metabolite_name	1h_DHA_R1_troph_b	1h_DHA_R1_troph_c	1h_DHA_R1_troph_d	1h_DHA_S_troph_b	1h_DHA_S_troph_c	1h_DHA_S_troph_d	1h_DMSO_R1_troph_c	1h_DMSO_R1_troph_d	5h_DMSO_R1_troph_b	5h_DMSO_R1_troph_c	5h_DMSO_R1_troph_d	1h_DMSO_S_troph_c	1h_DMSO_S_troph_d	5h_DMSO_S_troph_b	5h_DMSO_S_troph_c	5h_DMSO_S_troph_d	3h_OZ277_R1_troph_b	3h_OZ277_R1_troph_c	3h_OZ277_R1_troph_d	3h_OZ277_S_troph_c	3h_OZ277_S_troph_d	3h_OZ277_S_troph_e	5h_OZ439_R1_troph_b	5h_OZ439_R1_troph_c	5h_OZ439_R1_troph_d	5h_OZ439_S_troph_c	5h_OZ439_S_troph_d	5h_OZ439_S_troph_e
Inosine	541446.8002	735568.0283	341881.7348	429473.4343	711795.0359	1507868.336	759568.536	275163.2221	1096517	1458260.179	1222458.651	985868.2403	1494598.05	1256783.869	1141815.7	1978723.272	693728.902	1029438.771	858514.3889	706813.837	1664021.282	1087688.661	1115850.999	1261608.17	938814.9826	1176346.831	1544731.876	1361204.65
Adenosine	267341.3609	158832.621	128100.872	249025.8787	191672.8043	236775.1814	177374.5336	170672.2044	246560.7811	118929.9074	154888.3074	170467.8589	281615.9435	332738.7584	206134.5051	277910.4885	171537.9207	126248.3004	166964.7254	201212.2969	204296.0485	280002.8472	275341.6689	127674.3691	137904.8382	233773.2226	269151.0355	188536.5429
Damascenine	139971.8186	279986.4274	75106.0664	139967.3383	103845.9279	276305.8727	177110.2312	98399.42354	118586.5941	168778.9774	80753.765	311589.082	310560.4289	169275.1614	108933.0082	182358.0633	161153.3415	126393.1887	176940.4841	216115.379	358478.6468	208357.2613	158339.3525	148665.7198	57240.9823	97603.57866	214636.4814	131920.9731
IDP	64007.64276	0	13975.67015	47370.86628	306936.5009	1233556.951	0	22437.52353	51397.00133	0	0	329263.2791	1372377.924	58982.50612	404697.4562	1274508.913	41958.0788	0	0	299018.0277	902345.2497	0	45588.00947	0	0	417553.1725	1272125.728	0
AMP	13168403.47	12622125.16	6691176.051	11917219.32	6346019.838	11848248.73	12914949.44	6458747.483	10119129.58	8802740.081	6755641.896	6642643.538	12998864.85	10846724.47	9769958.449	7413627.501	12759329.69	9709350.775	7863963.976	9752499.052	9382929.357	9707694.947	9436041.256	8981211.138	7211699.801	11040471.01	7358899.747	11548142.03
ADP	2614661.313	2922899.942	1973889.884	2345621.026	2600423.053	3534343.367	3309486.266	2629040.762	2939928.464	2563408.026	2453273.061	3033013.251	3254542.798	3222206.72	4100955.796	2713634.007	2250207.496	3612887.839	2051493.171	2779159.867	2100448.567	2358301.244	2772305.972	2943602.174	2577352.186	3829765.377	2621372.024	2871774.142
Glu-Pro	3297343.356	2567739.958	4313855.669	2842288.05	1574379.457	585920.9521	3366363.703	4672831.618	3087781.596	3738169.86	5180672.68	2255148.6	1258746.967	2926026.879	4277621.233	2457085.427	2788334.96	3681705.184	4219961.051	1940631.456	921525.9626	2814345.596	2107248.477	3185011.517	3411142.529	1769864.639	982263.8357	1383841.039
Homocarnosine	188128.8987	126617.2627	109351.1753	178551.9931	131764.041	187060.538	85054.87424	125131.7322	315397.34	125288.8657	89885.45624	163181.8181	187151.3102	250924.9942	134828.8486	207597.3825	166254.1114	123907.9906	141512.4706	189697.5853	190172.2214	173073.5336	257875.6056	100878.3029	122145.3073	176504.7777	213903.8985	137129.9012
Vicine	111510.8979	113351.7017	97429.69262	130811.079	63395.22948	91099.59288	114242.3005	98701.60352	126037.9241	143909.8477	116161.7261	76852.43879	112766.3807	127443.7771	82787.26336	117340.5501	124844.755	131300.0386	127205.2893	88073.14165	119063.3318	74302.288	157453.2001	131069.1241	92592.46841	90229.883	134684.7624	92582.92219
ATP	1003933.201	2242980.62	1888497.344	845829.8752	2676424.619	1679047.641	2479679.374	2585765.57	1605091.048	2204248.387	2312011.419	2700743.859	1852724.807	1822144.586	3046982.514	1738107.153	1060059.146	3218120.833	1908610.914	2215503.506	948772.2112	2234940.265	1868435.051	2088363.938	2298820.441	3076109.924	1686505.986	1880119.51
(1R,4S)-fenchan-2-one	1117142.789	1264056.677	648074.9624	1419106.825	1752362.978	1130105.102	1053549.613	797269.7681	1516940.97	1477975.811	1124543.314	1550184.242	1419667.341	972131.1796	1593593.332	1066729.407	1580788.17	548698.2081	689229.1797	936226.2947	1650721.547	1077945.675	903471.9541	1125026.702	645981.7404	1501535.588	1632384.607	1503896.267
Iridodial	118563.6982	0	0	132533.0166	82775.53549	95735.31029	0	98671.8228	121908.1842	0	93550.17251	0	119135.0924	100095.5328	239385.907	0	135444.8757	0	0	0	139069.5911	0	85310.18618	122113.9745	0	108810.9363	108362.6569	112231.2288
Biotin amide	504529.181	1084834.413	948191.9731	595408.4338	1276808.564	2534277.123	1033979.328	874585.1705	438820.8213	1166621.369	1312289.458	1447362.721	2349752.275	480041.1537	1182212.675	2523631.731	474915.1015	877460.2557	1514011.244	1559542.412	2328283.307	1001666.238	592940.5352	1067553.366	1184713.458	1264855.034	2727419.377	772762.1936
Ala-Gly-Pro	83992.29533	52020.1542	85781.44727	57913.15152	18239.76457	0	93348.05639	103707.1328	131822.6421	91803.53663	180825.0602	67518.67331	0	131518.1013	93669.6201	29615.37815	81412.89106	69933.29413	142815.4223	20359.03417	0	29658.07611	52641.45645	57888.25982	99565.12698	26066.70456	0	24169.73828
Cys-Gly-Pro	1515059.112	2333316.397	3382288.297	1405933.788	2389150.883	5186561.264	2699043.826	2913911.418	1067460.844	3362068.868	2874923.273	2844858.212	5158212.952	1373208.226	2738840.319	5702467.984	1207712.205	2470630.844	3433280.638	4256850.159	5585145.569	1851958.34	1177709.754	2684741.818	3072904.302	3631050.425	5488794.819	2266320.393
Linatine	400516.763	221574.2294	515042.9425	565917.4628	229812.0175	277282.9926	191221.781	665415.9421	786803.1037	321326.4321	615731.2335	224004.3146	183695.7354	1003506.352	341973.9132	387871.184	292371.6779	234980.1932	140133.3587	275268.6014	218118.229	102888.3394	472508.439	250035.615	877837.1105	568999.9653	464892.9285	310054.6445
Glutathione	95105136.19	141676915	68570729.78	62935801.49	130468048.4	121559954.5	154979393.3	88016264.72	39494811.73	107201686.1	110364446.8	121857687.3	101270226.2	37443487.2	98355286.4	95009595.16	85305232.78	151128155.5	128491554.3	107491047.9	89289166.47	139826431.8	86497044.85	124293547	83262352.25	96512726.68	100221206.1	99241845.59
Ala-Asp-Ser	344060.388	217456.2342	222015.4161	327258.4981	420291.1203	309911.1895	151167.0491	186423.6925	343143.5071	230344.2031	266278.4329	480412.8865	351774.8131	340084.2335	394264.2143	324186.6392	282780.786	187441.0615	215794.171	426148.3931	366081.3971	188164.073	353326.6673	239343.6636	258973.3691	416522.8809	323826.3684	221907.4733
Asp-Ser-Ser	160791.3389	55989.03306	131930.7062	168882.619	110816.288	70793.37632	67650.30243	138719.5201	250374.782	110665.0482	127647.1639	104829.8014	75529.36813	246357.7153	161312.997	99038.51706	164326.9514	72586.75021	67259.88159	127078.7332	64755.36593	60235.69051	152550.6606	93962.90817	198424.0605	194088.3501	96476.10648	149746.6834
