917	0	0	260097	324349	301852
LysoPC(20:3(5Z,8Z,11Z))	143835	146381	167617	49451	45535	45441	0	0	0	50199	58300	70604	63736	0	78236	0	100841	84073
[FA (22:0)] 13Z-docosenoic acid	130679	79791	115342	0	0	0	79210	60563	90559	103280	188100	127661	139067	227439	227412	139994	137885	117179
Iminoaspartate	0	0	0	0	0	0	126549	102421	52193	255935	292458	287014	0	0	0	268043	289966	396100
Melibiitol	0	0	0	0	0	0	0	0	0	38553	37001	43882	51275	43002	39557	65330	40962	38315
3,4-Dihydroxymandelaldehyde	0	0	0	0	0	0	61525	46648	63398	0	0	0	0	0	0	49402	31640	26779
5,6-Dihydroxyindole-2-carboxylate	0	0	0	0	0	0	0	0	0	0	0	0	957236	793034	662373	182245	106546	102139
Asn-Gly	0	0	0	30542	51974	0	0	0	0	69874	73804	53127	152548	116113	126061	91740	74964	100161
Sulmazole	11690	20243	9836	39838	21469	35429	8517	0	0	0	0	0	89141	89455	85384	24255	26332	27984
[FA (14:0/2:0)] Tetradecanedioic acid	86649	48189	50107	123820	134998	141194	101669	110207	77924	51523	43256	69213	36025	66527	45252	112055	119166	88081
N-Acetyl-L-leucine	222882	234317	306132	646478	539588	449004	210970	235791	214271	300745	259546	326240	308552	415388	345891	570105	514740	627873
2-(sulfomethyl)thiazolidine-4-carboxylate	34783	37396	33908	70756	75986	74682	57710	60785	65649	283577	241692	237362	111218	107207	115310	340932	326947	355495
uridine-5'-diphosphate bromoacetol	288139	456092	432218	644180	831296	705280	0	30184	45946	12787	4456	34761	2645133	2764559	2451149	95812	6313	19883
Cantleyine	1211873	1009013	1182705	2308953	1922811	2056484	1032654	880841	911063	981585	919199	1180910	1735183	1460880	1431776	1697716	1560954	1285629
Glu-Cys-Cys	27192	13305	15754	33749	25116	35065	30374	35768	15014	75334	83015	81035	60771	52724	56850	74363	85742	81729
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose	163795	421943	350432	360620	581921	598978	174900	479499	620829	390846	318607	550821	392033	341782	400430	406527	0	0
Flaccidin B	149195	357911	142296	384163	372356	291807	1335990	1576809	1308533	4535445	5056571	3257212	153215	185173	0	3882577	2539408	1803127
Capryloylglycine	103180	77168	158612	210661	166928	138690	127681	83473	141574	77973	62123	170713	140785	63995	97567	127798	98282	110105
L-Cysteinylglycinedisulfide	0	0	14780	0	0	21760	0	0	21317	0	0	37085	0	0	30717	0	0	33649
Farnesoic acid	569407	481809	549841	771205	751701	718636	112123	248567	332488	939113	813879	629547	731197	804034	787146	813468	722526	821179
12-Hydroxydodecanoic acid	61050	71336	76993	104971	112871	66043	102614	70395	54709	49984	88942	82504	100191	75654	78301	91805	90486	93140
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate	100189	111129	128499	167676	147295	130951	119585	112756	104228	126405	95307	115358	210687	235113	188290	147014	152306	116783
2-oxosuberate	29768	25660	29020	52857	23416	30725	50559	35788	56663	26146	29722	24842	30695	28793	25188	39292	59221	33583
perchlorate	78754	140648	77942	71695	185272	106860	192531	224519	234267	163084	130898	113179	264993	374145	265614	222591	194812	224341
ethanedisulfonate	422177	340029	333936	456496	419639	452858	425477	397986	445644	856390	826157	757884	887617	665966	672869	886083	943907	855325
HEPES	428586592	343239968	354553120	501978464	432833216	426000032	435253024	365691904	333297440	922285440	905211008	833156480	891483008	870521408	807937920	968287040	987565824	934866112
L-Erythrulose	309069	329500	333569	364978	331352	470726	368503	384512	435742	210024	289663	181318	200838	190801	193684	199135	169273	228205
2-Ethylhexyl phthalate	6399931	5628288	6160488	7263372	6927703	7302632	6360908	5777591	5678375	5589786	5596313	5179604	5816023	5998770	5621631	7611226	6508282	5366097
L-Hypoglycin	97172	91946	66226	114864	82517	102767	271301	179991	170856	103218	89563	70389	72072	67467	59027	158677	139823	95314
N-Acetyl-D-glucosamine 1,6-bisphosphate	81096	88367	97247	105920	101466	104256	55197	72410	85696	73851	67989	88179	251128	242161	229406	228917	194656	224949
Sulcatone	1498926	1333249	1467320	1672856	1655426	1656522	2228645	2214625	2283009	3677720	3388880	3743308	1905160	1803777	1975081	2316358	2383452	2215634
Met-Gly-Arg	126905	89537	87682	138476	106354	100311	0	105460	88048	61141	72749	51960	69105	59832	62068	84612	79664	53907
PS(19:1(9Z)/22:2(13Z,16Z))	82825	62507	85745	78735	96238	83078	125921	101706	90500	558084	565142	468104	497366	482388	346187	452201	393820	378973
CAI-1	429680	422342	388157	436835	494233	442333	383139	360208	342325	377162	328815	297056	667059	722945	659185	439365	408754	458418
5-Deoxy-5-aminoshikimic acid	9776	14187	31197	10192	19461	30518	10324	14765	33432	129477	134494	141157	775513	679955	782654	733224	665943	623983
[FA (11:0)] undecanoic acid	336530	310497	320842	345250	367536	331076	295819	286331	307164	348259	337515	334913	523428	544612	550884	370582	427725	387428
N-Glycosyl-L-asparagine	394848	413230	289592	444073	448092	289579	428766	360571	355342	178861	159627	125812	899738	706387	547501	757144	776252	665260
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	153242	187081	225830	171489	213643	221795	133379	148059	149185	254788	247130	226290	225092	191526	209185	129004	115361	156474
Arecoline	138971	110021	120189	151927	108053	131612	125927	142477	153092	133599	130516	158092	117757	151222	123900	186628	147266	162323
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol	373919	332252	298178	345920	378252	337114	441893	338744	333021	458913	451509	414926	306456	307948	290571	567620	453059	423576
Norepinephrinesulfate	126123	135613	132999	142284	144740	129488	96398	107766	116767	0	4146	5053	12094	13121	11193	12743	16773	14418
Vinylacetylglycine	39257	71253	154466	53697	87505	164607	60678	73704	84150	132690	112893	133115	69154	96017	70977	144939	181929	162227
3,4-dihydroxybenzylamine	4826340	5402164	4931473	5499078	5545239	4753475	5290568	5829051	5719394	5222554	5439511	4967321	3301212	3214861	3335664	4768184	4069678	4283184
Apiole	724770	586989	584636	683076	635012	654924	646395	540720	702181	595470	541242	620852	669248	655315	608006	582800	569908	489359
sodium dodecyl sulfate	11987063	10274653	11176538	12180096	12413019	10147760	8042438	7551642	7257791	15307823	13876563	13364042	239266128	242114368	216822928	11274458	10024982	10232985
Otonecine	207690	317674	290718	212193	328153	299293	93846	171677	216601	322611	229208	309548	375100	430390	422322	0	373731	409615
Ala-Asp-Asp	18046	18329	21695	18925	18517	22160	21587	20075	23980	756877	649621	580666	476757	524211	437985	559559	567124	546576
[FA (13:0/2:0)] Tridecanedioic acid	182403	167596	135129	180233	168338	146400	199731	129973	189224	123248	173422	177113	117625	151831	138182	199018	179535	150159
3-sulfopropanoate	177845	135458	131323	190763	116081	144375	152393	124421	109179	221048	192698	174125	190434	162042	144020	198227	173927	177829
Glycylproline	66556	70564	82635	62500	77186	82483	160979	153255	116000	352109	319624	262757	222150	194120	173541	447734	417635	336486
Laudanosine	189601	179780	142240	209712	180784	124390	0	0	0	0	68021	54958	117604	0	0	0	0	0
(L-Seryl)adenylate	9694107	7828370	7260882	9723279	7969759	7164607	8930694	7396182	6103041	724673	683384	553213	768398	607191	556826	827441	701961	640256
Pentanoate	234034	162529	270555	189023	227759	251307	220542	214829	254708	197681	283668	302882	325046	283046	364176	308315	369739	322147
nonulose 9-phosphate	100529	93338	90303	98059	92628	92798	119121	108462	103358	495048	499162	470227	332159	320328	306965	544143	468799	459009
Glu-Asp-Cys	75300	60109	52153	70717	56857	59112	262249	211844	177300	268092	264479	239250	45526	31419	32255	445245	417139	393280
2'-Deoxymugineic acid	82324	57445	65943	80366	57331	67028	41638	34866	37311	17072	20384	20094	27198	12348	10799	27551	22684	0
2,2'-Iminodipropanoate	118358	118844	154699	103976	135115	148468	102388	95009	128571	537442	618038	523122	638436	638846	574378	714173	761620	790579
Glu-Leu	127235	106293	117837	129174	103452	114259	138468	105216	86206	167647	157444	136676	183291	176065	149744	157892	181318	181894
Asp-Asp	194560	213247	194598	206060	202370	184196	244968	212784	204600	802216	767023	725187	661265	684218	627745	808100	803933	724201
Ecgonine	493326	448809	379134	437246	395241	419913	438611	389274	404018	117380	105266	121133	118322	121504	117274	140377	111423	93582
CoA-glutathione	26319	23920	24149	25077	17454	26497	20905	19712	14160	0	0	0	105247	91499	102775	32441	29436	32847
4-Methylene-L-glutamate	143745	93988	94618	121256	85022	100179	116301	88007	90608	114827	113778	112764	121159	120824	111086	123761	142946	135374
Aspartyl-L-proline	39626	30375	32756	34504	27112	33032	55404	25207	27586	1340524	1270202	1134906	1143247	944435	829045	1393532	1147083	977622
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	99803	79421	115018	81046	77888	111412	96096	68812	113127	130533	135985	132083	243752	168779	192154	178999	162903	205377
Vanilpyruvicacid	115122	102957	141887	117442	126407	86453	105540	66695	110583	77094	138322	124796	83154	138133	112416	93092	137167	103288
Cardiospermin	101991	80852	108118	84278	72682	109819	104101	76588	121006	20987	17604	88713	0	0	67499	55284	25339	87656
momilactone A	160291	139691	135645	132219	152569	114065	139153	131681	101390	152553	140193	132034	330264	323893	272670	223637	219180	231013
4-Hydroxyhexan-3-one	1031153	1100042	1354901	947990	950564	1285972	875649	957757	1078272	978380	971004	1319194	1284016	1279904	1583345	1498531	1578441	1983771
Arg-Leu-Val-Asn	38922	36504	42029	37262	35328	34604	39932	33533	41081	247224	232629	245447	235407	225652	248332	218811	229025	237170
Phenolsulfonphthalein	81418096	72640976	81758944	71808376	72659616	70043288	79881624	63907424	57978084	51230764	46924124	44161456	44899712	40232176	43524464	50245796	35813308	53389520
[FA (11:1)] 10-undecenoic acid	78075	76539	83177	57955	71577	85136	91025	80007	101829	68422	67471	71965	124789	103729	133078	114029	105306	119208
Glu-Met-Met-His	1311845	980550	898814	1095784	951814	828713	1214840	1133894	918672	1178363	1184500	1058293	269919	270866	241972	817947	738914	618458
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	69459	56745	32776	54339	44045	44515	99552	62137	50673	85315	90203	76856	129950	140041	101468	123025	94774	92068
(6Z)-Octadecenoic acid	399598	306514	335292	316146	278591	340114	353156	296839	304553	240038	321760	223874	247124	298081	291797	227099	294820	268028
ancymidol	362246	308807	308646	343850	266107	268941	372310	312481	365453	254185	274034	292686	178008	166072	141420	195393	192249	176531
Fagomine	1262979	1039420	886918	1128134	896402	816455	1187818	906730	880352	424194	426502	354853	464400	381656	362359	433175	466823	396400
hydrogen iodide	1454108	1106396	1177441	1247479	1019649	1059061	1356895	1131519	1000218	333759	207666	202482	372898	229192	192190	370612	169758	129029
PI(36:2)	355837	290794	243410	305251	238133	245139	404575	239871	160340	223194	302359	194601	295680	0	236455	0	0	0
N3-fumaramoyl-L-2,3-diaminopropanoate	312764	198579	185488	322434	138708	150363	266468	170422	193570	395851	422166	253660	376273	286519	284483	776499	578278	472979
4-Nitroaniline	60222	48448	73535	50324	38400	69899	81852	80901	87302	136853	133728	116287	29821	25461	47822	27387	36533	47263
Cys-Met-Pro-His	145287	134696	187137	130634	123284	152453	152277	119815	162064	126002	142053	177874	136732	121860	164618	239314	208690	266440
Monomethyl sulfate	1342063	900530	981676	1000642	878136	906177	1251448	992295	886093	1204319	1188023	1158078	1019771	1093777	992516	1093641	1334386	1353082
metabolite 1	1089289	1090386	899230	952469	897068	796065	777668	706305	737752	784869	780749	860698	770241	737906	754187	830369	671749	620672
Asp-Leu-Lys-Lys	19064	20708	20682	18921	16165	16708	22958	19606	17758	110348	103435	91252	102001	84774	90224	102355	97569	89742
ethylpyruvate	105123	122020	296819	113928	101998	231996	90247	123834	217558	228818	288391	453288	274640	330536	535964	303694	250039	377844
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)	137136	138196	106891	119698	105837	100586	116661	95008	96964	608304	731206	416884	824744	766705	702424	898061	778762	808397