Tussilagine	232678.9452	401127.7566	499900.8733	185917.6398	497743.5455	550214.3985	451742.2799	490993.9441	167104.2924	334988.3283	381579.264	729698.7522	583840.0472	248864.7434	508684.4024	585515.1642	234920.2669	473291.5907	371819.1	526089.6186	542097.7505	344648.6645	149093.1501	412809.8177	491602.3579	620067.0333	579577.4388	236800.9396
2-Amino-9,10-epoxy-8-oxodecanoic acid	103864.3306	341553.1237	314484.5831	111103.5715	303185.1175	319511.2763	288655.5523	312564.8513	109639.0109	328530.8158	388748.8562	297370.7262	238503.9234	115374.5558	272411.7476	267852.8546	117041.0009	361924.9944	325698.5311	292365.7511	346484.6479	195724.2467	97088.20869	294281.1858	297298.9848	272336.7972	253140.6321	186263.0306
Dethiobiotin	75312.69429	81408.91714	68137.26787	79280.01618	31683.13934	20458.17098	100182.7763	82517.30611	113568.9287	89124.67927	113302.9211	51479.67299	32403.56157	125461.464	88516.67393	39395.60829	78223.42888	74489.01782	89516.83053	28444.5683	0	45263.46361	88367.07659	63802.27709	99608.24351	38558.15096	22923.12466	58420.6472
Glu-Val	151786.4257	117685.0967	152476.7295	144462.4853	139052.5877	157937.372	125248.814	131694.9792	105996.608	109059.9236	141160.6633	106809.9331	166914.7889	114187.998	128095.8452	141933.5499	127203.4424	136055.457	147934.4921	136003.8271	144554.3011	119110.6338	137648.559	129940.7717	112296.2151	135585.4837	146133.962	118123.4596
Leu-Asp	420605.2997	196201.0745	229859.0573	401611.5392	683023.1166	603786.5629	200644.4852	230824.3956	483186.0305	196523.8143	244495.6474	677452.4465	703666.1057	578201.4099	689251.4712	634439.3476	374735.3384	220551.2668	264272.832	688437.1835	614602.4454	175764.8445	523187.4998	187221.5155	296716.3327	801873.065	741459.961	226065.9886
N-(L-Arginino)succinate	905082.5687	1060040.524	837579.4367	861915.303	715186.479	923526.846	1078737.7	824225.8573	1036118.822	1338889.794	1169037.075	746864.8303	857075.4307	1126428.993	687664.0169	892772.3262	1049654.915	1157173.828	1037582.553	716192.2085	949444.5284	1110926.233	952616.9211	1205785.131	1140830.838	755349.9554	939758.8307	1243721.026
Met-Ala-Gly	621777.3077	1784818.621	1528197.836	549813.8371	1861047.303	3583711.711	1458187.087	1624383.857	453539.1991	1955221.049	1727235.03	1870942.18	3797866.63	371691.7093	734690.548	1196773.7	592606.0193	1548781.495	1676219.544	1800963.568	4747542.437	989979.0414	561006.4652	1855389.517	1556987.63	1804041.66	3381461.04	1217357.091
Met-Gln	193377.7536	809969.5529	609523.7654	139116.9581	849742.1563	1607642.804	896403.1316	616121.9661	105350.6286	981493.753	515923.355	860557.206	1376925.921	148515.803	887395.1625	1362106.051	196280.0951	828009.4765	889886.2513	783223.1099	1468137.971	532677.8094	150599.7837	823407.9619	468287.4242	680031.6882	1198609.093	449101.0693
Val-Gly-Ser	511402.9048	262251.5634	700255.9744	639060.3224	218489.026	261037.428	333419.7004	704320.7933	807996.1669	380435.933	865210.609	188436.7458	177548.9066	1019428.099	312907.6926	329841.3522	392777.7824	463656.2737	284451.0527	241129.9162	172482.3137	149555.585	530131.9839	395342.9658	1279755.876	617097.8504	338500.5402	404314.8877
Lys-Asp	300206.038	233664.3283	334429.5066	280676.443	307355.9326	296511.2241	342321.4806	297930.7819	417182.4031	375819.0156	523392.7288	353769.6572	281541.2425	452925.5498	370746.4408	303710.452	282397.9378	349341.0161	405741.3091	321140.7398	290956.3158	368131.1834	329701.8179	298818.7272	391155.5904	334938.7126	293316.611	303359.3723
Aspartylysine	568120.3159	439831.4212	454549.976	547961.555	329354.8478	461178.2234	386556.6455	426738.7069	632091.571	406320.5372	437630.1894	340847.9767	456826.5422	679243.2452	299577.3752	452661.6548	525157.7419	433779.5988	434814.893	362196.2471	436681.6269	297709.0371	589182.042	426310.5777	432631.8379	358746.876	432862.8356	277598.0218
Aspartyl-Arginine	219284.4155	183684.2545	180761.5162	228841.8333	115373.9817	223059.415	155289.516	184580.3572	230616.5679	158471.2874	168334.3549	157167.5221	158684.6346	251396.6364	123557.343	180042.7555	220263.6477	178612.2802	193932.9655	130418.6193	169901.9018	102737.4569	242392.5609	150323.3848	177356.1654	137863.1635	189050.1126	103533.562
Asp-Arg	177518.2633	150224.2592	170395.7232	154095.4836	202978.0571	352753.9328	162075.1995	162736.6714	200665.3603	192615.3786	158696.3929	174519.5936	306387.4484	174461.8668	184343.2971	365655.516	150568.4295	176690.4224	186855.7051	198523.7082	329618.383	187367.8778	199876.3146	198264.3331	181056.3001	198066.324	302058.6773	204052.5403
Capryloylglycine	79334.64705	358199.222	378636.4755	89178.56522	296559.0825	411279.4489	293156.4879	294445.8681	87237.03856	320475.2463	350070.9461	252900.5313	343133.9452	105720.1121	285513.2659	318017.8534	69834.77338	317209.6083	322982.5233	291010.0559	331710.3412	167967.0161	79732.88991	293621.3776	360058.3721	317257.348	308557.0238	152714.4374
O-Propanoylcarnitine	5915168.195	7239356.344	7188866.831	6699409.78	12022186.66	7212022.846	7440438.788	6522068.537	5789509.714	6773000.787	6184572.102	12827124.98	7226096.179	6755553.217	9048686.349	6660660.624	5723681.093	8527342.854	6412895.513	12172827.28	8323566.366	7294369.553	5887185.456	7090816.147	5772218.296	10309313.99	6590982.439	6336378.922
L-Tryptophan	7901042.084	8758209.293	9124330.978	7021496.789	9768026.662	11925185.41	7744061.985	7345242.236	5873206.621	7780074.344	7491404.875	9834129.148	9749148.64	6232192.818	8392984.439	9500959.516	7363955.992	8949488.54	10391666.68	9183010.057	10290954.78	8889590.088	8728338.162	7274388.895	7146138.894	8993231.35	9461442.532	8027259.683
5-Hydroxytryptophan	1096501.042	900952.0528	936594.6719	1155172.787	977651.7331	1144076.995	700148.2157	643177.2714	1418939.843	907633.2625	913282.4357	1052926.579	841488.1291	1825397.861	1071960.415	870129.8122	1176663.743	760501.0993	808920.0719	1108544.233	1055058.573	784728.5903	1179312.701	665997.9029	830158.0226	1129216.724	976342.2867	1005504.959
Nicotinamide D-ribonucleotide	490512.7415	570645.2587	595943.2356	456898.7405	968876.3907	834302.8011	481263.5841	664555.8839	694366.4596	557123.6222	780548.4532	834251.7122	792269.9021	674686.3208	877048.7601	844968.3744	660924.073	563181.1296	776090.5675	907813.5099	781299.1714	613724.3153	739304.0032	594761.5122	867731.6342	926639.344	798941.9038	622389.6523
5'-Methylthioadenosine	3464264.941	3535826.69	3375062.379	2936014.726	1590396.459	1882694.801	4200881.525	3133816.889	1989557.371	1919929.905	1203726.711	1771159.974	2206458.306	1782745.903	1167753.792	1690411.617	2300291.51	2304352.514	1977601.751	1350520.819	1821382.655	2957355.528	2095991.869	2441872.428	1232061.299	1586130.181	1783240.3	2938804.115