[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	286361	294315	305357	280984	240570	234330	277216	274443	259358	302716	311751	269734	274349	316050	256504	298474	340246	317404
dXMP	2950313	2833895	2753819	2565647	2466530	2185677	3313137	3064465	2960079	5268397	4948768	4783064	5271258	5124461	5117441	5549448	5678182	5237850
N-Acetyl-D-glucosaminate	1529485	1138068	1021534	1147650	1055259	890894	1378467	1071757	868405	122341	112658	99208	486976	406663	307431	296202	308425	250441
alpha-D-Mannoheptulopyranose	126106	105941	95307	99946	99866	73039	147699	94926	79197	0	0	0	0	0	0	0	0	0
Arg-Cys-Gln-Tyr	561871	433641	384104	454129	373476	313960	569114	411275	465202	352738	376444	313492	411260	294355	307928	367279	352461	277679
Muramic acid	481541	433729	342257	580067	450768	353804	511032	490925	331118	62413	57356	47843	835036	575329	517907	642388	654334	447485
[FA (13:2)] 3E,5E-tridecadienoic acid	163796	177367	192445	133384	164185	141683	163875	202151	118305	142695	135807	170582	159829	121174	141397	154697	222179	141480
N-Acetyl-D-fucosamine	382120	418494	319309	281421	340405	296719	402477	354591	313136	79178	99241	84980	87760	83046	95858	81949	117840	115682
[FA (20:0/2:0)] Eicosanedioic acid	168671	148364	139319	136495	121943	114260	115853	139912	106513	84665	96606	123608	0	0	0	170231	167483	140136
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic acid	2902409	2417491	1960932	2314856	1790565	1822903	2532837	2217117	1950920	29676	22749	0	40597	37986	22616	45467	37597	37944
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid	195133	142785	361048	134105	167888	265805	206790	204918	305238	169150	178020	305615	262724	298155	267405	155356	233490	282410
2-trans,6-trans-Farnesal	352120	444305	409185	378752	284810	313782	393685	386715	358424	286830	247157	290614	250472	296567	258778	246795	236728	250916
[6]-Gingerol	16339043	13935318	15101531	12741572	11759609	12036480	15542979	13319728	11828441	14961541	14396084	13641002	12072495	11800433	10391661	17616768	15733390	16410971
2-Dehydro-D-xylonate	81283	63274	70250	79545	70170	82569	112159	90999	78466	54731	59651	44166	56627	42766	65227	94030	73102	83497
penem CGP31608	137477	69694	146156	80629	142666	57369	131898	118938	114641	96978	53419	73937	0	0	0	91225	71122	77053
Quassin	26023	25658	34660	23101	26831	18400	18525	25014	17403	27049	17337	22129	40351	0	27101	47293	29693	24518
His-Met-Trp-Ser	142886	77596	40436	91598	60331	52131	108884	41407	0	0	0	0	88329	78219	43020	0	97859	77341
[PR] Citronellyl acetate	116578	83927	61743	59577	71500	68962	78534	94465	73743	132539	159880	140543	120389	113536	121268	196658	145105	169138
Glu-Glu	0	0	51309	0	0	38961	0	0	48232	46755	32771	126615	38124	37778	63091	36749	38391	83799
trans-4-Hydroxycyclohexanecarboxylate	208852	373204	256700	111496	282072	243248	139753	191982	176934	210685	228861	200065	224484	244504	333941	249422	172481	245073
[FA (17:0)] heptadecanoic acid	2816821	2674373	2888851	2176588	1839334	2259329	2157886	2239526	1907324	5149951	5038869	4837387	4381011	4104053	3688864	5526937	5007529	4746066
(4E)-2-Oxohexenoic acid	50150	71847	51555	48513	30867	50109	53924	42761	70983	44449	44641	54024	81640	42431	58240	77152	72023	96026
2-hydroxymethanesulfonate	285112	247885	206599	199791	187926	160215	259446	221033	153312	63395	87932	61182	81872	61383	57757	108655	118621	77590
Diethyl 2-methyl-3-oxosuccinate	162768	215654	146317	111859	136207	139904	212151	127872	153894	139897	89697	122536	214467	156672	147681	217326	207157	151451
L-Ala-L-Glu	65336	40404	147720	99541	92042	112366	122440	74312	107863	213753	265707	239389	159068	92267	120816	186491	167488	213313
glutathione-sulfite	139099	131721	105633	98840	94078	80746	67676	59247	69269	5954	4248	15727	338059	292841	258982	52356	46689	43190
Nonanoic acid	9536431	9155552	9556509	6843684	6807039	6838493	7606309	7731071	8757627	7397417	9250111	9272613	8362877	8384725	8629462	11025470	10732395	10838687
[FA methyl(6:0)] 2-methyl-hexanoic acid	810337	835938	941797	593900	609901	667665	646216	688572	776210	736803	719129	870724	831490	899164	890786	1058348	1048662	1197788
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	67972	52240	55702	79071	45958	47352	95670	85952	69670	34802	44436	20180	55797	63551	52592	71482	93280	98292
Capryloylglycine 2	103180	77168	158612	210661	166928	138690	127681	83473	141574	77973	62123	170713	140785	63995	97567	127798	98282	110105
N-Undecanoylglycine	331434	290378	324535	269567	246671	247764	296485	226258	239088	166938	199800	216398	376491	286598	292075	251174	242324	256254
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserine	749064	821649	1039434	506820	493161	734500	310307	351989	441396	132261	132448	109981	633677	675709	655138	387346	519819	648353
Cys-Thr-Ser-Tyr	44199	110979	122209	56256	66137	57774	205668	161236	193533	416427	374929	295499	75178	83958	156963	241924	280026	226688
Dehydrojuvabione	538974	511611	459042	363506	297586	313552	203767	245940	169769	293969	272490	234489	235475	129202	128346	294136	343872	383253
Glu-Asp-Met	75541	68836	65411	47634	52018	34920	94285	95915	84179	0	29058	22615	0	0	0	35770	0	0
2-Oxooctadecanoic acid	1345393	1261914	1231709	899634	718802	822308	750823	654181	614594	1388173	1303270	1263360	4909146	5016452	4234766	2417616	2386002	2520581
3-acetyl pyridine adenine dinucleotide	39348	31646	16133	25166	18083	11875	91680	60485	43152	40497	24859	20430	75005	59207	43563	225862	166775	91902
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid	396991	296783	221271	216037	195333	164981	431207	236455	175806	336564	343711	269656	250705	242557	228253	253340	459675	436230
Diethyl adipate	472687	349509	423224	262545	240549	224308	466075	468189	460867	414694	550827	527008	245347	265150	270090	407145	464885	478508
phlorisobutyrophenone	52015	54239	96278	44581	40349	30163	49120	47556	39123	55262	55513	44024	70188	56112	94911	76377	58433	55144
4-Propylphenol	171269	159824	151349	89012	71348	105363	139249	135713	147751	354205	355164	426025	167811	124981	128198	207289	214570	184098
Furfural diethyl acetal	178439	112743	151951	65049	78698	83010	80581	79597	69073	213672	153685	163583	369333	317640	327836	763305	615088	424733
[FA oxo(8:0)] 3-oxo-octanoic acid	267718	268925	264531	94175	103568	208148	91957	70723	96097	308994	287278	334339	345141	378186	350383	519538	485198	525411
penem CGP31608 2	137477	69694	146156	80629	142666	57369	131898	118938	114641	96978	53419	73937	0	0	0	91225	71122	77053
Tauropine	171302	134666	128970	76172	83860	55309	0	0	0	176167	158265	147964	391636	326187	291259	541793	496053	500936
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid	1681466	1573204	1470876	762050	746548	711822	2071125	2041537	2004337	4075398	3712898	3511409	984332	902957	885319	2016254	2172987	1887743
1,4-Bis(2-ethylhexyl) sulfosuccinate	766411	664612	667039	343018	282735	269149	314375	254965	338911	415472	349637	416891	243360	268426	233916	466143	380092	424189
2-Aminomalonate semialdehyde	28076	38684	40153	25819	0	0	40581	22475	27443	98965	78627	122576	92993	78809	106628	120917	161069	142000
A-Ketoglutaricacidoxime	25945	16037	13986	12459	0	0	12337	14869	12163	78698	87709	88161	86995	95686	89006	88880	123211	108655
Zoxazolamine	16696	10586	8555	5696	0	0	7687	0	0	45137	35102	38686	12248	10496	12468	28368	41941	32874
N-Acetyl-D-fucosamine 2	382120	418494	319309	281421	340405	296719	402477	354591	313136	79178	99241	84980	87760	83046	95858	81949	117840	115682
Diethofencarb	53182	52207	76645	0	0	0	0	0	0	135916	141659	103578	837810	808379	794178	407996	452356	348671
Glu-Cys-Cys 2	27192	13305	15754	33749	25116	35065	30374	35768	15014	75334	83015	81035	60771	52724	56850	74363	85742	81729
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine	11102	0	0	0	0	0	0	0	0	111167	81772	91568	107070	86840	87987	116759	127520	124211
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic acid	0	0	64021	0	0	0	0	0	0	0	0	0	0	0	0	65652	112413	67949
Cys-Met-Met-Phe	0	0	0	0	0	0	24005	0	0	516796	637406	169846	54807	64350	36300	200301	455849	376311
(-)-Medicocarpin	0	0	0	0	0	0	0	0	0	158725	173083	122458	232414	182928	144610	406570	517559	406330
Nitrilotriacetic acid	0	0	0	0	0	0	10213	0	0	103491	83075	89333	8824	12107	7614	189210	193924	233820
(R)-AMAA	0	0	0	0	0	0	37968	21358	26538	191933	154042	182028	19286	0	15654	287526	336013	304559
Asp-Asp 2	194560	213247	194598	206060	202370	184196	244968	212784	204600	802216	767023	725187	661265	684218	627745	808100	803933	724201
Glu-Glu 2	0	0	51309	0	0	38961	0	0	48232	46755	32771	126615	38124	37778	63091	36749	38391	83799
Glu-Met-Cys-His	0	0	0	0	0	0	0	0	0	76798	0	0	76374	0	0	95903	74330	66977
Leu-Asp-Gly	0	0	0	0	0	0	0	0	0	99215	95141	76303	95331	93052	75839	95328	104184	97411
PG(36:3)	0	0	0	0	0	0	0	0	0	1140094	1158641	897268	1054633	912827	854636	975857	855059	796930
Asp-Met-Cys-Cys	0	0	0	0	0	0	0	0	0	656388	555784	575572	710812	558743	490776	669186	664054	514304
Asn-Gln-Tyr-His	0	0	0	0	0	0	20033	0	0	0	0	0	0	0	0	0	0	0
UTP	0	0	0	0	10213	0	0	0	0	81557	91985	86203	899001	779655	837353	590125	575552	585445
LPA(18:2(9Z,12Z)/0:0)	31698	0	52596	103800	66772	62470	37197	0	52426	0	0	39007	48079	0	0	0	0	55773
N-Acetyl-L-phenylalanine	276552	183739	167965	404581	438454	488939	123542	89975	198876	217809	250786	256365	252754	275515	259842	408004	243977	379508
N2-Acetyl-L-aminoadipate 2	32064	30217	30175	46042	40994	40022	32575	34590	37955	145847	62596	127735	127150	76976	114494	171838	135080	143451
L-Arabinonate	4353936	3847751	4045513	6024076	5457819	4995764	3324925	3976571	3704483	958904	815830	757856	1020711	858241	889732	1306006	1133640	958117
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid	162795	145011	121578	168208	163139	223337	138065	101435	124610	160555	217349	151895	262741	248479	290859	207062	273251	242403
N-Acetyl-L-glutamate 5-semialdehyde	562650	482987	520367	709430	588663	661280	1554252	1686684	1762372	3393531	3494088	3834676	411083	405118	294497	5142353	4754518	4781645
3-Dehydrocarnitine	97242	243110	142274	140480	202717	250948	118960	177267	212851	82811	214754	230323	95444	187715	199625	106483	254809	244217
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide	199909	152445	173395	243126	202477	190767	201404	186521	175547	0	0	0	0	0	0	0	0	0
LPA(0:0/18:0)	796125	565058	556801	807894	738255	743876	762347	820575	407561	601907	630104	566491	620628	546518	583181	589593	712828	742490
Cyclic ADP-ribose	1808461	1563411	1455047	1987715	1776143	1742886	2276235	1968475	1817275	3915646	3554928	3477605	4804407	4273454	3745777	4611262	4114563	4090067
O-Acetyl-L-homoserine 2	252337	214647	158365	278366	232000	198853	250988	201838	181263	69029	65610	74901	442325	285155	263920	279735	271912	229100
Maleamate	147115	150641	229793	178368	185937	233522	143839	228601	322290	383801	337607	369851	80845	55919	80814	567328	461874	556531
Sinapoyl aldehyde	80359	34214	62381	71836	56314	71563	33463	68987	58399	75091	30751	69962	0	42814	45902	35675	42169	34164
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	2086525	1750357	1500405	2281853	1541216	2171780	2156355	2122874	1959374	1992188	2108718	1306055	2191791	1907485	1769939	2065406	1929661	2114938
2-Aminoacrylate	5999	5004	6196	5920	7916	5283	8542	4181	5009	38604	40596	37259	186350	152688	153357	174158	134420	151837
4-Oxoglutaramate	16457	16948	23310	14480	19839	28722	13428	16350	20622	56932	54903	67754	81638	80124	90584	93957	83822	91796
3beta-Hydroxyandrost-5-en-17-one 3-sulfate	453677	410429	440154	512620	454924	468520	370894	414809	398057	359110	340891	303306	331554	280458	274153	321680	330448	360876
Urea-1-carboxylate	38857	17933	46190	56310	26843	29294	43089	26285	26967	28948	17930	43246	35689	32608	37947	61265	32054	30147
L-2-Amino-3-oxobutanoic acid	135169	191229	108545	176250	149407	148197	52255	74836	72999	178954	164567	136224	117981	146525	166163	102268	137189	110711
Icosadienoic acid	58254	0	57508	0	56166	69240	0	124908	0	0	113115	0	150428	186055	113911	88256	90981	105393
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphate	1207073	860728	743480	1248295	739502	1032357	1146476	1075781	1011390	1116795	963212	546777	988518	946358	909909	1116031	822776	944984
Oxoamide	49899	49993	58256	43010	55160	70742	42570	51931	72912	69542	68368	95660	50006	45467	62540	64226	62263	100970
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	153128	147112	108208	145022	134161	152733	162678	182251	141330	249388	287340	272613	417787	405519	384439	349902	361871	267946
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	24559	24619	22913	25146	26462	24225	18436	17762	25467	580402	526720	549479	3673605	3321331	3256115	2941850	2830597	2776872
N-Acetyl-D-glucosamine 6-phosphate	376784	285524	238175	323926	301932	310694	329423	246769	246642	1819100	1935549	1572906	1975078	1750878	1556926	1842242	1629433	1560470
D-Xylulose	1691166	1444733	1455828	1525263	1757027	1485352	2774192	2543901	2589829	1410994	1374497	1428800	1439643	1368979	1236451	2939362	2626768	2696957
Sulfoacetate	284125	284604	209835	330061	254912	221004	261364	246835	191600	371925	330307	255256	341225	319327	277872	377238	313741	271447
(S)-Methylmalonate semialdehyde	10299186	9551254	9755444	9777853	10456316	10389255	17876498	16426361	17714450	9858170	9431196	9362569	8865524	9143009	9163862	19500334	16554563	18572768
N4-(Acetyl-beta-D-glucosaminyl)asparagine	95428	1050564	1403569	128667	1027699	1476099	106921	2201068	2770669	44424	607117	720634	50087	253447	530705	52977	1076708	1495319
Sulfoacetaldehyde 2	101057	68941	67105	80532	78561	98613	100530	90145	92369	360466	270305	369968	371615	367242	402518	395940	451828	348336
2-Acetolactate	3583424	3076821	3314696	3434874	3642455	3145969	6326971	5344552	5625133	2797184	2930744	3086095	2824963	2710463	2977946	5606884	5256540	5421667
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	71677	100012	74731	89620	72115	89873	98425	84406	89207	69449	104046	101568	77285	47874	83486	56996	45572	96932
N4-(Acetyl-beta-D-glucosaminyl)asparagine 2	95428	1050564	1403569	128667	1027699	1476099	106921	2201068	2770669	44424	607117	720634	50087	253447	530705	52977	1076708	1495319
1-Aminocyclopropane-1-carboxylate	49199	116007	104095	59828	115028	97546	33587	102467	110609	86898	105960	65378	53094	113687	78916	37617	104427	117230
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	731063	573617	545115	660960	652724	553470	798565	601538	548488	342450	248366	203003	372057	289054	250957	362649	321870	264224
2-Hydroxy-2,4-pentadienoate	10451760	9736967	9458892	9994490	10504738	9414455	18738608	17074950	17844982	9651865	8714092	8609721	8862418	8644310	8554852	19859980	16717965	16967788
LPA(0:0/16:0)	1534573	1159134	1195704	1618593	1200217	1102624	1657586	1203801	947745	1176875	1080625	976760	1130895	871924	1001085	1026522	972268	963561
2-Dehydro-3-deoxy-L-arabinonate	330119	276513	283898	308060	284321	304865	309755	236597	284332	332762	300458	235487	295641	257799	267808	274788	274240	245691
D-Glyceraldehyde 3-phosphate	37716	33926	27692	35698	38271	26077	72151	39064	46745	181630	141062	150683	81571	104913	54651	188864	152602	87807
2-Hydroxyethanesulfonate 2	308154	264334	352749	295839	237516	396299	305619	276166	370682	291863	234544	310604	301381	278658	461612	297441	338693	549269
LPA(0:0/18:1(9Z))	624858	597164	508206	657207	466173	613349	613517	581302	605490	613277	599070	431007	677773	679637	592293	610588	542975	611489
4-(2-Aminophenyl)-2,4-dioxobutanoate 2	176824	196557	381468	512686	315747	305972	920993	743041	920358	1472854	1189082	1475452	0	0	0	1926857	1919578	1979146
Sorbitol 6-phosphate	17446420	13788729	11439836	16821352	12662967	12911526	15944757	11435403	11177440	6259330.5	5229076	4045799.5	8706218	7145689.5	7056418.5	9810390	7549284.5	6521226.5
LPA(0:0/18:2(9Z,12Z))	192918	175383	154086	163410.2813	175908.4219	179402.375	146990.0938	151832.6094	133223.1875	160128.9688	127101.5938	128840.875	208789.5625	165494.0313	166678.7813	178290.7813	162792.0469	159165.1719
L-2-Aminoadipate 6-semialdehyde	319006	333467	287428	312256.5938	292603.7813	321815.3125	349394.6875	373659.125	400109.25	228201.3906	273618.875	259517.3438	268975	342655.9063	228641.2344	556922.6875	286269.5313	385337.0938
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	1692486	1404212	1280637	1593039.375	1423574.5	1278007.875	1985365.25	1724894.875	1342134.75	2307990	2425222	1748896.875	2630418.25	2319937.5	2031220.625	2004494.625	2131508	1394697.375
Maleamate 2	147115	150641	229793	178368.0938	185937.3438	233521.9375	143838.5625	228601.1563	322290.2188	383801	337606.5313	369851.3438	80844.83594	55918.75781	80813.83594	567327.8125	461873.5625	556530.75
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid	759526	746034	692354	804493.75	727422.5625	599341.0625	787091.5	755764.0625	864064.25	849427.9375	902972.3125	645673.625	1046554.5	1010711.313	893805.875	847851.0625	835227.75	872674.125
1-Aminocyclopropane-1-carboxylate 2	49199	116007	104095	59827.75	115028.4531	97545.55469	33586.89063	102467.2656	110608.5781	86898.21875	105960.125	65378.48047	53093.96484	113687.2344	78916.32031	37617.14844	104426.5703	117229.9766
Linoleate	4620986	3928315	4326377	4389342	4040853	3832006.5	3267670.75	3545805.75	3316579.75	2745236	3014854.5	2697711	5232514.5	5143002.5	5260463	3624040.25	3492620.25	3641886.25
2-Oxoadipate	213142	197366	191486	197146.0781	212609.4375	158893.0781	221333.6719	169168	164970.4844	262679.6563	184857.7969	148408.7656	244086.9375	224213.4844	218402.1094	331188.25	272142.7188	253762.2188
3-Methylbutanoic acid	741316	734474	951490	686305.375	721762.0625	875674.875	660856.3125	665546.5	856462.875	962674.9375	1330832.875	1361227	1506426.625	1203245.25	1612435.875	1148801.125	1438893.5	1661501.25
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	470117	376754	351955	459693.8125	391516.9375	271266.5313	522120.5625	425916.3438	298463.5625	390829.3438	369628.0938	230325.3438	268497.2188	201941.4688	181517.375	268011.9688	240650.9219	155923.4063
L-Glutamate 5-semialdehyde	144808	125742	131690	137033.25	121730.3047	117186.9766	178086	131599.3906	106723.0156	83565.57031	99842.38281	102836.0391	210915.1875	173768.7969	154369.0625	183167.8906	212309.25	164549.1406
[FA (20:0)] 11Z-eicosenoic acid	195298	140018	205897	193395.5938	134119.0625	166718.2813	155617.25	142048.7031	129112.7422	79456.73438	183701.3906	197401.4688	276266.8125	252026.4063	289488.2813	209251.375	251490.4531	76069.50781
N-Acetyl-L-glutamate 5-semialdehyde 2	562650	482987	520367	709430	588662.8125	661279.8125	1554251.625	1686683.875	1762372.375	3393530.75	3494088.25	3834675.5	411082.875	405118.0938	294496.5625	5142352.5	4754518	4781645
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate	688409	587460	448802	587247.3125	523755.0625	408176.1563	606357.6875	453093.3125	428781	114802.1094	119340.2031	97693.86719	153555.8281	100460.6016	107655.6016	174415.0625	164208.0781	107007.6953
Glycochenodeoxycholate	260068	259341	222415	223633.0156	222985.3594	206540.9688	277624.9063	259549.9375	217797.8594	246463.3438	236698.4219	237635.0625	202930.875	238135.5	182175.7969	233344.3438	195102.5938	259878.2969
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid	59988	43507	54476	75638.60156	31715.52148	31567.48047	31135.47266	0	20498.28125	46234.64844	57132.01563	30151.51172	201633.5781	153904.6094	192990.5781	198962.0781	228737.3281	123744.7734
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadienoic acid	390509	447830	465484	397755.375	358066.6875	390475.3125	229313.2969	290683.3125	279768.8438	595218.3125	607188.625	542985	2791398	2559252	2324743.5	1146415.875	1011749.75	1039460.438
(9Z)-Hexadecenoic acid	1629760	1345987	1479322	1246334.5	1205038.5	1404995.875	1174281.25	966409.625	1125079.75	1129336.5	1222183.125	1064794.5	3558536.25	3002623.75	3135280.5	1734918	1663728.625	1726244.625
N-Succinyl-L-glutamate	347951	311803	293525	282605.375	304065.9688	238193.25	185958.875	166768.25	167895.9063	83761.89844	78251.30469	107875.9219	91621.60938	104540.5078	67141.70313	199837.9531	157540.1094	126636.3203
Oxalosuccinate	20722	8052	9663	14394.83691	9817.902344	8964.541016	7819.76123	0	15063.30762	21214.66211	21358.74219	19527.71094	165685.125	111253.9453	115919.5391	89108.33594	82326.25781	79602.82031
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate	1157300	1111954	932320	1121876.25	843201.75	782993.25	1017712.75	973991.5	749800	228579.25	205798.0938	201507.2031	329010.5625	361268.3125	262153.3125	399452	297221.2188	236904.6563
5-Hydroxycotinine	140268	136045	202363	135466.1719	128687.6094	141749.2969	60176.85547	79434.01563	216274.3125	207674.3594	205585.5938	196026.1094	99955.70313	125853.9063	112642.375	121692.125	116534.5234	196111.7344
N-Formyl-L-methionine	489001	511558	624175	405673.4063	469649	493190.9063	415397.6563	476189.9688	444867.6563	359335.5625	499300.2813	502764.4375	357534.875	287018.625	328482.6563	469136.5938	345249.8438	362364.8438
Octadecanoic acid	77750336	69694568	73287856	65148932	59972716	59938368	46074032	43861492	43686344	65497620	60656616	60040332	65757676	62450288	57618388	94068224	93653904	89267080
Docosahexaenoicacid	221028	206005	240314	205574.7969	187899.0469	159437.7031	255088.7031	275878.8438	236291.75	183008.8125	190375.7813	154784.9063	212329.0938	231229.9844	239108.5313	156081.3906	186889.5	97414.9375
Docosanoic acid	189714	225529	277261	208708.4063	160717.75	197698.125	148856.7813	152456.2344	148292.7813	246470.2031	251513.0938	178564.0469	356979.4688	350029.75	314338.8125	248788.2969	248688.0156	380549
L-Glutamate 5-semialdehyde 2	144808	125742	131690	137033.25	121730.3047	117186.9766	178086	131599.3906	106723.0156	83565.57031	99842.38281	102836.0391	210915.1875	173768.7969	154369.0625	183167.8906	212309.25	164549.1406
Orotate(Fragment)	203408.4531	178648.375	282883.0625	148622	163587.1406	226161.0938	213796	168415.0625	248583.1563	261657.9375	296146.9688	342697.125	245693.4844	249352.3281	313876.375	212292.6094	360839.1563	432366.3438
4-Amino-4-deoxychorismate	457303.8125	390439.0313	327900.25	361369.75	275235.5938	258088.4844	472298.5938	462790.4063	331495.7813	314066.625	282874.5313	265864.5625	292317.375	283619.5313	239066.9844	334126.3438	293869.4063	251216.0781
Icosatrienoic acid	199258.875	94856.76563	148997.1875	153848.0625	103895.6016	71522.42188	71722.58594	145192.7188	142505.9219	203094.3125	185362.875	219266.6719	139275.5938	281533.5	165565.4219	191406.125	197961.7031	251502.125
Phenylacetaldehyde	54585.83594	62459.42969	44427.33984	40182.91016	28439.88867	49640.05469	87800.0625	41834.87891	42879.31641	92199.03906	47662.39063	62802.35156	48139.37891	46273.64453	53121.34766	116097.3281	88910.79688	67029.03906
3-hydroxyacyl group of bacterial toxin	897936.1875	910104.9375	820013.3125	664053.5	623515.875	611000.8125	569802.8125	561349.25	537358	163505.75	195923.7813	168812.125	167331.2031	122742.3828	143878.9219	275179.9063	327522.6875	296334.7188
5-Hydroxyisourate	130454.7422	96305.96094	75171.01563	93156.39844	58200.75781	57725.60938	109740.9297	104858.5156	68273.45313	144597.2344	111769.5625	88801.125	136094.6719	100118.7734	69406.63281	132876.2188	130282.8125	101359.5
(S)(+)-Allantoin	37091.77734	29444.32422	32739.10352	19914.2207	18965.79297	28910.83789	18994.72656	36710.31641	39769.42578	13463.45508	13046.61914	29883.29492	14818.20605	14220.7334	29999.32617	29501.25195	30842.12305	40350.57813
N-(L-Arginino)succinate	0	8188.550781	15017.86914	0	14689.87305	0	16955.75391	14415.2666	18420.6875	110403.0234	113374.5625	87563.53906	107807.3984	112264.875	101532.8828	98758.85938	129624.5	102157.4922
10-oxogeranial	51409.26563	46608.69531	52767.25781	29595.40234	24551.83008	36709.08203	33223.59375	42119.35156	26337.9707	42530.63281	41043.32422	38265.03125	42472.74609	52709.47266	58149.73828	36455.28125	41226.45703	63028.76563