beta-Citryl-L-glutamic acid	148035.0653	172188.434	180245.4903	135433.5913	184027.6158	349957.3325	185981.6412	208110.0255	152245.1718	220151.981	250371.5926	228873.2107	399764.7374	177982.4554	393887.7595	308820.8391	145731.5157	260649.6059	186350.5157	251784.6994	160458.2955	216587.33	132557.2864	244977.8199	245307.3209	403613.4354	277768.9642	219768.2618
Methocarbamol	1003184.157	2603133.856	941924.1798	655861.4682	1741456.601	3104641.045	1815751.487	834750.8454	313044.9963	2806148.16	1126238.161	2043006.659	3398890.657	300133.5092	1490116.685	2673383.947	943266.6215	1870754.226	2410807.164	2090329.825	3769042.892	2520624.59	1107973.87	2345583.219	408581.8844	603390.5298	1937721.653	1525186.237
Pentylbenzene	751407.9403	1161866.191	98700.22977	957183.5673	833726.1787	353587.686	502375.8437	705214.0159	855727.5914	1591740.332	750301.4044	342737.684	582329.6849	258198.1966	710103.5296	356002.0327	765124.0502	0	350738.1033	549268.7106	809214.0007	311761.2039	257904.7739	990503.1947	250699.9719	350403.2548	958960.8284	1055601.454
N-Ribosylhistidine	146370.9426	206236.3885	192523.7638	151880.9141	161540.2885	165854.8295	210192.5932	157377.1379	122557.9512	183947.6892	171651.8203	181826.2224	206856.6234	189905.6336	191232.1219	167489.9163	122567.7387	202106.9435	186700.8394	202527.3716	178729.174	178355.6691	181156.2776	209071.7822	206230.4797	226528.2105	182244.7511	153266.9495
Ala-Asp-Asp	81330.98045	92507.84104	92158.42145	65910.119	69870.30939	91602.09758	81196.58984	87907.92639	89003.54997	97880.12371	89744.6789	69699.44044	102409.0911	80698.24283	83752.21579	76167.44815	86857.12613	81789.44701	89075.59608	74619.80384	75865.02147	76440.43704	78507.25507	95749.79077	91899.55105	90928.37785	101952.0039	60640.10156
4,8-Dimethyl-1,3E,7-nonatriene	318680.1422	374776.7359	97335.59793	308274.2469	329216.4817	331896.2546	279830.3284	133673.0794	270741.4182	378543.126	216533.2052	321528.2555	272382.9942	232611.3262	442081.317	223387.0145	365446.0679	0	116623.3427	145354.4026	367921.1418	275927.48	144427.2489	167611.5772	248638.4297	430113.2163	330702.8441	362155.4575
Ophthalmicacid	133275.7769	101370.9127	165594.6316	127996.4915	364788.1511	125745.2859	112412.174	141761.8692	82927.2876	70780.98911	123848.1499	384424.5707	112654.6481	121219.7725	356983.1348	108540.1177	165584.6454	102719.318	117969.4761	365315.3116	98812.91074	83743.92586	77530.45278	86514.64239	139403.9499	341601.5866	127317.2882	68824.49481
Glu-Ala-Ser	549392.9258	237535.9183	287284.3304	363359.0769	381520.3794	392874.6323	211670.1946	260034.7143	364944.025	131771.9395	222933.298	444650.5503	401589.3019	259597.568	419808.3526	330722.9575	500272.811	224837.1933	225780.5715	405094.2069	405097.5233	225433.9262	486383.4496	264968.0312	264931.1551	368512.986	271495.8088	236016.2242
Ala-Asn-Asn	128361.5734	166360.5353	134987.6163	130003.9088	132610.0234	155939.0138	127868.846	106893.4284	132235.3246	110392.4275	117720.07	149541.1617	154879.6916	141155.4113	118137.0959	154263.7553	139412.0019	147820.2879	103942.9752	124855.2123	125405.8421	115743.291	151785.7392	131285.3848	116207.0155	177262.4963	178222.8495	153617.1154
Mycosporine	1310611.601	1612335.349	1962781.979	1343244.625	2045328.127	1839253.082	1423954.399	1469408.902	1417492.675	1553335.437	1596865.522	2041184.139	1636059.803	1470229.483	1706436.188	1509227.599	1439297.229	1492551.162	2054528.521	2101615.139	1948446.247	1240253.771	1681102.11	1497936.412	1647121.421	2083717.812	1856988.039	1394442.887
Lotaustralin	6181936.273	6099902.582	6248784.246	5524620.607	7718790.299	6521160.695	5266838.268	6648710.645	6475409.238	5544009.281	6647257.989	8123845.818	6632320.88	6343204.585	7671712.339	7413627.501	6251448.892	6101450.587	6142094.999	6459378.392	6328906.543	4772494.318	5307265.626	5370987.989	5731900.305	7384685.905	6780429.954	5180210.068
O-Acetylneuraminic acid	427904.1159	477244.2158	304878.3216	379584.0087	446299.9001	516877.2061	425643.8409	544482.94	424480.4949	568844.2854	421585.2054	468682.8815	451180.3965	467048.0222	422351.9843	444540.5387	469772.9549	395638.6833	345032.7141	340464.28	407485.772	493320.454	421745.8298	533552.704	456131.7354	386172.7815	714989.6481	488475.4688
L-isoleucyl-L-proline	8486304.46	5341635.282	5506929.133	6892661.986	10382797.57	11232755.29	4515960.282	5039200.27	7474740.493	4815726.782	5802802.083	7838798.596	9522424.253	8172189.666	8524124.821	8853166.822	7363955.992	5734352.277	5575580.651	8186404.314	12182674.41	7696665.783	7393080.922	4960555.861	5265162.7	9212578.456	10722968.2	5977178.475
Leu-Pro	3056916.84	2059188.954	2584697.07	2873285.382	3880489.647	3530189.94	2094705.314	2165545.054	2901763.676	2088095.578	2177930.823	3676247.961	4233366.39	3358311.939	3504239.191	3690884.168	2939617.592	2179759.38	2284370.773	3553072.811	4008802.086	2778788.937	2844774.573	1978733.421	2256350.249	4347275.391	3799748.961	2465408.332
Glu-Leu	547889.8531	249242.8588	317049.4533	471037.6355	769968.8855	947261.4271	192134.593	277204.8116	650526.605	240937.5327	303702.4733	705690.4269	751699.5093	697593.2006	858933.0278	813153.9256	564985.7616	263381.7856	314886.3047	818973.2265	775282.8409	217183.3874	655061.779	212340.3893	333859.455	956629.9427	795975.0407	261432.6529
CDP-ethanolamine	270768.575	263731.9262	295659.0146	236505.6722	95802.51507	32869.91327	258807.3637	273283.1805	397451.1388	319664.9694	423912.6411	73649.55471	35968.17375	400789.4871	110244.9857	55942.96658	310322.5055	294290.5012	410960.4886	111558.4006	48666.03629	293365.8733	425395.6611	342441.6275	464850.7624	158531.8757	68893.12147	341998.7338
Lys-Pro	151497.5324	119468.4952	220360.2486	84199.42216	47541.86736	0	228883.6529	328554.0704	208275.2383	197149.8247	286865.52	113052.367	28613.42357	189126.4781	98865.57618	72500.73341	107433.1345	141185.9651	168524.6383	24045.19351	0	103827.6452	141890.981	149795.6008	188187.1756	23080.35654	0	104821.2462
Leu-Cys-Gly	478812.7522	821175.7675	864040.6186	367621.5764	827369.3621	1333601.659	785560.7798	1013468.821	278070.6839	739502.942	1250797.816	911210.1863	1379485.45	314623.2891	1125454.052	1377111.899	293560.2551	910707.658	690433.1737	874722.6399	1156432.518	423259.8693	410795.1811	852800.5792	1233908.642	1159153.4	1265080.896	729317.2713
L-a-glutamyl-L-Lysine	306197.7073	126574.3035	342220.4756	377260.7548	123789.6085	152393.7235	134228.9541	308168.9652	674194.1825	191059.1565	386531.5759	132364.9176	127649.4433	611432.5977	168608.4286	165050.7857	232143.0393	171885.9032	101850.4015	171855.1726	142754.8738	74789.14783	271813.3266	238791.1337	534379.3338	307126.345	253515.0819	261311.42
O-Butanoylcarnitine	745252.5347	1062495.935	860837.702	735056.9865	1660030.877	1453612.589	731013.1792	833131.4886	817741.4928	805399.1865	815346.5305	1584826.031	1401081.042	977323.2132	1450727.032	1333085.388	783432.2301	847863.094	934838.3721	1727150.675	1344300.329	823890.4559	779832.9799	870987.7322	822936.9804	1780445.761	1688684.571	699987.8099