9-Oxononanoic acid	853597.4375	749909.5	860963.75	484372.7813	441761.75	516280.8125	518392.7813	490158.9063	526569	693922	654347.5	726084.875	1013057.188	1094159.375	1048713.5	1355495.5	1343062.125	1408519.75
[FA] Methyl jasmonate	82611.9375	84871.46875	75997.96875	60391.375	45199.66016	32998.54297	61462.39844	34263.52344	44135.20703	97471.3125	142908.6406	73261.51563	118408.3516	78313.51563	118057.9766	186936.2969	189308.4375	174936.25
Traumatic acid	265241.1563	216943.7188	252519.4688	105835.8828	164838.6719	134779.1563	113463.3672	94785.42969	108025.7969	142946.5625	130064.3281	141851	618641.6875	543782.625	576582.625	504648.7813	417196.5625	412835.875
CMP-N-acetylneuraminate	42672.05859	35557.39063	27215.96289	31726.14258	23950.85547	0	45699.44141	28973.29102	23533.60352	875924.0625	892743.875	691829.5	1266930.625	1171650.625	1020862.313	1241252.75	1018544.063	887205
5-Hydroxyectoine	13298.98438	9922.368164	12869.93457	0	9804.075195	8608.605469	39235.5	41607.84375	43287.75	68631.83594	66440.3125	72893.0625	8809.151367	8959.285156	12061.02539	97810.13281	121850.3672	79154.21875
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	105023.4141	108661.6172	79494.75781	66781.65625	42037.84766	36358.15234	76951.67969	74160.0625	63195.98438	36314.71484	52530.55469	42769.78906	39979.95703	40820.75391	36847.54297	122155.1328	98926.77344	104844.1953
N-Formyl-L-aspartate	46072.44922	37672.32813	30816.19727	18097.9082	19251.48047	16819.49609	24156.96094	20995.30859	22513.73633	114418.0313	107762.6406	93733.65625	101103.6484	90330.33594	90567.78125	117797.9531	121190.9453	92195.22656
Phosphodimethylethanolamine	76705.21094	40229.59766	70176.79688	0	29698.88477	34778.84375	39163.57422	37594.20313	31945.26563	508426.6563	512155.25	489041.875	479764.3125	463819.6563	509149.5	608112.5625	577425.9375	525326.125
Abscisic aldehyde	93159.64063	96799.35938	61715.98047	0	21868.32227	0	0	23357.8457	25589.0625	138662.625	96506.88281	117218.5547	131330.2813	117875.1797	95256.6875	229506.375	226780.7344	234647.625
2-(Acetamidomethylene)succinate	41793.87109	35268.33203	0	0	0	0	48070.93359	93689.65625	0	224505.9063	204644.1563	188582.5156	165830.6719	146207.0313	129979.5469	187703.6563	193550.375	155934.2813
[FA (24:0)] 15Z-tetracosenoic acid	0	0	0	0	0	0	0	0	0	216911.8594	318202.6563	268920.9688	448211	382790.75	338041.875	341180.5313	358451.2813	282209.5938
CDP	0	0	0	0	0	0	0	0	0	23763.63672	25503.72852	25230.31641	103202.2344	81953.26563	94797.79688	67250.375	73089.71094	85737.67188
L-Cysteine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pseudouridine	0	0	83750.82813	0	0	112039.9063	0	0	28492.5625	564514.5	580705.3125	528296	203365.7656	163153.7031	249114.7188	416755.2188	387028.8125	348036.8438
N-Succinyl-L-glutamate 2	347951.1875	311803.3438	293524.7813	282605.375	304065.9688	238193.25	185958.875	166768.25	167895.9063	83761.89844	78251.30469	107875.9219	91621.60938	104540.5078	67141.70313	199837.9531	157540.1094	126636.3203
5-Phenyl-1,3-oxazinane-2,4-dione	893616.3125	841093.5	996697.0625	1212493.125	1187348.375	1371034.625	3187565.25	3182355.5	2754708.5	5234869	4540990.5	4909768.5	555596.5	546739.875	414339.5313	8299911	7299089	6028425.5
Cyanuric acid	38984.44141	35253.08984	39609.87109	47946.95313	41893.27344	38550.96094	53290.52734	37188.71484	44199.21094	48469.74219	43802.10938	41657	181871.9219	188937.0469	176775.3594	45006.88672	43527.94922	46592.36328
Salicylaldehyde	105119.1094	76974.29688	125234.9922	111719.3438	104252.2578	123592.1641	109348.8906	106758.5156	125483.5625	97739.00781	81830.46875	128057.6172	99056.73438	110969.5469	149094.1875	142398.0156	115584.6875	126791.7734
cis-1,2-Dihydro-3-ethylcatechol	65991.0625	52338.32813	47908.44141	57649.25781	54794.11719	48858.05469	51571.55078	48740.38281	38838.57422	46344.97266	51321.66016	45618.32031	18370.54297	15281.14551	19172.99805	75614.77344	96207.80469	91859.73438
S-(Formylmethyl)glutathione	68335.71875	44387.1875	45077.05078	43678.53125	38121.23047	41362.70313	62460.84375	46162.86719	48060.01563	46132.95313	36969.19531	40298.12891	83960.53125	77456.07031	73473.20313	43227.30469	56259.14453	55708.73047
N-Hydroxy-1-aminonaphthalene	68689.34375	79461.00781	67548.92969	48875.52734	50481.64453	41203.91797	44502.04688	49761	49921.10938	84039.6875	82499.5625	78666.95313	271238.7188	263658.9688	240967	231804	242406.7031	207700.8906
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
cis-3-Chloroacrylic acid	0	0	0	0	0	0	12912.81055	16483.85938	15212.7207	118496.7969	115700.3984	91632.92969	0	0	0	43579.45313	50193.03906	53140.17969
Dichloroacetate	0	0	0	0	0	0	438445.7188	536545.9375	528511.4375	2503448.25	2485747.5	3437658.25	0	0	0	995445.75	975847.3125	1180991.25
hydroxypyruvaldehyde phosphate	0	11490.13867	0	23430.32031	17443.31445	15162.47559	34780.17969	42240.92188	30596.89258	44424.92969	41091.27344	56505.83984	93157.0625	99280.89844	88409.53125	118051.4453	138441.5938	126406.2891
Obliquine	0	187543.6875	56521.64453	80215.64063	269486.7813	176021.7344	0	174324.6875	152841.7188	294603.9375	196368.3906	119015.9531	174649.4063	290304.5625	103539.3438	128112.0234	0	0
P-DPD	210952.5625	176860.0781	179926.4375	367289.4688	345590.4063	287434.8125	436370.375	334054.9688	307167.7813	316261.1875	343614.625	295604.4063	766661.0625	646713.625	630833.6875	700561.6875	635464	695103.375
herbicide 14A	121492.7422	174532.4688	226541.2813	240097.1875	242609.3438	346072.875	120923.4688	182356.3906	315073.8125	193512.9531	144252.7188	244575.25	181590.6406	148514.2031	236228.7344	271325.0625	88827.32031	90723.49219
Met-Met-Pro-Tyr	50608.70703	53555.89844	16493.45313	71843.08594	84954.35156	29189.88477	83525.85938	83015.72656	23907.01172	40883.79297	42285.60938	0	78819.58594	78020.96094	44142.73047	91340.52344	87175.13281	40189.86328
PS(P-18:0/17:2(9Z,12Z))	229227.5469	156157.7813	156576.3281	339841.25	257458.6875	229888.2969	127223.6875	113759.7813	149468.1563	82403.45313	83615.15625	74968.92188	161943.7344	163009.9531	163814.2031	120427.9844	104325.9297	95485.30469
metabolite 2	0	35409.02344	32966.92969	0	58470.63672	39904.71875	257293.0781	344806.0938	298882.5313	0	0	42460.86328	0	36530.54688	36417.19141	207512.9063	230518.7969	222187.5156
PS(40:8)	213229.75	164879.3906	187048.5313	290037.3438	258965.9688	187690	245425.875	248027.2031	218977.8125	257136.1406	348986.8438	275117.3125	210133.5469	0	167615.5938	196849.1094	215068.7969	175411.1875
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholine	61901.11328	55550.14453	23449.58984	80840.22656	27288.60742	71768.59375	54018.58203	0	59496.12109	125476.7344	98748.07813	87117.52344	283639.0625	164682.875	206711.3281	159989.6719	157306.8594	173434.0625
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid	66425.84375	76684.76563	60613.90234	98405.05469	83024.82813	78208	64083.61328	60928.38281	53079.64063	51300.29297	70522.5	78808.23438	116019.9922	114605.8125	102693.3906	136390.5781	159322.4063	116206.0156
Indoxylsulfate	328464.1563	421474.7188	416856.5938	496307.2813	518973.5938	468722.6563	411183.4063	316652.1875	443807.4063	71764	0	79829.35156	263149.5625	253052.9375	242377	142383.9063	196393.7813	151592.7656
L-Glycericacid	124993.7969	230682.7813	207847.8438	153981.125	275231.6875	262247.3438	116319.125	199957.9844	196619.0313	127867.1953	206313.4531	196989.2969	111085.2891	185226.8281	221756.7813	135423.4844	334317	260541.3906
L-Ala-L-Glu 2	65336.17578	40404.41406	147720.2656	99541.28125	92042.4375	112366.0859	122439.7031	74311.64063	107863.2344	213752.8125	265707.2188	239389.0469	159068.4063	92267.42188	120815.8906	186491.3281	167487.5	213312.6875
phosphinomethylmalate	390070.6875	371150	296123.7813	511880.5313	389693	353228.6875	457589.125	345459.2188	292944.4375	346050.4688	306194.125	283998.7188	611957.3125	504128.3438	436272	593287.0625	518652.9688	470277.5313
LysoPE(0:0/20:2(11Z,14Z))	30668.75195	59010.61328	48854.36719	35561.11719	68394.27344	60126.60938	31810.31445	0	28462.77344	177792.3281	144339.1563	168381.0156	419990.5938	387773.1563	346260.375	339935.1563	312674.8125	224136.7031
2-Butyne-1,4-diol	78004.64844	80325.5625	134573.7344	94078.32031	100691.1016	146044.7813	77126.34375	89021.52344	123162.3281	103564.5859	112982.4609	169097.3438	160418.125	162542.3438	214673	126508.2422	171568.9688	180658.75
octulose 8-phosphate	316334.625	296861.5313	302483.1563	379646.625	337371.7813	343394.5625	386422.5938	367566.8438	383940.4063	206107.0156	224962.1875	199457.2656	628479.1875	544803.5	534716.8125	713224.5	768787.0625	649420.625
Vinylacetylglycine 2	39257.19922	71252.74219	154466.4531	53696.98047	87505.10938	164607.0938	60677.84766	73703.85156	84150.24219	132689.75	112892.5547	133115.3594	69153.69531	96016.53125	70976.78125	144938.9844	181929.2188	162227.4375
2,3,5-Trihydroxytoluene	34250.45703	17856.63086	32320.79492	35825.23438	19094.81836	40770.24219	106920.3281	101776.8984	60165.92578	21156.22656	42215.51563	30049.21094	27121.69336	26881.48047	18275.60547	86172.85938	66537.30469	41064.41016
Ala-Asp-Ser	177988.4531	124434.4531	53393.48047	148229.0469	128674.4766	126246.3828	149818.6406	103021.7813	61799.74219	309477.2188	281622.75	307938	275715.8438	240326	236816.1719	353182.4375	334647.6875	235602.9219
3-dimethylsulfoniopropionaldehyde	655457.4375	600089	636554	646587.75	866324.5	621617.375	0	0	0	664348.625	581208.375	597162.8125	589330.1875	576311.625	590237.4375	0	0	0
PS(15:0/22:4(7Z,10Z,13Z,16Z))	207881.1406	196845.8594	200898.5313	258142.1094	193236.875	228809.7656	334227.4375	300598.7813	209423.75	928297.5625	937393.875	740436.4375	943576.1875	696732.25	606158.1875	901872.375	740068.25	719401.0625
Muramic acid 2	481540.7188	433728.8125	342257.1563	580066.5	450767.8125	353804.1563	511031.75	490924.8438	331118.375	62412.73828	57355.66016	47843.19922	835035.75	575329.0625	517907.1563	642387.875	654334.125	447485.1875
Glucosyl sphingosine	458535.3438	410688.0313	335533	518337.7813	359788	445796.9063	536857.875	453636.0938	498006.9375	47746.40625	71024.57813	52554.83203	83963.39844	39454.0625	113930.9375	90366.14063	67386.35156	89027.55469
MG(0:0/24:1(15Z)/0:0)	280020.0313	232895.8281	264468.5938	363472.375	243786.2031	245627.7969	303070.6875	268805.8125	264099.625	235349.7344	190109.6875	197048.0313	286722.9688	267049.125	226274.0625	327163.9063	239028.0625	214425.7969
Asp-Ser	25616.9375	26337.49023	21867.13867	25606.97461	23750.64063	31095.98633	27520.69922	28287.00586	35083.60938	170157.6563	118264.4922	114890.25	89804.78906	75295.63281	115669.9063	128215.8125	104867.0313	86244.39063
Sedoheptulose	149297.7188	129980.4609	121878.5391	163449.3438	140825.3594	131215.0938	155891.6406	164011.6719	136543.7188	0	0	18817.43164	15599.05859	15849.9082	24009.31055	23133.96289	21581.11719	18951.79688
2-Dehydro-D-xylonate 2	81282.92969	63274.0625	70250.16406	79545.21875	70169.78906	82569.14063	112158.6797	90998.67969	78465.97656	54731.20313	59651.34766	44165.94141	56627.01172	42765.64844	65226.82031	94029.78125	73101.96094	83496.6875
Lys-Asp	35155.53906	27101.53125	44459.44531	28206.67773	44668.75	39950.46875	42475.37109	55111.90625	40479.30078	208562.5469	201277.3125	193217.4063	129268.3047	118239	128581.2578	186912.3281	159370.125	155357.4219
PI(38:4)	2645682.75	2529635	2168966.25	2991468.75	2677815.25	2083897	3626370.75	2505594.25	1941408.375	4987749.5	4330584.5	3077471.25	6044433	5254069.5	3716029	5384221.5	3906809	3329244.25
alpha-(Methylenecyclopropyl)glycine	201348.0625	165564.1719	212516.0938	188782.4219	212810.0625	208010.5625	209008.9844	239834.1406	210661.1563	227281.0469	202796.0156	204221.6406	227860.0156	233561.7188	231196.5	232284.2969	204043.4531	238475.7969
Hydroxymethylphosphonate	780927.75	670176.1875	968857.625	766729.625	776776.6875	1000652.563	906941.9375	715764	1056063.5	2443890.75	2765506.75	2595847.75	542233.125	561601.25	708936.0625	1994503.125	1968606.75	1964764.375
PA(36:4)	730140.1875	599115.0625	574724.3125	799969	592606.75	606315.75	664672.125	572698.375	516281.1563	218728.75	260398.1875	182430.4375	283329.7188	404047.1563	261436.2656	229439.6094	242033.5	178468.4688
Benzofuran	1176113.375	1165766.5	1161521.5	1291311.625	1210456.375	1174605.125	1182186.5	1179408.875	1144514.875	813832.375	930817.1875	780787.1875	837293.9375	726660.625	656150.1875	738362.875	960583	872557.1875
indole-3-acetyl-valine	50000.125	45467.52344	40551.53516	62755.69531	31933.82422	47767.96094	45239.83203	25634.48047	39563.05859	0	0	0	0	21873.23242	25893.14453	0	35397.71875	36513.11328
5-Hydroxypentanoate	264870.9688	470084.5625	490242.4688	390829.2813	300395.0313	586832.9375	261544.2813	346491.9688	451020.25	175863.25	356379.7813	503467.2188	317957.3438	329167.8438	465090.2188	295045.6875	392798.125	427303.5625
PA(36:3)	567921.3125	441001.5313	417455.7813	559672.1875	496661.625	394213.0938	533884.5625	444421.75	393393.25	182853.6094	150778.1094	141515.625	213501.375	278579.5625	205075.375	207492.7813	185330.4688	160768.3906
6-Acetyl-D-glucose	41449.40234	39821.23438	38763.66406	40488.70703	25665.46289	55303.48438	46463.08984	41804.39844	31378.60352	153689.0938	150051.0625	143669.1875	150730.1406	151388.2813	159561.8594	191317.375	169887.7813	174055.4844
3,4-Dihydroxypyridine	26278.58008	21600.58008	26845.85547	27760.69727	23807.89648	23962.88867	28485.95313	18414.90039	22880.91406	331502.3438	311938.25	327119.9375	1494441.875	1240702	1260433.25	1302130.875	1215594.25	1077054.25
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	2681537.5	2375693.75	2485389.25	2510605.25	2353848.25	2736702.75	2532716	2244250.5	2192207.75	1867944.125	1619916	1381067.125	1305448.25	1415109.125	1588781.375	1672938.25	1235523.625	1700414.875
N-Butyryl-L-homoserine lactone	342636.3125	368157.3125	419100.9688	485996.4688	353007.5625	293904.0938	273563.9375	300640.7813	307684.8438	241108.3438	407534.8438	339836.4063	374375.75	518275.5625	450640.2813	414918.75	261827.8594	364130.2188
Clitidine 5-phosphate	84470.42969	74139.86719	94761.53906	94672.89063	94792.73438	63841.35547	73890.14844	62107.46094	66951.23438	0	0	0	0	0	0	0	0	0
PG(P-16:0/15:1(9Z))	80639.19531	92584.19531	71959.42969	93256.40625	79199.88281	70810.42969	0	0	47611.58203	82647.58594	76597.28125	72468.29688	311626.75	289439	242502.7188	126298.8125	131182.1563	129955.7109
Camoensine	321219.0938	267285.875	228490.8594	287656	256087	263302.0313	272570.8438	278512.9063	254277.3594	125351.5391	111961.125	87829.4375	209094.4063	174823.6094	163882.25	181400	194055.7344	182946.0313
ADP ribose 1,2-phosphate	448243.125	386975.875	393974.0938	432842.5938	377187.6875	401519.25	340444.8438	353856.1563	388183.4375	322143.7188	263637.6875	232047.9375	555972.3125	506500.9063	452360.6563	525198.3125	558693.625	438768.625
1,2-dioctanoyl-1,2,6-hexanetriol	1847026.75	1571722.75	1617805	1849351.375	1701166.375	1400474.875	1651844.375	1484155.5	1365592.125	1743448.625	1633243.75	1489295	1744407.625	1722020.375	1522864.375	1600483.375	1470430	1396833.75
Cholesterolsulfate	2930702.75	2338444.25	2182243.25	2745120.75	2443307.25	2129589.25	2616575.5	2119938.75	1867316.75	1822876.625	1731721.875	1662754.5	3044914.5	2745981	2089247.25	2382097.75	2193445.25	1663962
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 2	67971.91406	52240.30859	55702.44922	79071.21875	45957.625	47351.66406	95669.82031	85952.30469	69670.30469	34801.51953	44436.20313	20179.96875	55797.09766	63551.26563	52592.05859	71481.9375	93279.64844	98292.14063
melibionate	519209.375	473283.4375	371613.8438	512865.5	460777.0938	352873.9063	605083.25	426912.7813	419344.7813	53620.66406	51474.62891	41536.83203	74212.45313	69539.40625	44574.08203	93275.75781	72163.01563	60012.51953
2-Butenoate	806256.1875	740857.8125	851200.5	781899.25	809506.375	735731.6875	1502342.875	1322609.75	1579183.75	802242.375	671199.125	660390.9375	681585.625	704551	750429.75	1518115.5	1331443.125	1298259.125
Ala-Asp	9230.12793	16283.47461	16740.43359	18030.03906	7579.610352	15154.22168	16865.69922	13292.99805	14803.08984	207371.9219	192636.6094	202850.1406	111292.25	102129.8438	105950.2813	172798.6719	165571.6563	163838.0156
Phenol sulfate	242989.9063	207505.7188	215878.75	237202.8594	227683.2969	174084.4375	244477.5313	169549.1094	172763.5313	158318.5313	136988	216688.2656	144971.8594	137395.1719	164752.625	184870.2656	197514.5313	200714.2344
Tetranor-PGE1	130642.1172	158153.3438	123079.2344	135296.1406	131902.75	127439.7266	160286.875	140987.6875	156839.6875	139452.7813	92202.75781	122607.2813	126763.0156	146661.7813	109265.2891	157312.5469	125836.8906	130150.0156
PI(38:5)	527881.8125	485472.0938	405135.4375	533860.0625	391021.0313	421839.6875	614845.625	536692.625	360216.0313	745046.3125	632094.75	509054.0938	872798.0625	817399.0625	529769.25	614535.25	481573.1563	482265.6563
Galactinoldihydrate	424344.7813	418948.0625	345458.3125	448785.1563	356238.875	319840.9688	949923.0625	662094	652443.5625	0	0	0	0	0	0	0	0	0
6-Acetyl-D-glucose 2	41449.40234	39821.23438	38763.66406	40488.70703	25665.46289	55303.48438	46463.08984	41804.39844	31378.60352	153689.0938	150051.0625	143669.1875	150730.1406	151388.2813	159561.8594	191317.375	169887.7813	174055.4844
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate	328819.8125	558990.125	607606.5625	379575.25	503431.5938	518795.5625	318664	392853.9063	397470.5	119427.6641	126455.0156	198982.1875	463367.75	592478.4375	767175.75	169241.2969	185029.2656	244751.7969
Thiopental	38988.98438	47401.83203	44384.80859	48004.02344	50695.78125	23226.14258	246528.5781	181275.6406	158878.1563	0	0	0	0	0	0	0	0	0
Demethyltorosaflavone D	795882.375	571370.3125	636529.8125	605216.75	507028.9375	727838.75	822113.5625	629752.1875	767527	356120.2813	329733.9688	484475.8125	452793.1875	374600.1875	349148.9375	470273.8438	326529.1563	441433.7188
Glu-Thr-Thr	237292.5	196474.0625	149459.5938	207029.7656	178547.8281	149120.8438	127097.9844	67389.20313	44388.24219	0	0	0	0	0	0	0	0	0
PIPES	25108222	21372334	15396348	22792830	18808256	14796850	23819076	17949292	16423367	21399474	21646146	14824399	20062932	18304114	13975484	22367424	19999990	14481496
N-Acetyl-L-leucine 2	222882.0625	234317.2969	306132.25	646478.3125	539587.5625	449004.1875	210969.6719	235791.25	214271.1875	300744.7188	259546.3125	326240.0938	308552.0625	415387.8438	345891.125	570105.4375	514740.2188	627872.5
PI(36:4)	1034779.75	930916.5625	913055	953901.3125	816517.25	823823.5	1060739.75	1008521.938	776004.8125	436055.8125	343695.9375	277122	569348.625	351849.875	305389.2813	491677.375	380098.8125	0
Fagomine 2	1262978.625	1039420.313	886918	1128133.5	896402.4375	816454.875	1187817.5	906729.8125	880352.1875	424194.4375	426502.3438	354853.4063	464399.6875	381655.625	362359.25	433174.6875	466822.5625	396400
2-Octenedioicacid	204212.3594	124143.375	148505.6875	131687.6094	134530.8438	157300.1094	161558.9375	122652.3203	142607.0156	128007.9531	127228.8984	153700.7656	151378.0938	189311.25	173238.2656	146975.8438	114574.5625	195052.375
Asp-Gln	36443.95703	35287.93359	41217.82813	38009.71875	31235.60547	30815.1582	70665.75781	60194.54688	64227.16406	168519.25	171494.7969	136433.5469	78576.34375	75983.54688	77549.38281	187357.8281	191933.375	175225.2656
2,7-Anhydro-alpha-N-acetylneuraminic acid	6930338	6009868.5	4761318.5	6297634.5	5011986	4331614.5	6837387.5	6669789	4568796	10474634	9284758	7662379	11333752	9218474	7768487.5	11743178	10409720	8307926.5
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosphocholine	324954.4688	286788.2188	292548.4063	251985.7344	217104.0156	329297.875	269671.9688	227589.1875	255108.5	217399.0625	233480.4531	165673.2188	148063.6563	136235.625	135719.4531	208884.1875	243950.5625	252336.2188
Glycerophosphoglycerol	566901.75	423855.875	654154.375	482273.4063	358572.375	597645.375	505935.3125	418986.9688	609980.0625	1508937	1473222.625	1392265.375	1410146.75	1543893.625	1300021.25	1358608.5	1786614.75	1715320.625
nocardicin G	166317.6719	123741.1484	157405.5781	128078.9766	139504.125	122940.7344	306047.5625	261506.375	237285.4375	0	0	0	0	0	0	0	0	0
Gentisyl alcohol	89998.54688	72135.67969	69453.96094	61389.93359	57396.26563	82407.61719	82092.27344	78706.17969	82465.00781	90668.96875	118597.3203	95115.17969	91491.64063	87845.4375	84015.19531	98385.39844	96236.19531	92060.16406
sn-glycero-3-Phospho-1-inositol	45542.36328	29561.26172	41608.84766	39895.80469	32319.19727	28735.25781	38525.09375	33393.24219	30394.62109	339463.375	382320.25	313697.4688	325666.625	309222.3438	323503.9063	380115	319300.25	310775.8125
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate	249693.5156	248302.875	248062.3438	234136.2969	190496.6719	220590.6094	236626.6875	249143.1875	158440.7656	209816.7813	211231.3281	181078.9375	119834.4063	201301.3906	220918.7031	206165.2813	249541.5313	124916.6484
7E,9E,11-Dodecatrienyl acetate	1047879.25	986571.125	1132998	844107.3125	1005333.25	886143.8125	992848.6875	892727.875	958147.1875	1057406.25	1014747.375	1041441.063	686548.5625	824375.875	809207.8125	1051439	1029605.375	1101056.875
(1S,2R,4S)-(-)-Bornyl acetate	538414.375	405525.75	473537.75	409031.7188	407998.5313	400325.9063	201675.3281	193197.2813	208375.1406	697299.0625	668403.0625	677245.1875	543852.4375	515078.2188	514828.875	684994	761711.375	658276.4375
[FA (14:2)] 5,8-tetradecadienoic acid	60308.83203	33781.74609	36689.67188	42051.00781	37903.16016	31888.23438	29079.13477	29541.05859	27736.12305	34860.66016	44398.78125	0	42543.73438	74392.10156	37870.66016	0	44328.59375	49218.66016
N-Butyryl-L-homoserine lactone 2	342636.3125	368157.3125	419100.9688	485996.4688	353007.5625	293904.0938	273563.9375	300640.7813	307684.8438	241108.3438	407534.8438	339836.4063	374375.75	518275.5625	450640.2813	414918.75	261827.8594	364130.2188
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine	171348.1406	157495.2813	155683.1406	148169.3906	148228.0625	115766.9375	136074.6563	122413.8203	119819.4531	59456.67969	0	0	0	0	0	85918.57031	98687.13281	73749.82031
N-Glycolyl-D-glucosamine	53307.67969	56269.05859	64401.77734	51593.17969	48581.41016	47692.05859	78855.13281	77856.25	68049.49219	168192.8281	223548.3438	194073.1094	367099.625	429309.9688	406109.7813	570841.5625	600793.625	575323.4375
PA(36:1)	396783.4375	369858.625	342344.9063	322465.5938	333937.4688	269400.0313	426959.2188	296747.0313	269931.3125	0	0	0	0	0	0	0	0	0
Ethyl 3-oxohexanoate	201720.125	262349.0313	218456.2656	192183.2031	146528.9531	223077.7813	141316.7188	143349.0625	206422.75	126089.0938	101092.4063	179974.9219	141916.5938	172851.8125	292126.9063	217570.9531	211988.2344	192314.1094
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro-	228246	207079.5781	265268.0625	193031.0313	191999.6406	191557.9063	153491.4375	116605.1406	135649.5625	0	0	0	0	0	0	0	0	0
Thr-Ala-Ala	26483.70508	37485.39844	38337.69141	25988.55859	30138.20313	26933.92773	30565.93164	32436.18359	26904.19531	118722.3125	111598.9375	117414.1094	82636.32031	102437.6094	99598.92188	100076.1953	97029.89063	106864.8594
N-Undecanoylglycine 2	331434.4688	290378	324534.6875	269567.4688	246671	247764.2344	296484.5	226258.3438	239087.6563	166938.0781	199800.0469	216397.6094	376491.2813	286598.1563	292074.5313	251174.2656	242324.0313	256253.5625
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	253810.7656	215869.125	256831.9219	203185.5156	181488.0469	201382.4375	154106.3438	144530.7813	168188.3594	108577.6484	128100.2813	97144.05469	51688.20313	42415.13672	60253.90625	103628.8906	103449.125	128400.8438
Asn-Asp-Gly	33196.94531	37220.51953	26461.27734	30702.39453	23110.30469	24059.16211	26705.96094	28023.53125	19561.50781	284345.625	314845.8125	317575.8438	231973.6563	209650.875	238832.3438	273820.125	256079.4063	268387.4063
8-keto-7-aminoperlagonate	1117322.875	1086263.5	1319193.75	895248.1875	979102.4375	940158.5625	1145522.25	690489.875	787975.4375	755090.25	820375.3125	1202373.5	1558209.25	1469534.625	1565187.25	1308455.125	1160666.875	1044289