Hydroxybutyrylcarnitine	882706.4334	775940.7972	776001.3315	964381.8094	1293672.499	1480309.906	701003.6798	652400.0621	850796.3092	680485.0365	704516.63	968104.5428	1378331.706	947329.1412	773831.4441	1360029.335	897157.685	863991.0112	769917.7069	1069575.346	1491460.131	635370.7495	712330.5387	659127.7776	702628.4541	944418.9807	1348209.13	617244.4137
Lys-Val	4404232.165	1606826.371	2217145.101	4687121.592	3092027.855	3048664.994	1756993.714	1634313.548	3998632.202	1901060.447	1903782.527	2847179.565	3507890.296	4652007.452	2542577.755	3213279.571	4099629.499	1621609.225	1805740.435	2697969.778	3740035.264	1841176.007	4374566.419	1463777.237	1896084.541	2932771.891	3279674.491	1426402.934
Indoleacrylicacid	2649749.622	3143953.71	3925452.254	2163862.012	1299505.821	2959058.189	2637429.226	2407956.727	2268340.335	2776097.915	2595972.452	1332291.295	2678158.771	2565021.143	1319013.239	2871717.017	2277672.682	2682899.415	2911644.95	1279221.508	3023604.908	3020490.725	2458882.554	2908528.741	2894898.571	1414995.66	3175575.846	3045898.02
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	1386502.299	2001088.968	1529332.433	1356173.922	2523489.256	2667662.052	2158420.612	1530820.51	1891176.399	1894193.003	1522404.469	2367374.186	2568518.636	2160827.986	2171847.993	2278883.595	1261219.001	2130122.224	1602131.7	2585369.346	2383047.833	2281677.917	2362778.047	2066442.366	1710878.584	2759607.952	2683819.472	2498271.141
Dihydroferuloylglycine	1198329.471	1000973.486	879092.8616	1336031.647	1000699.068	948370.277	1092032.833	630596.1696	1621395.118	1218601.44	748059.0831	831834.3336	1022322.933	1452715.83	749275.2437	864473.5024	1513842.883	652228.2239	945424.9703	1112474.152	1328778.202	948054.6018	1537108.022	879068.4165	639874.3731	888457.0449	986866.3894	959141.199
Thiamin	736963.0708	475259.6121	895158.4582	619100.1476	1076627.715	647269.2029	559592.5003	854342.6169	755672.8573	816680.0396	926884.1849	976546.8399	652004.3091	771673.2177	875939.9682	745358.1469	736826.8645	587701.3034	908154.6083	945090.2129	800576.9764	602498.3458	929358.9469	689896.2442	881362.4024	982487.1279	675661.9358	587421.9008
Cerulenin	370135.3815	4545127.666	5512967.781	368747.4315	774046.5243	8616908.166	4314645.279	5044114.3	324687.4702	4128862.047	5328750.331	753658.975	7131852.142	377493.2675	898341.6961	6634587.688	396070.3275	4893516.59	5247881.198	704551.7645	9080254.217	2594967.721	396308.081	3982124.277	4244915.662	909761.1326	7849493.063	1891420.112
Glu-Asp-Cys	171012.5462	178956.4852	180093.7811	192905.3578	159768.4248	126711.8149	163054.0114	186628.0612	258755.6066	195225.1649	195353.829	158298.0684	120138.5721	276074.4436	250985.5402	132458.3784	163743.85	192169.6868	183174.9136	233862.8362	103310.1194	180727.4026	200936.96	205659.8116	210523.8792	252496.0289	106471.8796	182889.6396
Slaframine	2171518.2	1841706.303	2084576.867	2171821.91	3510107.593	3367703.519	1917770.305	1936517.076	2156536.036	1972461.346	2067876.065	2602322.22	3420027.794	2565263.709	2638570.383	2976337.337	2190433.864	1872270.996	2071222.944	2590353.799	3292500.557	2456502.593	2111736.494	1634043.158	1964926.772	3616632.374	3391910.327	2163537.869
Glu-Cys-Thr	343838.6742	253493.9176	270634.1026	332306.9301	305512.495	258551.2191	195837.0088	150954.6219	339928.9372	261621.2211	383550.7743	315308.1243	278059.3463	333246.3628	290957.9687	259203.4276	282389.6442	299352.239	369797.8594	339572.4514	254922.5566	186981.8383	305927.196	258869.002	179507.0139	338249.2774	213312.7993	210804.8201
S-(2-Hydroxyethyl)glutathione	343838.6742	345956.1095	270634.1026	130795.3571	407822.072	325677.1261	357158.3613	249410.6287	339928.9372	261621.2211	383550.7743	396547.54	398331.1308	333246.3628	337606.7336	403780.5227	208628.2783	370013.807	369797.8594	394101.8236	254922.5566	453043.1497	269542.5089	273163.1609	232167.9727	338249.2774	283649.6887	216268.281
Thr-Thr-Asp	337959.7365	326042.0774	308694.9532	334563.7133	434257.4345	602930.6423	358177.2044	271179.3187	367561.3586	334862.0612	306832.7267	368725.1274	568376.7827	362875.9133	368739.911	626207.5669	332646.8211	337103.8306	325927.6261	430086.365	584081.5828	370975.6382	423025.642	362441.2861	304405.7257	433736.6934	616808.3466	375184.2766
Tiglylcarnitine	101241.738	109540.4786	94324.89707	107788.1286	99729.36425	135542.4748	109948.3573	114681.5124	133705.2769	118510.1431	147590.4165	81706.29749	166657.4331	112738.3514	76397.88364	142256.9627	90650.10461	84089.71225	90428.92635	87918.84573	143033.7488	96792.8227	107633.6667	88834.57775	98974.54613	95600.6654	136307.3998	91988.89488
Avenic acid A	557672.8338	475458.8721	458517.4356	581658.3784	652166.1424	670579.1417	428664.7283	395647.1197	608541.2792	463679.3223	419778.6565	771138.6051	656847.4254	660962.1033	635851.6815	575589.4057	521287.4726	517709.1793	446035.6549	638314.7218	730429.3169	626160.9636	607786.426	443734.2276	508047.6969	664518.9125	657746.8258	513283.3364
Ala-Ala-Ala-Ser	950094.275	752386.2587	702611.6416	883864.808	835326.8031	793298.1957	729646.3134	655441.2931	783459.1187	689066.4552	613289.5037	772759.2767	720082.4629	877179.9937	654801.0978	739609.4812	727451.3547	689283.3279	658958.9744	761714.4894	755538.4426	752277.0575	811099.8436	630730.5612	655977.2386	752717.8355	728011.6593	639676.7924
Ala-Thr-Ala-Gly	679990.3386	617791.7405	515456.8208	691583.9367	679845.861	929840.847	621553.5341	502470.6872	689472.369	631640.7235	588871.0354	772782.7931	801950.7969	762548.2718	714760.4065	830717.7448	658505.8154	643052.0432	631730.0869	677857.7241	985167.951	664973.7084	688665.3895	558311.5776	643810.5681	804987.7025	889115.0579	624817.3559
Asp-Gly-Arg	314580.8822	358504.2567	329639.3365	363442.1351	406172.1806	376193.63	299074.6374	354469.0823	364628.3921	361365.8261	331454.3869	366327.3903	412001.0526	397987.2619	334511.9025	386638.4885	371410.052	346206.7164	313881.3893	387004.3445	401844.0493	319830.5304	392156.7143	298893.6542	320921.727	347436.014	413820.5436	297957.4864
Lactose	65972.06106	55018.33153	155700.2624	65357.98135	73024.9007	97806.86649	57938.0019	59478.51455	71139.94113	57919.93935	61729.49493	68759.01844	103404.6356	87458.95953	64775.12675	99975.79211	69487.52024	57183.68971	61164.67867	68473.33805	106124.6554	71990.37874	59633.31115	45669.99114	53999.36421	63831.21314	104642.7331	54510.44095
Lys-Asn-Gly	75481.71163	66832.48237	88767.98076	77945.6852	76995.80846	99864.01506	84522.73797	71642.22186	77234.58692	63149.20819	60181.24165	79283.52416	133666.8975	116631.8309	56360.09434	93991.18292	82769.81158	69684.78224	79133.8199	70078.41832	90140.97823	51426.62879	82753.62723	79491.205	70651.43002	66508.43597	92723.82326	51981.62058
2-Methylbutyroylcarnitine	379607.5102	570636.3503	508374.2317	479651.2889	511129.5417	874418.1631	522895.7813	500861.066	451951.0055	568297.9272	481966.5558	567607.54	910082.3643	553718.8762	461886.0555	967128.3109	386426.097	545360.5661	538330.1115	479852.0507	905212.7184	503057.7619	511095.3604	474118.6873	537769.4883	503406.1782	798934.8077	563670.9025
Procollagen 5-(D-galactosyloxy)-L-lysine	110466.6161	123671.3354	162442.5036	113456.2158	108649.4553	167978.2098	111012.4659	119858.5329	110814.3686	111848.0594	135196.0711	116684.481	157739.501	128543.2037	136760.4747	166679.6582	119267.8229	147756.7814	148374.3167	120242.5628	160190.9718	143126.6863	120651.5948	127056.4723	150664.0049	127211.5766	165349.3633	102383.1883
N2-Fructopyranosylarginine	76580.65609	64370.59106	145419.8026	138599.8576	335231.396	191426.0214	46013.72304	142007.7033	56101.75942	45862.34051	15472.63951	234578.7426	236742.8181	66215.78781	304538.2109	156523.1909	206342.5127	94438.85119	57262.15364	234993.1162	282570.2754	150024.9108	50094.19834	189144.8328	55918.94148	144956.8832	126912.9649	183885.0889
dibenzothiophene-5-oxide	196338.2667	231073.0628	173612.9139	205259.8907	157579.7657	143569.0021	260175.9951	148572.563	203930.3371	205458.718	160495.4065	202381.3005	162067.2326	182425.4218	168335.6669	170779.5786	220808.1749	154045.8814	159675.5286	150422.3318	151008.6357	256440.4235	172534.2793	220329.733	143012.5861	204808.5514	233597.6941	237832.4063
Formyl-N-acetyl-5-methoxykynurenamine	483103.96	1041725.455	530471.8751	499676.2837	90402.4784	320455.3134	1059716.199	295302.5229	361547.8629	425162.0506	306209.6693	45940.37037	285289.8232	499093.8246	68060.72605	206030.8263	497718.8034	588680.4176	324192.4854	82208.7564	213148.7288	740144.2757	436972.799	539856.0908	254620.1454	80595.02707	215483.6309	582146.0689
6,7-Dimethyl-8-(1-D-ribityl)lumazine	173058.3468	154800.8126	195553.6984	122472.1054	27787.83452	0	141161.0407	263536.0519	238460.3093	207293.8932	299245.9026	0	41122.425	120011.368	38888.27407	0	199219.8903	182954.8534	277126.2003	39608.06254	0	151446.9852	195998.8757	177119.3695	290219.4312	31201.07766	0	153879.3309
Glu-Cys-Gly-Ser	95892.09688	61265.43155	74169.51775	107108.384	146581.781	179120.0596	75711.34343	75852.37933	120874.0058	80863.34718	79967.92525	181514.3741	228019.0305	102585.6478	172148.0203	222055.5756	106330.3752	79501.0678	100252.3207	173803.6703	174204.9727	62047.95128	122038.0539	89638.99003	72283.89661	192927.1356	230717.7799	91706.41505
Asp-Cys-Cys-Ser	459443.2653	265304.3521	439430.8559	571572.4652	848202.1552	198046.3987	296323.5765	795552.0262	619206.3415	273227.0292	454657.8349	402273.0698	256330.6715	429621.4366	253583.7795	320232.7196	420643.9762	336669.2052	164740.358	253856.5715	141576.8527	430072.4835	271539.1408	460431.2112	376385.5375	448563.461	260749.3402	645534.3731
Glu-Met-Ser	1360857.473	621198.641	421271.8474	966990.3921	2351608.702	4136095.532	589952.9231	529839.6297	484714.2362	464117.9886	696664.3254	2500426.924	3881991.202	516983.4907	2451244.38	4037755.563	1182575.05	623124.6033	800237.062	2470283.451	3539001.462	585619.5922	1689892.372	585233.0587	503227.9048	2228144.72	4141436.343	485613.0746
Ala-Thr-Ala-Ser	63619.18628	48823.8975	46621.42581	53971.7426	62820.98969	81227.11411	52069.97038	53268.26263	46464.71326	54511.99612	51392.77234	66239.09522	72528.7299	56653.64682	64101.54672	75328.41035	49767.53761	60283.82209	59161.38651	84586.99028	74630.72173	66696.37302	72601.94578	47436.08717	54145.63162	81158.70344	66824.37268	75137.97486
Lys-Thr-Ser	281798.8733	515924.1066	449923.2144	281574.8242	527379.8152	272780.1292	499849.7603	353434.8912	284040.8524	469071.9267	451061.0827	612917.2211	192279.072	348269.3315	539983.6364	193493.7884	292718.0482	474321.8373	458284.2616	500171.596	195172.5212	526055.7588	309462.6152	392045.9541	509636.1967	663197.5747	186040.6731	434287.1375
aeruginosin A	97067.51406	56366.56984	48265.25266	67986.75489	75544.4795	54607.69603	42055.78921	59081.06116	106047.6167	54424.6292	52004.90309	34095.87332	43206.11954	111079.7567	59626.03285	56587.98704	84799.13739	60763.82152	54588.57593	88247.78122	43986.60768	57586.36371	86094.21309	43512.69308	72399.27358	60544.70232	37964.53368	63150.20837
Hypaphorine	28824172.05	30482002.93	38211592.16	24220943.05	13661575.75	29312875.1	29704383.72	27544658.38	23107863.08	29720142.25	30300057.22	13254695.81	29474170.31	26893933.26	14425442	31957772.92	24497913	28621477.5	29068581.13	13952480.4	34731972.38	30369944.74	28229490.09	33759731.15	28322311.95	16743495.77	31608226.53	30584532.41
N(alpha)-Benzyloxycarbonyl-L-leucine	43677.67393	157471.1944	220510.368	61673.97028	120417.5047	194366.373	178130.6258	142663.6599	70788.70374	169797.8292	188280.6385	114959.9899	186520.4733	61618.07792	99702.33378	168411.8176	51081.65743	191486.8662	215813.5237	121731.4317	189277.3671	132350.5883	63672.15182	155771.7273	173050.4733	134849.597	188987.5839	120419.4211
S-Adenosyl-L-homocysteine	786676.857	586745.1765	734800.5532	672581.9305	508064.2256	603003.7321	556743.6945	641997.0069	1146751.398	741660.7572	1087568.716	492748.3495	547679.0662	871560.9633	495844.8984	499905.176	940830.9566	810153.1889	989404.5399	422501.083	454740.9283	837886.1243	1082148.31	876821.3095	1162922.324	488279.2249	459950.2885	928127.1642
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene	11778405.33	19834768.1	2213681.035	16555272.25	13183420.6	5481057.949	9524775.214	12854173.91	16084885.08	22399051.49	13578171.34	7023938.379	10731620.98	4140876.735	13245178.57	6624510.913	11301120.58	2007647.629	5105026.675	10393174.17	14301400.39	7065755.564	4236730.626	18684126.74	3745118.641	7147591.425	17170766.08	17412432.91
Ala-Thr-Ala-Asp	109499.6186	103880.2913	113766.1333	121371.2423	113282.4585	102006.0886	106074.0365	106026.484	119635.616	122692.5205	105064.4869	119149.1597	99530.95494	125598.0464	104181.495	101380.0065	109272.7906	101682.3105	127803.995	102015.4891	100663.8874	103885.3334	122187.3842	93473.00114	135556.4158	109897.2186	114756.9495	93761.39791
FA (14:2) tetradecadienal	3299764.147	4721984.247	1563810.515	3778077.713	5207908.458	3202052.115	3156983.516	2721107.991	4457005.362	5022009.845	3394408.055	3120421.2	4355490.725	2919771.811	4627330.995	3092638.978	4325056.233	1596138.115	2163957.861	3220523.271	5228295.362	3091039.839	2102086.372	4517896.021	2408577.595	3913682.827	4892967.484	4522654.35
N-Acetyllactosamine	1790844.712	1183330.995	1237830.519	1659730.46	2110248.789	1471331.684	1126746.905	1013156.252	1374049.326	1118656.023	1266788.789	2005340.341	1554346.728	1543522.045	1927284.787	1363129.293	1747145.04	1195455.582	1326033.191	2010501.171	1485212.916	1258586.841	1365013.01	1078833.005	1126916.929	2388210.712	1224298.311	994901.1937