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	145170.1094	136973.3125	116499.2188	102452.4297	125286.1172	89490.98438	104561.9297	107940.5313	100478.7969	107550.125	136222.7031	126715.7422	156218.25	162321.0625	132054.375	260115.5938	198362.5781	203864.9219
10-Hydroxydecanoic acid	145891.375	130810.0781	202317.7188	121841.8984	98023.69531	158679.0625	150934.2969	130567.0469	154867.9688	150070.0938	177832.0469	220860.25	232362.4531	195351.25	266711.9688	256647.3594	320744	335350.5938
Botrydial	915897	882834.75	804939	694757.5	688345.1875	669997.5625	800285.0625	764238.8125	673284.125	831460	682194.4375	669645.75	640744.5	663422.5	618990.4375	750408.6875	767006.4375	686609.75
dihomocitrate	9476.267578	7411.978027	5425.816895	5201.38623	5533.942383	6840.399902	5497.797363	9955.339844	6620.02002	58608.21875	90992.11719	68603.85156	100686.0703	98951.47656	89892.41406	86487.14844	71539.92188	93617.91406
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3-phosphocholine	103288.2656	141477.3125	109585.8594	99664.0625	76511.78125	102808.4375	34958.91406	46502.03516	0	87910.96875	116345.0625	117170.8438	835309.6875	859590	764738.1875	245596.5	238035.5938	255454.6719
omega-Cyclohexylundecanoic acid	674960.6875	634983.8125	730283.8125	568563.5	469917.1875	561550.3125	664142.5	473791.8438	510310.6875	2339953.75	2190077.75	2352619.75	1802134	1930893.375	1763439.75	2158325	2181928.5	2147824
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	127636.7969	108862.0313	112068.9766	88065.07813	79855.57813	103949.5469	52145.3125	51530.59375	61798.31641	40512.33203	38507.66016	36361.47266	102162.1328	69951.73438	108980.9063	98738.76563	68259.66406	88499.20313
N-hydroxyisoleucine	36102.44922	18409.50586	16364.18848	34290.84766	0	20574.34961	26767.26758	21343.79297	20370.94141	153459.625	133461.5313	134452.7969	120074.4219	140521.1719	151981.0938	148022.5938	190803.1563	204580.0781
[PR] 9-Hydroxy-helminthosporol	185931.1094	101159.4063	146709.5938	85453.3125	112844.2734	134387.7813	44792.51953	80306.8125	64078.03125	127480.0469	131676.2813	132920.2031	165734.2969	200203.4688	163416.9219	212395.4688	239725.0625	178956.2656
Ala-Ser-His	127654.3516	96171.17188	138830.5156	94868.92188	95290.26563	87959.96094	212794.2969	200164.75	202151.125	210351.1406	171084.7969	178929.5156	151399.7031	119222.625	182276	302088.0938	273450.3438	238661.7969
Ala-Asn-Asp	45266.98828	29260.39648	37867.84766	23774.78906	25607.49805	35820.63281	28469.35742	34828.89453	31402.79297	101900.1563	93423.28906	101778.3359	102504.2813	98866.50781	95436.26563	109293.7813	110247.1797	86017.03125
Cer(d18:2/16:0)	53136.81641	0	31202.875	63736.46094	0	0	64034.32422	72575.60156	0	454390.875	440850.9375	321355.4063	407547.1875	382837.5625	283728.5938	478918.6875	414783.2188	279296.5625
[FA methyl(14:0)] 12-methyl-tetradecanoic acid	2689074.25	2118317.5	2296854.75	1777977.25	1814498.75	1746584	1790165.5	1627858.875	1831364.25	3633817.5	3564284	3223100.25	3885142.25	3696568.75	4009694.5	4073600	3902596.5	3785940.25
(9Z)-Tetradecenoic acid	237147.7188	220337	302629.375	211768.6719	184982.4844	157013.4688	149674.2969	146013.5	174998.6406	88095.38281	147310.6719	135368.8125	261525.0781	217746.0313	245538.6719	245813.6875	223245.7969	208266.5
Cyclohexane-1,3-dione	61524.36719	74318.5	47092	47372.55859	45695.05469	34310.80078	28061.85352	37297.58984	29072.05469	39333.01953	45614.64453	63644.94141	117079.0781	143961.125	129040.2344	117305.3516	106554.3594	79817.79688
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	138597.875	113878.3359	110064.4453	99603.08594	74664.73438	74658.17188	89538.36719	113325.9453	49208.47656	69883.03906	65397.9375	104092.375	311801.1563	283845.25	379918.5625	166621.7344	127883.9219	87010.25781
[FA oxo(16:0)] 3-oxo-hexadecanoic acid	739657.75	773425.1875	723720.6875	586429.0625	489246.1875	435440.4375	363457.6875	387482.1875	375029.5313	786789.4375	738951.75	843925.0625	2541888.75	2631422.5	2188612.25	1270766.75	1283234.25	1186230.875
Ethyl (R)-3-hydroxyhexanoate	124735.5	142817.8594	158917.6563	96050	90759.76563	101286.5078	129855.6094	118059.1328	106313.7188	131966.5313	118729.7422	151153.8281	181302.1875	202985.125	193729.6406	184159.1719	192849.1563	201838.75
[FA (8:1)] 2Z-octenoic acid	243523.4219	241620.6563	300328.9688	177175.5625	198042.125	154038.4688	131609.6563	136777.125	138666.3281	237121	218684.2656	225353.3594	451925.0625	513350.6875	557033.875	612365.6875	592939.875	672715.5625
Glutarylglycine	43392.04688	24417.41797	45758.50781	33561.45313	24904.32422	18008.26563	43111.28125	25647.57031	21568.88477	102293.1563	147555.5625	113164.9688	229368.2969	225279.6563	205038.5	241360.5313	297254.4375	259582.4375
16-hydroxypalmitate	541342.25	568509.8125	513680.6875	318691.0313	373354.0313	391444.4688	319978.3125	288282.0625	312166.7188	334952.2188	392135.4688	333580.4688	939600	998720.5625	925735.8125	823312.625	832078.75	804840.25
PS(13:0/12:0)	215919.9688	173429.6875	194098.9219	138118.625	116606.7422	130693.7109	174302.6875	165626.3281	156133.8281	155079.9688	177813.1406	195457.5781	130022.3438	145202.1719	103203.8516	382563.5313	318144.9063	316578.25
Brassicanal A	441507.7813	371762.75	411116.5938	284814.5313	271094.375	236292.8438	230897.4531	238909.8906	238629.3906	278348.0938	250970.3594	245587.6563	654774.5625	358204.6563	427549.9375	1536681.375	1265669.625	1398414.875
N-hexanoyl-D,L-homoserine lactone	58621.25781	37427.87891	63724.53906	27529.38672	30132.68359	43369.35938	23275.16797	29255.92188	19973.92969	44540.05469	26424.69336	25589.05664	404722.0625	254848.5313	247829.5	244951.625	225746.8906	208384.9063
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid	772130.3125	702775.1875	688726.4375	481728.0625	468314.0938	417319.6875	310427.125	347292.5	344584.4063	503136.625	493579.2188	456087.625	1047502.5	802566.1875	857401.3125	1089358.375	897166.6875	936030.875
Stealthin C	819587.0625	1217873.5	1210601.25	566711.3125	771576.4375	695911.5	384312.5313	549680	485921.1563	249478.2188	271261.0313	403329.0938	2114528	1891257.375	1873715.25	1073307.75	1124203.5	1428550.125
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl)-cyclopentanebutanoic acid	79288.04688	86325.28906	90569.10938	67109.14844	57780.24219	27371.14258	29265.45313	57433.59375	47182.11719	63423.83984	64489.16016	72190.6875	79710.23438	57377.77344	49394.11719	218625.0156	252423.625	203247.7969
[FA oxo(7:0)] 2-oxo-heptanoic acid	642208.125	796283.75	968552.125	441034.0938	497327.7188	478744.9688	204397.0938	186910.2188	263002.5	687267.0625	688874.625	754583.4375	578592.125	754841.125	759623.625	1590109.125	1963584.75	1917113.875
Xylobiose	53446.48047	0	0	31284.13086	0	0	80062.45313	117068.7891	63955.89844	0	0	0	0	0	0	187559.1875	88430.36719	129208.6328
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	498924.0938	522897.375	614682.1875	297434.9063	313176.3438	337741.6875	455875.0313	400371.3125	355848.5625	351201.1563	387747.6875	486807.9375	535814.875	509066.8438	565937	906614.75	889598.75	983307.5
Glu-Ser	53838.44531	0	33894.67969	0	0	48243.42188	0	0	10921.34668	957483.3125	914521.5625	749831.875	543527.0625	527336.0625	464055.75	817061.625	812247.4375	676347.25
(+/-)-6-Hydroxy-3-oxo-alpha-ionone	61596.22656	29645.38477	45277.32031	28801.9668	25171.22266	20355.44141	27507.49805	23945.85547	30085.66406	62115.05078	39599.72266	30480.12695	92448.17188	99935.99219	74944.98438	109361.7266	105919.2188	63717.89844
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	98118.28125	89615.63281	116157.1953	56911.04688	50750.33594	53606.67188	74162.96094	67579.89844	100539.5625	51180.375	63969.04688	63899.29297	109214.9531	106149.7266	69980.29688	168231.7969	112230.7734	82508.34375
3-Hydroxydodecanedioicacid	316424.875	300216.4688	304025.8125	175785.9063	158095.5156	130261.5234	150770.1875	132780.375	150646.625	204832.6094	208212.7813	250709.0156	161230.8906	197826.1094	185595.25	539350.875	441811.1875	473966.4688
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoserine	323442.6563	369915.125	276304.8125	188967.2656	133395.4063	162029.5156	215643.2188	162853.4531	235592.75	279616.8438	274228.125	230501.8906	187912.9688	189059.0156	161356.3594	471126.2188	444879.625	467385.7813
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol	0	35907.71094	34148.07031	0	0	34992.97656	0	0	0	27559.06641	60608.66406	66887.0625	72735.14063	103543.0469	72359.60156	0	90275.25	78063.22656
10-Oxodecanoate	165589.5781	146170.625	174256	87283.55469	63495.01953	91667.28906	98444.07813	79258.65625	66794.17969	135103.875	109947.7734	152716.0625	99891.99219	152044.375	181748.3125	290701.9063	308875.3438	328048.125
[FA (10:1/2:0)] 2E-Decenedioic acid	285035.4375	194149.2813	223533.0313	132595.4219	87203.50781	116210.7578	134224.8594	93623.28125	113994.2109	161197.875	152984.6094	159337.9063	168778.6406	182627	212905.25	406415.625	381830.5	350890.7813
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	145959.2656	149979.8906	131311.4219	65963.4375	52514.1875	64832.44141	58927.04297	69308.55469	59193.25781	116283.6172	112626.1484	96910.05469	608589.5625	579398.0625	469979.5625	433259.9688	366236.7813	375400.4063
Neuraminic acid	581398.3125	639094.25	555796.5	291229.5938	212626	215933.3438	686422.4375	799945	790107.75	463995.8125	458560.3125	507256.7188	833922.0625	870330.625	930521.25	1191592.625	1332828.75	1198791.25
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine	195321.4688	143278.7813	161946.125	85187.21094	57057.625	54396.46094	42800.11719	49916.17578	55918.91016	215140.5313	250677.375	223426.8438	400766.5313	455139	410158.4375	487343.7188	426642.8125	461775.375
Dodecanedioic acid	169742.9375	177099.0625	163628.8906	62136.01563	57551.46094	48865.67188	258200.4531	200598.9375	191342.0313	138906.0156	145250.7031	133326.6406	122357.9219	135303.0156	92193.83594	324512.375	340080.7188	363115.75
n-Acetylasparagine	19318.29883	15427.31738	21739.44141	13155.23828	0	0	41265.19922	16293.44238	15601.63086	54825.73438	48380.08594	47265.17578	51631.13672	46849.69141	48904.06641	58798.57813	92037.97656	80794.35156
Aspidinol	41766.625	54829.58203	49513.51563	0	0	0	0	0	22986.0918	0	0	28444.80469	55621.91797	60938.83984	98873.14063	160770.8906	142135.375	134780.2813
N-oleoyl threonine	69992.45313	42964.96484	0	0	0	0	0	0	0	0	0	0	290537.3125	355779.25	270818.1875	127599.0625	122184.5469	126708.2188
3-(ADP)-glycerate	0	13454.63379	0	0	0	0	0	0	10350.66016	40936.00391	44161.66406	34398.97266	128649	118803.3906	139365.0625	109643.4922	132768.0156	112391.7578
Asp-Gly-Tyr	0	0	0	0	0	0	0	0	0	101334.7266	99503.35156	87419.58594	88108.52344	75386.66406	71542.64063	100218.9063	105059.6016	99350.57031
Leu-Ala-Asp	0	0	0	0	0	0	0	0	0	117881.625	136424.9063	161231	159299.2188	152665.3281	104896.9531	132960	129540.2656	160894.2813
Asn-Asp-Asp-Pro	0	0	0	0	0	0	0	0	0	414543.875	406492.9063	284022.0313	495731.6875	383375.8438	332954.8125	505488.5313	368037.3125	302387.1563
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2,4,6-trimethoxy-beta-hydroxychalcone	0	0	0	0	0	0	104529.8359	93618.25781	96121.25	824052	795543.8125	918390.9375	0	0	0	605288	565327.75	560633.1875
Hymexazol O-glucoside	0	0	0	0	0	0	0	0	0	1734967.625	1603759.25	1239805.25	1975698.125	1678600.5	1263744.375	2028436.25	1647339	1564910
4-Nitrophenyl-3-ketovalidamine	0	0	0	0	0	0	0	0	0	253996.4688	214160.5781	241259.0469	126337.6094	112692.1797	87065.78906	245434.9688	216079.2813	174868.2969
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate	0	0	0	0	0	0	0	0	0	85979.71094	89086.60938	84119.5	71973	41108.53516	51463.98438	159070.5313	135478.3281	107954.4375
Asp-Gly-Ser	0	0	0	0	0	0	0	0	0	128680.9453	155486.5156	91555.13281	108683.3828	156329.2813	81124.26563	118516.5156	127245.2188	122555.9766
N-Acetylgalactosaminate	0	0	0	0	0	0	0	0	0	736615.5	736021.5	576717.875	824817.5625	691964.625	638731.75	898366.5625	745169.1875	618629.3125
(-)-jasmonoyl-L-valine	0	0	0	0	0	0	0	0	0	0	0	0	187400.3906	291818	289158.375	148017.5313	67735.29688	165714.8594
PG(40:8)	0	0	0	0	0	0	0	0	0	317609.125	417187.7188	357755	401995.9375	309214.5625	289614.4688	264588.625	217472.25	223126.9375
sinapoyltyramine	0	0	0	0	0	0	0	0	0	155459.9375	188832.7344	137073.5469	163534.5781	173240.1719	219390.2969	168757.7188	179744.5	170027.7969
Val-Asp-Ser	0	0	0	0	0	0	0	0	0	107126.0313	106256.625	94419.67188	119083.9375	98411.04688	98623.58594	132533.7188	150557.9531	111470.0781
Met-Ala	0	0	0	0	0	0	0	0	0	351059.2813	447183.4375	562550.3125	0	0	0	238494.5156	269867.625	404017.8438
nonulose 9-phosphate 2	100528.9688	93338.29688	90303.14844	98058.78906	92628.05469	92798.25	119121.0391	108462.3594	103358.4219	495048.1563	499162.0313	470227.4375	332158.5	320327.8125	306964.6563	544142.5	468799.125	459009.1563

metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
2,3-Bisphospho-D-glycerate	18.11897433			C01159
Sucrose	14.88135403			C00089
D-Fructose 1,6-bisphosphate	17.76309756			C00354
3-Phospho-D-glycerate	16.71888783			C00197
Phosphoenolpyruvate	17.37242829			C00074
UDP-glucose	16.09285482			C00029
Benzoate	7.409190517			C00180
Citrate	17.89231851			C00158
Pyruvate	7.98386139			C00022
6-Phospho-D-gluconate	17.4771367			C00345
D-Ribose 5-phosphate	15.22520022			C00117
GDP-mannose	17.93791257			C00096
myo-Inositol	16.96899956			C00137
Glutathione	13.92350954			C00051
D-Glucose	14.73953274			C00221
D-Fructose	12.848369			C00095
Phenylpyruvate	4.703501287			C00166
L-Aspartate	14.6433192			C00049
Decanoic acid	4.0660057			C01571
Oxalate	17.49527225			C00209
(R,R)-Tartaric acid	16.94552132			C00898
Taurine	14.92027376			C00245
Fumarate	14.7608308			C00122
Phenylacetylglycine	4.824708422			C05598
D-Sorbitol	13.92128727			C00794
2-Oxoglutarate	15.35135908			C00026
Hexadecanoic acid	3.793375738			C00249
sn-Glycerol 3-phosphate	14.68884753			C00093
UDP-N-acetyl-D-glucosamine	14.81721634			C00043
Tetradecanoic acid	3.845682699			C06424
D-Gluconic acid	13.48671778			C00257
(S)-Malate	15.82442084			C00149
[FA (8:0)] octanoic acid	4.349274454			C06423
FAD	11.19496882			C00016
Phthalate	13.61907826			C01606
Orotidine	12.20845877
Hexanoic acid	4.76947787			C01585
5beta-Cyprinolsulfate	3.936684844			C05468
Urate	12.49947702			C00366
3-Phospho-D-glyceroyl phosphate	15.6639721			C00236
Glycerol	10.29867783			C00116
[PR] Tretinoin/All-Trans Retinoic Acid	3.947329993			C00777
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	12.3391338			C01620
4-(2-Aminophenyl)-2,4-dioxobutanoate	7.413209974			C01252
4-Methylpentanal	4.194767726			C02373
3-Sulfino-L-alanine	14.22200791			C00606
3,6,8-Trimethylallantoin	13.05630054			C16362
dATP	15.43068074			C00131
(S)-1-Pyrroline-5-carboxylate	14.89706852			C03912
Gentisate aldehyde	4.785461819			C05585
2-Formaminobenzoylacetate	4.982896075			C05835
D-Sedoheptulose 7-phosphate	15.9315475			C05382
N-Acetylneuraminate	13.18239482			C00270
D-Glycerate	11.7669498			C00258
D-Proline	24.17565184			C00763
2-Oxoglutaramate	7.546246523			C00940
5-Acetamidopentanoate	7.411103012			C03087
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine	3.868568277			C00350
Acetyl-CoA	12.07006829			C00024
L-Histidinol phosphate	13.93597565			C01100
(S)-2-Aceto-2-hydroxybutanoate	13.46846267			C06006
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine	3.641858742			C02737
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc acid	10.71272044			C06201
Sulfoacetaldehyde	11.10332448			C00593
(R)-2,3-Dihydroxy-3-methylbutanoate	8.689525193			C04272
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	14.19925421			C03656
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic acid	4.067060256			C14717
L-Aspartate 4-semialdehyde	13.11912641			C00441
Butanoic acid	7.415586724			C00246
(3R)-beta-Leucine	13.89791157			C02486
UMP	14.79920986			C00105
2-Hydroxybutane-1,2,4-tricarboxylate	16.97978351			C01251
ADP	14.80991224			C00008
[FA (18:1)] 9Z-octadecenoic acid	3.758274481			C00712
(R)-3-Hydroxybutanoate	7.858494928			C01089
N-Acetyl-D-glucosamine	12.11731747			C00140
Indole-3-acetaldehyde	4.480790933			C00637
UDP-glucuronate	18.86859564			C00167
2-Hydroxyethanesulfonate	10.6700773			C05123
alpha-D-Glucosamine 1-phosphate	15.15128039			C06156
Indole-5,6-quinone	5.448583579			C05579
XTP	14.19770925			C00700
GMP	16.39856762			C00144
L-Rhamnose	11.86754222			C00507
GDP-L-fucose	17.31727051			C00325
(S)-3-Methyl-2-oxopentanoic acid	4.74791225			C00671
S-Sulfo-L-cysteine	16.62635218			C05824
alpha-D-Glucose	22.84381013			C00267
5-Dehydro-4-deoxy-D-glucarate	15.10560376			C00679
O-Acetyl-L-homoserine	11.05096295			C01077
L-Dehydroascorbate	17.66942185			C05422
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-octadecenoic acid	4.395887348			C14833
D-Mannose 6-phosphate	14.84969202			C00275
D-Glucarate	16.78227863			C00818
Progesterone	3.900373339			C00410
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic acid	3.865259494			C14827
(R)-S-Lactoylglutathione	15.79451421			C03451
D-Xylonolactone	14.82876622			C02266
(S)-Lactate	9.40721536			C00186
[FA (18:2)] 9Z,11E-octadecadienoic acid	7.322869429			C04056
Quinate	12.68717832			C00296
3-(4-Hydroxyphenyl)pyruvate	7.681496925			C01179
alpha-D-Glucosamine 1-phosphate 2	11.9882061			C06156
beta-D-Glucose	26.42916025			C00221
Ascorbate	15.01768904			C00072
D-Mannose	25.31756766			C00159
Homogentisate	10.73849396			C00544
D-Galacturonate	14.35672201			C00333
Hydantoin-5-propionate	15.15116342			C05565
5-Acetamidopentanoate 2	11.91618977			C03087
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 2	12.62464727			C03656
2(alpha-D-Mannosyl)-D-glycerate	14.21388718			C11544
3-Phosphonopyruvate	15.88967402			C02798
Phenol	5.942886533			C00146
Tetracosanoic acid	3.675131554			C08320
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid	3.721345899			C16527
[FA (20:0)] eicosanoic acid	3.721054209			C06425
3-Sulfolactate	17.32563292			C16069
Abscisic acid glucose ester	4.359858031			C15970
homovanillate	8.789861889			C05582
Succinate	14.86984997			C00042
N2-Acetyl-L-aminoadipate	12.10004427			C12986
Mesaconate	11.42034136			C01732
D-Galactose	24.226259			C00124
3-Dehydroquinate	14.07820021			C00944
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	14.66635927			C04796
L-Noradrenaline	13.73143817			C00547
D-Alanyl-D-alanine	11.11332472			C00993
2-Dehydro-3-deoxy-D-gluconate	12.10267619			C00204
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	3.952326394			C01301
N-Acetylmuramate	11.59819559			C02713
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid	4.041198109			C16309
L-Cysteate	15.32979469			C00506
Hydroxypyruvate	15.46160171			C00168
2-Oxosuccinamate	8.813233576			C02362
LysoPC(20:3(5Z,8Z,11Z))	3.824425607			C04230
[FA (22:0)] 13Z-docosenoic acid	3.70960738			C08316
Iminoaspartate	9.968733317			C05840
Melibiitol	13.85658205			C05399
3,4-Dihydroxymandelaldehyde	15.01326346			C05577
5,6-Dihydroxyindole-2-carboxylate	7.413560862			C04185
Asn-Gly	12.85239063
Sulmazole	7.811060044			C13749
[FA (14:0/2:0)] Tetradecanedioic acid	4.13338501			C11002
N-Acetyl-L-leucine	7.408579872			C02710
2-(sulfomethyl)thiazolidine-4-carboxylate	15.97342187
uridine-5-diphosphate bromoacetol	18.02171848
Cantleyine	4.799109813			C09933
Glu-Cys-Cys	11.49791357
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose	10.16924776			C06618
Flaccidin B	4.829686674			C08943
Capryloylglycine	7.379727018
L-Cysteinylglycinedisulfide	15.01268457
Farnesoic acid	3.887055908			C16502
12-Hydroxydodecanoic acid	4.298216045			C08317
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate	4.105440636
2-oxosuberate	14.88635245			C16589
perchlorate	6.090334822
ethanedisulfonate	10.42713503			D07330
HEPES	10.5281793
L-Erythrulose	10.43609054			C02045
2-Ethylhexyl phthalate	3.854516238			C03343
L-Hypoglycin	12.77879533			C08287
N-Acetyl-D-glucosamine 1,6-bisphosphate	16.596247			C04461
Sulcatone	4.126535437			C07287
Met-Gly-Arg	13.18192103
PS(19:1(9Z)/22:2(13Z,16Z))	3.933960944
CAI-1	3.893814148			C16640
5-Deoxy-5-aminoshikimic acid	19.65427213			C12121
[FA (11:0)] undecanoic acid	3.996659899
N-Glycosyl-L-asparagine	14.11931237			C03411
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine	4.09324754
Arecoline	4.721362009			C10129
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol	4.063748093
Norepinephrinesulfate	18.67989163
Vinylacetylglycine	14.38470588
3,4-dihydroxybenzylamine	7.424162462
Apiole	4.229775747			C10429
sodium dodecyl sulfate	3.655797892
Otonecine	7.409791374			C10356
Ala-Asp-Asp	16.76408036
[FA (13:0/2:0)] Tridecanedioic acid	4.808469626
3-sulfopropanoate	16.26064025
Glycylproline	13.42215464
Laudanosine	3.790040783			C09558
(L-Seryl)adenylate	13.65038711			C05820
Pentanoate	4.826240295			C00803
nonulose 9-phosphate	16.3938399
Glu-Asp-Cys	11.34152157
2-Deoxymugineic acid	16.42090621			C15485
2,2-Iminodipropanoate	9.28994027			C03210
Glu-Leu	10.83217662
Asp-Asp	17.15169671
Ecgonine	11.01628286			C10858
CoA-glutathione	16.75938181			C00920
4-Methylene-L-glutamate	13.28659512			C00651
Aspartyl-L-proline	15.22175385
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	13.75669329			C01295
Vanilpyruvicacid	4.840498101
Cardiospermin	12.9881462			C08328
momilactone A	3.980166186			C18015
4-Hydroxyhexan-3-one	7.295139058			C02948
Arg-Leu-Val-Asn	21.68590165
Phenolsulfonphthalein	7.390574043			C12600
[FA (11:1)] 10-undecenoic acid	4.014645772			C13910
Glu-Met-Met-His	14.21401643
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	12.91787267			C04544
(6Z)-Octadecenoic acid	6.002920268			C08363
ancymidol	4.449309285
Fagomine	12.07788674			C10144
hydrogen iodide	9.023740931			C05590
PI(36:2)	3.674680545
N3-fumaramoyl-L-2,3-diaminopropanoate	14.6044357
4-Nitroaniline	12.06429961			C02126
Cys-Met-Pro-His	14.42601517
Monomethyl sulfate	8.242760786			C02704
metabolite 1	4.782226994
Asp-Leu-Lys-Lys	22.05928952
ethylpyruvate	4.843604417
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1-myo-inositol)	4.151175651
[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
dXMP	15.05817523
N-Acetyl-D-glucosaminate	13.60815283			C01133
alpha-D-Mannoheptulopyranose	12.10324462			C08236
Arg-Cys-Gln-Tyr	14.53687798
Muramic acid	14.1223928			C06470
[FA (13:2)] 3E,5E-tridecadienoic acid	3.8754903
N-Acetyl-D-fucosamine	10.83045973			C15480
[FA (20:0/2:0)] Eicosanedioic acid	3.704954366
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic acid	16.18132116
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid	4.815226598
2-trans,6-trans-Farnesal	4.250755268			C03461
[6]-Gingerol	3.917712019			C10462
2-Dehydro-D-xylonate	15.88502994			C02928
penem CGP31608	15.61744596
Quassin	4.535705971			C08778
His-Met-Trp-Ser	12.609089
[PR] Citronellyl acetate	3.946337553			C12298
Glu-Glu	16.79268387			C01425
trans-4-Hydroxycyclohexanecarboxylate	7.403004835			C04404
[FA (17:0)] heptadecanoic acid	3.768823628
(4E)-2-Oxohexenoic acid	4.786297273			C06761
2-hydroxymethanesulfonate	12.96776904
Diethyl 2-methyl-3-oxosuccinate	4.816468122			C04067
L-Ala-L-Glu	13.54646072
glutathione-sulfite	18.90549495
Nonanoic acid	4.173985661			C01601
[FA methyl(6:0)] 2-methyl-hexanoic acid	4.539999815
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	9.556933025			C06326
Capryloylglycine 2	4.707806044
N-Undecanoylglycine	4.491427829
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoserine	4.093026788
Cys-Thr-Ser-Tyr	10.01238902
Dehydrojuvabione	3.711209962			C09657
Glu-Asp-Met	15.03814012
2-Oxooctadecanoic acid	3.752289881			C00869
3-acetyl pyridine adenine dinucleotide	16.94925956
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid	10.75295341
Diethyl adipate	4.303080785			C14566
phlorisobutyrophenone	4.15448909			C07351
4-Propylphenol	4.749775934			C14311
Furfural diethyl acetal	4.26365718			C14280
[FA oxo(8:0)] 3-oxo-octanoic acid	4.5252823
penem CGP31608 2	7.741840411
Tauropine	13.31340255			C01616
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid	3.998499335
1,4-Bis(2-ethylhexyl) sulfosuccinate	3.589424674			C07874