CMP-N-trimethyl-2-aminoethylphosphonate	4015676.107	3669912.084	4075149.346	3379501.159	3703790.485	1956813.098	3361414.856	3833487.305	3558851.054	3991558.476	3708575.169	3785369.026	1708420.214	4222678.868	4237460.803	1521948.268	4059514.167	3635147.158	3712144.875	4307150.274	1584526.21	4774813.923	3682160.327	3811698.177	4349702.643	4187950.427	1600086.046	4917216.47
CDP-choline	409896.4156	277536.7047	393715.7112	386173.7478	352717.7647	136201.0889	314873.2024	457118.2489	559727.0512	373602.4792	525995.4904	293621.6648	112305.6461	545113.6069	267759.1532	128350.0118	451135.4476	323332.1455	508137.0537	345757.1686	117539.2679	431181.1869	572487.4243	335820.0641	485364.1556	377172.2842	146756.8513	424324.5249
Asn-Lys-Gly-Gly	143133.1728	114448.9599	114203.7383	152584.7446	170183.199	133629.288	107408.9554	88063.78521	147956.2703	91772.47376	127115.8991	159359.5798	142594.241	188957.5088	139830.051	125050.0704	133108.7678	91013.56768	112044.8547	153676.2274	123259.4143	125530.9604	167747.9456	127491.1739	136636.8903	208361.3348	134821.0553	163681.0702
Lys-Thr-Thr	177329.9506	300455.5217	268145.0439	193985.1545	289614.7115	174674.4899	246276.9366	245280.5921	254951.9183	264895.7478	274840.4774	295959.9206	148029.5803	285112.9782	323309.7272	146504.4021	242188.5507	246360.9771	291508.8506	356308.8431	147599.6033	293405.8397	258748.636	249540.646	330353.5035	311565.9076	125039.5444	279181.0702
ADP ribose 1'',2''-phosphate	142128.1904	71548.3246	147813.5743	163543.8155	131204.3753	72292.40337	46715.85044	130717.1438	188746.5218	175751.867	255857.5417	147357.622	85657.44174	170672.6523	184122.1412	78441.52663	196383.104	105045.8948	152523.7755	156633.933	72740.81106	55753.56315	163321.8403	145663.0659	192481.2101	191281.6325	87823.99511	90749.33743
S-Adenosyl-L-methionine	1728908.406	1582129.186	1528574.008	1618643.27	861683.3127	938470.2573	1477046.243	1587614.271	1531873.01	1231764.587	1535386.505	814432.2898	961924.4068	1433694.78	637327.3386	803704.6095	1290835.501	1430942.904	1482328.071	799426.7625	731223.3189	1262078.94	1311133.116	1051914.331	1529063.437	799330.6493	875239.2392	1161620.953
Glu-Glu-Pro	399792.4551	152510.0204	365203.4902	166022.265	116511.0731	17387.3005	399266.999	582825.7377	587743.8248	696805.2403	1145051.035	286179.3491	140620.1093	592564.869	791294.917	280792.986	422137.0912	549543.1327	684470.2089	180955.5956	60516.05771	253653.6917	319750.038	522657.4724	668292.5273	325572.1342	107281.0629	223328.4361
Ala-Val-Asp-Ser	103994.1172	95990.04091	84375.0647	106392.5356	100946.5466	95847.48159	107494.7944	108560.8796	115201.8537	110761.3418	86631.35116	81863.66358	92657.18521	114451.0171	91410.4094	115823.883	88384.36096	102058.5742	72129.12676	109630.8806	88474.30233	64881.71177	142714.8654	95375.85139	90549.57002	116029.9466	78775.43395	81393.36178
Leu-Lys-Ser	54302.40937	38764.642	50245.8762	55139.98741	64807.01458	74452.36461	50860.4961	40532.52382	59226.80174	48017.90876	37399.77282	62745.66336	51674.37281	54688.25261	52974.36216	55481.40304	46339.03737	39578.8921	45515.4315	63879.54729	57818.5542	56969.2446	61396.97852	42400.28462	60993.51449	77709.67587	60858.86199	56337.10412
N-Butyl-beta-carboline-3-carboxylate	239801.1996	232639.1026	181379.1366	196119.8063	166805.684	285870.3283	281444.798	100871.4874	152645.8544	310749.0356	152738.6881	223514.5902	262648.252	181835.1553	180283.1909	255774.6923	239719.985	207229.3516	244356.2461	211425.3925	382374.8492	216013.9553	306646.5467	313619.4324	108086.9181	143579.2577	231653.2143	264042.0932
5-Nitro-2-(3-phenylpropylamino)benzoic acid	1337435.09	807827.2798	816507.6929	1056355.285	759030.4887	1076154.12	822986.588	637236.6485	1547367.739	1061788.252	629889.9469	1090727.047	855885.7889	1740647.796	976598.0797	872383.3211	1043991.96	661627.5615	869077.8165	1123314.909	1084325.651	906714.6278	1529947.738	918905.7012	777844.844	845654.7474	863072.2621	1185648.87
Trp-Cys-Gly	122876.2932	138439.1279	390039.1588	57125.03984	211281.8404	370428.5722	148352.4856	296555.4882	64363.76442	238441.8796	256922.6631	225365.4596	262367.6098	146236.9229	325741.3157	357841.1342	77370.87212	193136.5983	201854.3733	215493.7462	233525.6706	139328.8429	146151.624	177172.8583	427909.4857	439204.834	374696.2084	165589.3189
Cys-Phe-Gly-Gly	458814.0167	515573.2416	2455009.083	469231.5326	2144073.997	1351375.378	642043.7068	3370460.015	514963.4012	536476.9478	2536148.066	1877896.441	1068795.292	886889.4837	2695881.681	2332130.715	361268.3216	1214269.771	670643.1924	1504648.121	625895.3967	497253.8517	574085.0641	751751.3288	4114133.453	5150185.237	2744661.98	951465.1806
IDP-D-mannose	33168.93931	0	0	32838.87668	775860.6108	3038518.393	0	0	50707.34064	0	0	813248.453	3282236.804	62365.00909	996638.3791	3257111.384	37379.37056	0	0	774529.4155	2353491.417	0	42328.51148	0	0	1020873.603	3226044.932	0
GDP-3,6-dideoxy-D-galactose	129834.0112	252378.1314	114621.0727	187284.8388	317226.1649	274115.4854	249266.1925	251726.3588	195076.2993	269431.0927	70213.41686	518208.0102	153050.3919	203450.6318	204292.3516	244395.1565	174652.9858	244129.8316	347587.2955	421912.2403	308124.4045	434198.7271	154603.7982	288975.9062	128859.2872	221930.9236	190993.0812	320125.972
GDP-L-fucose	68000.33812	79605.60882	40487.04996	50085.00292	98075.61985	157776.3339	68495.57578	66860.48797	63835.92013	58207.26085	68301.00273	99959.1015	172075.9216	63317.53351	91083.01947	152421.3699	52393.70386	72468.9056	54255.60815	126075.2535	101915.3072	70134.47787	70232.94653	51258.02916	62305.06556	103645.2662	136255.11	55667.47894
GDP-mannose	151458.9302	140647.7852	128083.2454	123967.1931	276340.8043	130285.6319	156684.8477	168393.9129	124068.8826	112010.1965	124738.7158	307412.4053	129390.8047	129834.7579	332187.5622	124016.7736	113900.2919	148760.3536	128308.3726	272185.5749	75114.29847	180508.3671	138755.4017	110910.941	128253.7298	346877.3872	117732.3979	119179.4619
Glu-His-Val	368013.1424	212756.8136	491933.708	222187.9384	108028.0137	0	367141.819	524352.2667	622544.8047	410942.5478	734623.215	229715.1244	134609.9528	533129.2765	453614.335	203096.7752	407959.7443	342648.8198	523712.2663	182298.6775	37119.87529	208907.2296	363072.6973	330710.2462	513954.4888	176048.0902	91581.6935	185853.2069
Arg-Asp-Asp-Gly	174919.2411	186296.9593	211922.679	142749.1837	176824.2084	183068.3057	176236.1767	208766.3878	162465.009	181030.6104	198436.9894	152302.9018	193141.2505	200892.3185	148846.1981	190362.7229	147324.0167	192651.6585	182669.6692	151338.9533	139032.6199	135160.5596	162995.2648	174564.4605	212080.9507	178744.0946	159394.9841	151924.1397
FA (16:2)	2237004.487	3239480.872	1021829.264	2914089.941	3400288.333	1898449.318	2258676.943	2013820.527	3142976.539	3392426.555	2202230.231	1915353.428	3110824.854	1699730.571	3498072.97	2162318.878	3294557.355	840536.0692	1281414.674	2027238.631	3231931.1	2218599.943	1359653.732	3241247.931	1455435.915	2571778.649	3571460.122	2981242.635