2-Aminomalonate semialdehyde	10.70862058			C11822
A-Ketoglutaricacidoxime	7.901420539
Zoxazolamine	5.814205043			C13841
N-Acetyl-D-fucosamine 2	8.217878372			C15480
Diethofencarb	4.056531579			C11077
Glu-Cys-Cys 2	16.19997823
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine	7.830176152
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic acid	3.731355337
Cys-Met-Met-Phe	12.55013809
(-)-Medicocarpin	14.00257167			C16223
Nitrilotriacetic acid	13.54409786			C14695
(R)-AMAA	8.659579425			C13739
Asp-Asp 2	12.8195013
Glu-Glu 2	13.02297605			C01425
Glu-Met-Cys-His	12.8820527
Leu-Asp-Gly	11.52607077
PG(36:3)	3.541085128
Asp-Met-Cys-Cys	14.32314546
Asn-Gln-Tyr-His	12.2266304
UTP	17.67241661			C00075
LPA(18:2(9Z,12Z)/0:0)	7.364927775			C00416
N-Acetyl-L-phenylalanine	7.398267444			C03519
N2-Acetyl-L-aminoadipate 2	15.31861266			C12986
L-Arabinonate	13.42087283			C00545
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid	3.815943556			C04742
N-Acetyl-L-glutamate 5-semialdehyde	7.416784212			C01250
3-Dehydrocarnitine	13.37404645			C02636
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamide	14.78053131			C04677
LPA(0:0/18:0)	7.381761409			C00416
Cyclic ADP-ribose	13.79301929			C13050
O-Acetyl-L-homoserine 2	12.98795458			C01077
Maleamate	7.369127839			C01596
Sinapoyl aldehyde	4.541617577			C05610
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate	4.634224795			C00416
2-Aminoacrylate	19.91020047			C02218
4-Oxoglutaramate	16.69484894			C05572
3beta-Hydroxyandrost-5-en-17-one 3-sulfate	3.759665469			C04555
Urea-1-carboxylate	10.77153544			C01010
L-2-Amino-3-oxobutanoic acid	14.16436891			C03508
Icosadienoic acid	3.738502123			C16525
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphate	4.51401264			C00416
Oxoamide	5.420949809
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	3.883783597			C00350
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	19.91435838			C04690
N-Acetyl-D-glucosamine 6-phosphate	14.45496669			C00357
D-Xylulose	14.69150863			C00310
Sulfoacetate	17.83277426			C14179
(S)-Methylmalonate semialdehyde	14.71465464			C06002
N4-(Acetyl-beta-D-glucosaminyl)asparagine	14.60028458			C04540
Sulfoacetaldehyde 2	12.61779069			C00593
2-Acetolactate	14.65585487			C00900
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	4.589966695			C02528
N4-(Acetyl-beta-D-glucosaminyl)asparagine 2	15.80299898			C04540
1-Aminocyclopropane-1-carboxylate	14.06810775			C01234
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	3.891416389			C00350
2-Hydroxy-2,4-pentadienoate	14.66637808			C00596
LPA(0:0/16:0)	7.39328311			C00416
2-Dehydro-3-deoxy-L-arabinonate	12.40692041			C00684
D-Glyceraldehyde 3-phosphate	14.98403848			C00118
2-Hydroxyethanesulfonate 2	7.358446641			C05123
LPA(0:0/18:1(9Z))	4.606492869			C00416
4-(2-Aminophenyl)-2,4-dioxobutanoate 2	13.74228758			C01252
Sorbitol 6-phosphate	14.85717542			C01096
LPA(0:0/18:2(9Z,12Z))	4.130383094			C00416
L-2-Aminoadipate 6-semialdehyde	7.429184211			C04076
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	3.850685859			C00350
Maleamate 2	14.76099305			C01596
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid	3.807348739			C00219
1-Aminocyclopropane-1-carboxylate 2	19.88854713			C01234
Linoleate	3.769770668			C01595
2-Oxoadipate	14.39685784			C00322
3-Methylbutanoic acid	7.408236302			C08262
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	3.85066339			C00350
L-Glutamate 5-semialdehyde	13.00132822			C01165
[FA (20:0)] 11Z-eicosenoic acid	3.732586802			C16526
N-Acetyl-L-glutamate 5-semialdehyde 2	14.00770918			C01250
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate	3.659808213			C00416
Glycochenodeoxycholate	4.569219571			C05466
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid	3.851340254			C04785
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadienoic acid	3.783816036			C14767
(9Z)-Hexadecenoic acid	3.799986921			C08362
N-Succinyl-L-glutamate	14.89503233			C05931
Oxalosuccinate	16.36929888			C05379
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate	3.631076229			C00416
5-Hydroxycotinine	7.47978605
N-Formyl-L-methionine	7.41578685			C03145
Octadecanoic acid	3.752110136			C01530
Docosahexaenoicacid	3.725446905			C06429
Docosanoic acid	3.697852352			C08281
L-Glutamate 5-semialdehyde 2	8.371853678			C01165
Orotate(Fragment)	12.19383654			C00295
4-Amino-4-deoxychorismate	13.07107597			C11355
Icosatrienoic acid	3.752073582			C16522
Phenylacetaldehyde	7.424749827			C00601
3-hydroxyacyl group of bacterial toxin	4.204818596			C11548
5-Hydroxyisourate	13.04983414			C11821
(S)(+)-Allantoin	13.75959121			C02350
N-(L-Arginino)succinate	16.4968689			C03406
10-oxogeranial	4.321411204			C17622
9-Oxononanoic acid	4.586600407			C16322
[FA] Methyl jasmonate	4.196247043			C11512
Traumatic acid	4.216224703			C16308
CMP-N-acetylneuraminate	14.9412333			C00128
5-Hydroxyectoine	13.47887845			C16432
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	4.24859254			C05453
N-Formyl-L-aspartate	15.28706812			C01044
Phosphodimethylethanolamine	14.58606926			C13482
Abscisic aldehyde	4.303040875			C13455
2-(Acetamidomethylene)succinate	14.52019103			C01215
[FA (24:0)] 15Z-tetracosenoic acid	3.677698684			C08323
CDP	16.78618466			C00112
L-Cysteine	16.10894559			C00097
Pseudouridine	17.2203333			C02067
N-Succinyl-L-glutamate 2	17.25675214			C05931
5-Phenyl-1,3-oxazinane-2,4-dione	4.511756679			C16596
Cyanuric acid	11.64030592			C06554
Salicylaldehyde	3.96020212			C06202
cis-1,2-Dihydro-3-ethylcatechol	11.91996894			C06727
S-(Formylmethyl)glutathione	11.96837623			C14871
N-Hydroxy-1-aminonaphthalene	5.6409693			C14789
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	4.114335347			C14791
cis-3-Chloroacrylic acid	7.671277397			C06615
Dichloroacetate	7.395475873			C11149
hydroxypyruvaldehyde phosphate	12.54777064
Obliquine	4.641412751			C12183
P-DPD	14.84762151
herbicide 14A	11.57782647
Met-Met-Pro-Tyr	17.34558493
PS(P-18:0/17:2(9Z,12Z))	3.552363111
metabolite 2	14.34479167
PS(40:8)	3.649416342
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-phosphocholine	4.432966941
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid	4.106726808
Indoxylsulfate	7.419286225
L-Glycericacid	13.36059117
L-Ala-L-Glu 2	14.78574245
phosphinomethylmalate	13.3334148
LysoPE(0:0/20:2(11Z,14Z))	4.465231877
2-Butyne-1,4-diol	17.85618778			C02497
octulose 8-phosphate	16.02582756
Vinylacetylglycine 2	7.369363094
2,3,5-Trihydroxytoluene	14.84536388			C03338
Ala-Asp-Ser	14.71114762
3-dimethylsulfoniopropionaldehyde	14.62945674
PS(15:0/22:4(7Z,10Z,13Z,16Z))	3.594237981
Muramic acid 2	12.98831973			C06470
Glucosyl sphingosine	4.554659178
MG(0:0/24:1(15Z)/0:0)	3.611756185
Asp-Ser	15.4834702
Sedoheptulose	13.70354298			C02076
2-Dehydro-D-xylonate 2	12.88424578			C02928
Lys-Asp	16.58522538
PI(38:4)	3.662045012
alpha-(Methylenecyclopropyl)glycine	23.00401696			C08292
Hydroxymethylphosphonate	14.1588455			C06455
PA(36:4)	3.609996166
Benzofuran	4.261381204			C14512
indole-3-acetyl-valine	8.465407521
5-Hydroxypentanoate	7.411303389			C02804
PA(36:3)	3.656282364
6-Acetyl-D-glucose	15.77952844			C02655
3,4-Dihydroxypyridine	19.90296628			C02932
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	7.389492849
N-Butyryl-L-homoserine lactone	7.418123835			C11837
Clitidine 5-phosphate	13.43067476			C08429
PG(P-16:0/15:1(9Z))	4.082887282
Camoensine	8.458324033			C10758
ADP ribose 1,2-phosphate	16.43466417
1,2-dioctanoyl-1,2,6-hexanetriol	3.672146897
Cholesterolsulfate	3.588732049
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 2	10.93373349			C06326
melibionate	14.89583844
2-Butenoate	14.65984707			C01771
Ala-Asp	16.05518144
Phenol sulfate	5.176106923			C02180
Tetranor-PGE1	4.559994964
PI(38:5)	3.666715001
Galactinoldihydrate	13.8503126
6-Acetyl-D-glucose 2	14.01298361			C02655
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate	4.057523103			C11494
Thiopental	8.033128216			C07521
Demethyltorosaflavone D	4.812966883
Glu-Thr-Thr	13.83511482
PIPES	14.19101984
N-Acetyl-L-leucine 2	11.73450342			C02710
PI(36:4)	3.676457831
Fagomine 2	13.14336898			C10144
2-Octenedioicacid	7.301107833
Asp-Gln	17.00572398
2,7-Anhydro-alpha-N-acetylneuraminic acid	12.98489284			C04521
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosphocholine	4.471175719
Glycerophosphoglycerol	13.19644854			C03274
nocardicin G	13.85241195			C17355
Gentisyl alcohol	12.85188505			C10792
sn-glycero-3-Phospho-1-inositol	15.83116802			C01225
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate	3.772632864			C04555
7E,9E,11-Dodecatrienyl acetate	3.918743452
(1S,2R,4S)-(-)-Bornyl acetate	3.935508216			C09837
[FA (14:2)] 5,8-tetradecadienoic acid	3.82695642
N-Butyryl-L-homoserine lactone 2	4.957546836			C11837
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine	3.901451111
N-Glycolyl-D-glucosamine	15.21497172			C03146
PA(36:1)	3.589678378
Ethyl 3-oxohexanoate	7.377532875			C02975
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro-	13.95355456
Thr-Ala-Ala	17.93902737
N-Undecanoylglycine 2	7.327220482
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine	4.597940838
Asn-Asp-Gly	15.65096276
8-keto-7-aminoperlagonate	4.821822591
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	4.75861349			C04718
10-Hydroxydecanoic acid	4.027718347			C02774
Botrydial	3.88670908			C09622
dihomocitrate	17.37592473			C16583
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3-phosphocholine	4.79296234
omega-Cyclohexylundecanoic acid	3.78394325			C12100
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	4.697019176
N-hydroxyisoleucine	8.460362957
[PR] 9-Hydroxy-helminthosporol	3.897057118
Ala-Ser-His	14.49270986
Ala-Asn-Asp	15.12556037
Cer(d18:2/16:0)	3.866242986
[FA methyl(14:0)] 12-methyl-tetradecanoic acid	3.812900637			C16665
(9Z)-Tetradecenoic acid	3.865226166			C08322
Cyclohexane-1,3-dione	4.399335853			C01066
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	3.834918564
[FA oxo(16:0)] 3-oxo-hexadecanoic acid	3.773339451
Ethyl (R)-3-hydroxyhexanoate	4.597244977			C03864
[FA (8:1)] 2Z-octenoic acid	4.348771107
Glutarylglycine	8.461041629
16-hydroxypalmitate	3.785166664
PS(13:0/12:0)	4.176897616
Brassicanal A	4.422050014			C11048
N-hexanoyl-D,L-homoserine lactone	4.511086053
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid	3.815741559			C03045
Stealthin C	4.82169889			C12392
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl)-cyclopentanebutanoic acid	4.214459769
[FA oxo(7:0)] 2-oxo-heptanoic acid	4.322040085
Xylobiose	14.7377583			C01630
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	4.614501026
Glu-Ser	15.09932631
(+/-)-6-Hydroxy-3-oxo-alpha-ionone	4.360909132			C04223
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	4.754454839
3-Hydroxydodecanedioicacid	4.793915733
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoserine	4.22681886
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol	3.555066661
10-Oxodecanoate	4.21588438			C02217
[FA (10:1/2:0)] 2E-Decenedioic acid	4.650442814
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	4.219741561
Neuraminic acid	14.20493811			C06469
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine	3.82927069
Dodecanedioic acid	4.117562882			C02678
n-Acetylasparagine	11.19301887
Aspidinol	3.954860271			C10673
N-oleoyl threonine	3.696907397
3-(ADP)-glycerate	16.32327744			C02509
Asp-Gly-Tyr	14.01078596
Leu-Ala-Asp	10.75981845
Asn-Asp-Asp-Pro	14.33869643
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2,4,6-trimethoxy-beta-hydroxychalcone	4.819839767
Hymexazol O-glucoside	12.86522787			C11102
4-Nitrophenyl-3-ketovalidamine	14.16548123			C03995
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate	14.11715499			C04641
Asp-Gly-Ser	15.5303863
N-Acetylgalactosaminate	15.14108114			C03408
(-)-jasmonoyl-L-valine	3.843399384
PG(40:8)	3.538750959
sinapoyltyramine	4.108440184
Val-Asp-Ser	12.97364067
Met-Ala	7.382055219
nonulose 9-phosphate 2	14.34432504