Ala-Leu-Thr-Ala	2163752.134	2229050.774	1915736.929	2574634.068	2206379.492	1901217.115	2128213.151	1917924.907	2368229.737	2237868.971	2080039.398	2213285.318	1481180.879	2645060.869	2079316.16	1531727.419	2240306.803	2306606.983	1934899.724	1933769.292	1676028.972	2348979.407	2714777.771	2404127.685	1937768.494	2379090.808	1611148.75	2327539.079
Lauroyl diethanolamide	7228143.25	3069365.107	5751093.465	8696349.234	13524959.99	8539971.486	9766930.516	2187140.541	8684327.627	4017956.673	5421383.559	9905390.953	13603463.22	9137993.899	15408994.87	10724567.94	11884404.22	4079863.286	5632602.114	5517324.357	10593629.92	8868817.402	6062870.391	3645691.716	6687212.543	13087710.66	8690510.177	9112205.823
Hexadecasphinganine	83607.85111	51708.03231	67019.65401	54715.75352	72244.49917	113931.3701	50021.1978	62567.46891	71244.32416	63972.13638	64435.55069	88562.7521	97474.24001	71856.79844	70425.56115	108713.6046	63145.31314	82364.00707	79624.25348	63710.90847	113837.8702	90613.39331	72169.07353	69559.38002	65583.20311	62966.59141	121927.7045	80325.41239
Pro-Arg-His	155658.7707	163298.7308	104412.8386	115650.4435	134725.6892	143409.3826	138960.984	112771.2349	138645.9278	141909.553	125624.3068	122708.364	134519.1804	132581.4842	119523.9566	121748.8806	128670.5033	140068.3079	127143.4461	149644.7458	124904.9975	166031.2801	128597.4419	141557.5824	128748.3868	141839.1611	131902.4522	140202.8319
Asn-Val-Asn-Asn	6460413.623	2596349.893	6027588.343	6763827.182	6830787.875	7050225.777	8394717.138	5954715.061	6760768.692	5917410.185	5587843.913	5394249.301	7252486.142	5963819.224	5163731.876	5989393.362	5797137.648	4733771.174	5690227.767	5579189.014	5751841.632	6619603.709	7226283.952	7569885.176	5888828.86	6850128.234	6790810.208	7196048.328
Leu-Lys-Pro	6311138.064	6632608.212	6635877.075	6699409.78	7923713.935	7924478.046	5860512.664	6775352.752	6884160.905	6053356.74	6139183.553	7122021.703	9975873.027	7117692.658	6557019.093	8493281.991	7067203.877	5840963.481	6545187.047	7077488.935	8323566.366	7580221.537	7063481.573	5413552.915	6205195.64	8481421.436	7849493.063	6386792.878
Thr-Trp-Cys	79853.17583	366277.8114	410797.2537	83469.27609	374756.3625	424379.1689	345275.2708	401255.0697	75067.06252	389341.5714	383618.8742	391241.2969	339487.91	98897.30878	374219.7758	364498.8011	101544.7722	410273.2078	387753.2814	370829.6557	370846.1186	292432.8158	88025.34564	337556.2395	444386.4578	427089.6535	396410.8761	252327.1854
Leu-Phe-Cys	49825.94664	125703.1649	163459.1752	54628.61892	241971.4176	217740.5419	145220.7995	196553.6759	33974.93333	103114.438	194077.0294	235578.1226	144764.0879	35172.13214	180570.7777	274601.6174	0	283585.9419	128359.3107	186514.1752	156303.0742	149529.2701	32078.62702	132146.4309	275820.2482	217023.2378	264178.9817	103794.6569
Phe-Cys-Arg	0	146675.3732	121854.5157	0	116731.7823	517806.3127	124175.1705	106041.9285	0	188268.3584	195440.3438	148107.5857	332183.5588	0	101747.0787	467685.227	0	103737.7115	138913.8299	111881.163	437116.4859	53929.12602	0	96267.48847	123899.328	134599.1871	403893.125	86022.35951
Ovothiol disulfide	0	420309.2278	137267.7486	0	209441.9677	665694.2876	458353.5737	361587.0811	0	143925.6447	316701.7539	184596.3581	636961.6656	0	129630.1364	620579.9578	0	395198.9658	390631.8784	170902.1905	498217.0909	190148.5703	0	200410.7648	170611.4539	126219.1908	710233.4777	29270.88369
Linoleamide	294047.5461	77900.287	223828.9978	34850.57175	143415.6788	301909.1015	93412.28429	26307.79538	123683.8224	38881.23584	70222.4206	89360.2441	123255.5601	67903.43204	61764.46119	67860.76079	68525.21615	329532.9644	151981.9322	280521.559	317296.8564	410987.1498	100440.9521	50933.64744	246778.2209	0	154908.6177	57387.31263
[SP] Sphing-4-enine	139027.4886	121055.9206	102527.3077	148625.2485	667093.5058	1336086.906	129420.2796	116079.8985	220351.9758	130307.4898	155551.257	627816.4167	1504396.322	216146.1284	680238.6026	1470104.789	181714.2153	124896.5899	162094.3667	788740.1235	1516003.301	136855.2454	186727.7563	133382.4375	165198.4176	752979.7725	1680664.947	196959.2011
Dehydrophytosphingosine	361486.2781	134195.5421	167224.4479	258284.6723	334090.2488	258705.2368	159779.6051	0	281608.9339	0	226614.663	277647.5517	366144.9354	217052.1038	326398.5955	293581.471	364033.5645	122352.1464	114397.0445	118074.1779	371129.5219	369642.2217	260769.0056	0	126277.3348	340923.4156	253681.8398	272177.3871
Ala-Glu-Glu-His	285030.2075	220245.0021	371491.675	167381.15	130577.0422	60208.59617	330121.1668	528470.4306	322474.6186	410077.1719	822785.8467	229945.7009	114856.2127	302930.9752	427702.143	180798.0638	286175.2234	396491.7342	578659.2571	162713.2057	59599.38949	142981.5301	248322.5723	318190.1772	455844.6605	182722.0686	86159.8599	109235.6263
Asp-Met-Gln-Gln	0	901746.7314	776165.2238	0	316788.5249	591741.5967	876855.2457	494038.1038	0	592338.7769	597422.9423	309941.9544	456321.3719	0	174190.1424	503825.8063	0	955276.2165	979595.8247	219987.3036	434953.1627	522328.8723	178175.4961	647282.4021	508460.3618	207146.6088	450375.3962	285538.1025
Ala-Leu-Lys-Asp	90843.96315	133779.0979	211869.7821	69558.52436	177800.5948	79390.12469	151464.9253	150773.8501	103429.8583	107499.0101	210300.6031	190651.5182	81293.93011	135915.0528	159823.0579	84893.3001	88952.39035	144261.2568	150383.3467	160059.4983	95179.91049	167869.2573	118945.8337	113466.1507	160680.0418	172550.6691	83461.68426	151193.0064
CTAB	67801.92618	132592.983	113734.0685	78028.30052	142716.1527	158104.2043	128489.2429	98496.2256	84054.92278	119760.2438	125201.6717	150979.7037	134351.2391	94160.96767	134212.0687	136594.7821	69529.11338	119308.9509	138836.7371	158982.708	128527.6879	138909.8089	86848.5005	115081.6786	148587.0456	146023.1843	144410.5668	125354.9549
Camptothecin	269357.384	538122.7326	202752.6918	131750.8585	366237.7296	373467.7875	480889.3533	322219.729	100050.2153	341238.2193	426976.216	354920.1345	398688.2689	112179.6708	359766.0157	421075.1481	206028.7471	625800.7959	516658.8348	332497.7964	249263.2172	568047.4397	245696.232	424548.5663	336876.527	360259.0001	334793.2754	312471.7473
Phe-Trp	1412425.307	533497.035	2189829.204	1688965.815	408596.2564	181809.4293	675504.676	1849757.26	176556.2508	88423.39478	169657.4637	246180.8103	152075.5361	185547.8599	111889.0455	163724.0815	332385.027	238361.1052	401991.8396	147643.4925	158389.5937	227183.1343	153693.7854	153233.821	131926.4108	143824.458	142652.8958	110971.2732
Kievitone hydrate	3255028.154	2317158.145	3053589.25	3199993.373	4818520.761	3597538.387	2418168.698	3722754.612	4424474.626	2529405.046	3218424.922	3435160.009	3385484.822	3763333.088	3119869.354	3303864.742	4165394.365	2155085.176	3092515.77	3344026.214	3276080.431	2563987.261	3177407.018	2925824.99	2127602.395	3893622.803	3776557.915	3333642.083
deacetylcolchicine	224034.1626	239342.1111	223404.1288	196812.7362	212926.9716	197548.2096	245249.1136	186132.1782	269537.8364	222657.6842	183229.0822	234946.5426	200639.699	206478.7066	235982.7937	183765.6066	190617.5958	231750.5676	180264.2705	224560.3669	204362.5897	213924.5048	212636.3242	199193.0514	173222.2019	285541.6073	266463.5259	266736.4811
Glutathione disulfide	22678917.09	13566637.92	23004373.86	20806820.76	20014208.47	15387336.01	17435181.75	24125321.48	28318459.65	15165116.58	21069576.21	19953305.52	14359211.18	30459979.66	22359435.11	15547024.66	16769404.73	18743268.45	13761936.96	20003300.98	9231591.787	13002967.54	21781528.57	16198255.8	30289139.16	31512867.58	15698986.13	18224411.65
Asn-Leu-Pro-Pro	214091.7437	40409.56666	142645.2457	42176.95912	37966.11403	0	231398.3599	284826.2128	264161.6241	136862.576	235350.1135	224338.2876	126649.0101	186353.7725	229613.2028	148153.4507	202055.6513	144881.9428	223181.1408	81054.67356	43913.43656	134284.9606	145610.2679	85225.92383	136690.8756	94385.8766	33064.17992	64350.3651
Asn-Glu-Ile-Pro	151329.1666	193348.7802	167073.378	137317.5889	206735.4174	114806.0079	195335.9744	152634.7273	142923.8322	175287.5579	208014.6377	179483.7689	130387.8724	176532.0774	199876.0967	114500.2153	120736.4445	168845.8079	186224.2183	163163.4357	127301.156	143067.9475	139162.9208	168128.285	182676.8428	221681.0964	110324.3731	139303.1144
Asp-Leu-Lys-Asp	184494.6937	144210.0205	196702.2927	147016.2327	192564.0514	113481.9157	184687.1445	156226.3469	156921.7058	128313.977	170665.1559	220501.0397	128092.2762	152158.1155	237895.4351	113691.5766	124694.981	184956.8265	162467.5868	243831.4519	120876.2732	182171.5475	146306.95	161070.4163	178293.1332	258105.1914	156658.9298	156068.9105
Ala-Leu-Lys-Pro	178626.2725	192988.2151	246704.4559	206979.01	182348.6081	367565.566	196106.1796	173351.6348	197347.369	184111.011	172091.1879	223941.916	340372.3241	234683.5102	204982.5598	354809.5093	216934.7386	215084.5989	181362.1426	184480.2764	357518.5991	177165.2101	218208.7981	151339.0084	156053.0705	258269.8388	371870.0843	187650.3301
NAD+	9949460.401	9273398.075	9345526.881	11659549.71	10929260.6	7539329.948	7815735.111	9498158.064	9439486.551	8709058.009	10501344.33	8836463.872	7368188.887	9658042.332	8130703.676	7773512.331	8895075.555	9793779.912	9829954.97	8328776.563	8777579.076	7865676.752	10930081.12	8018537.569	10161940.63	10382429.69	8410171.139	9112205.823
NADP+	787995.6177	731388.5056	652694.777	728379.8812	609772.1809	684495.4483	828968.4294	857750.002	838469.5669	798837.55	962798.9497	752031.9789	759221.6108	933327.8586	902232.7132	673876.1571	706472.7838	1003526.096	727568.5055	778287.509	440374.5946	710710.2552	800525.0389	759329.9775	917828.4444	953453.0655	672700.1538	690212.7701
Cys-Leu-Cys-Tyr	322523.67	379192.8965	222445.3483	265227.4793	240589.5919	350365.8903	373471.8595	250435.1832	230192.3102	409027.3526	245507.9694	335493.0084	343997.954	312237.7758	276987.4404	318227.2839	242802.5251	430906.7391	338591.9433	302754.9878	350497.6709	448457.2101	326432.7457	436380.6103	275298.6087	298315.3317	325927.9695	446711.3425
FA oxo(21:0)	89436.24706	106376.7499	110278.5997	107984.9237	33352.3144	48354.33376	66231.87144	82379.09803	175229.3068	81617.10223	137984.8323	64206.54708	47661.53715	157530.9123	45410.24129	41204.67905	70685.37067	63928.98412	111660.8173	53340.41932	45418.51825	127445.6835	117658.2319	89617.39527	140182.25	36801.4634	36209.72628	165678.9185
Tetradecanoylcarnitine	712165.595	1012370.106	676467.8067	778100.5333	1023414.853	766676.7095	1012555.848	667521.9212	697578.7169	933880.9521	787087.7139	1000077.844	767703.0391	931074.0059	1117648.412	620772.7661	559235.8609	929817.7711	793087.8762	1040461.378	855079.216	712376.0377	762521.5301	985306.9225	722434.1583	1264440.011	778929.1131	733911.9432
Corydaline	6316973.13	4231230.01	8073650.441	7343583.798	11202492.12	7377745.224	4932888.752	8358379.096	8608811.735	5173432.662	6889416.983	9834129.148	6878526.938	6983493.417	7802852.721	8853166.822	6111638.355	5519743.542	5268199.364	7332170.82	6264558.187	5792526.802	6425454.601	6646134.332	6621651.636	9724388.37	8900764.456	6927009.098
Asp-Leu-Lys-Lys	809951.7358	892289.6368	813566.133	730446.5525	802366.8854	1125616.039	883596.0422	754197.6792	834884.4499	694189.7479	729681.6469	895291.6351	1349892.155	898491.2071	858447.5625	1118668.345	741129.5839	931764.4959	715789.0598	751673.8645	1001639.438	551819.7808	804021.8785	782942.5438	847151.7376	831977.8155	1105809.25	551022.1345
trans-Hexadec-2-enoylcarnitine	706875.0974	881116.5333	704178.0542	756750.6738	785248.5041	673723.2553	851438.9279	592105.9921	654021.9525	698327.6894	732001.3905	884183.7903	702716.5084	926242.2916	820352.593	567299.6385	652453.7008	751417.7378	717842.9503	777390.9197	737612.6019	679383.1784	796099.0936	699953.0456	707329.5809	935167.9251	671746.6507	527818.4324
O-Palmitoyl-R-carnitine	7608410.895	8333520.29	5640495.514	7150331.593	13729883.63	13156172.29	7506346.197	5524235.742	7123641.434	6275139.597	5706975.644	12399554.14	12847715.26	9509457.066	13573029.52	11660268.5	7171645.188	6112830.791	5864024.179	12599944.03	15209425.81	6394535.254	8492437.13	6010902.089	5795972.98	15061834.62	13316104.3	6139891.346
LysoPE(18:0)	915279.3939	1015941.76	840886.3154	795434.2093	1148759.298	1239461.36	1105081.674	985548.1936	548953.0572	685278.4444	601977.4823	1336139.255	1183573.002	891425.699	1099363.263	1022961.293	795195.5119	1146925.292	976301.8243	1148992.367	1579211.897	850798.9172	656032.8558	834158.3514	711948.6746	1217987.595	1177218.173	583516.9033
Bis(2-ethylhexyl)phthalate	2291545.637	4300990.006	4937848.481	2025070.372	1094847.731	899085.3129	3763538.556	3749451.719	2004177.437	4424467.646	3342869.865	1084672.199	1000845.521	2057484.89	1304513.785	934719.9622	2064964.449	4901149.828	4123295.38	1176946.98	888954.0503	5551651.727	2443382.677	4047915.257	3187021.256	957408.8077	786543.2966	3652388.17
LysoPC(16:1)	351445.7134	357097.523	405742.8582	387999.3773	460037.8099	531842.8329	302312.6825	447136.5159	361866.5164	330011.8386	170810.2705	447232.5882	336273.4306	242230.2952	443884.9891	358938.1081	258855.9492	378020.1957	369048.3692	508706.5899	766980.0835	419815.7249	242905.1788	228435.0003	183889.8425	378068.3857	371880.378	162601.4627
LysoPC(O-16:1)	1130628.057	1190784.918	859803.7494	1016911.06	1306455.379	1222709.648	987307.0212	946276.3969	1002723.713	1144467.988	892009.6885	1166704.514	1035870.471	978898.217	1366011.411	1158541.785	1127652.971	1121173.878	1087404.1	1403038.026	1159173.052	1314040.824	1005884.553	1019528.144	976372.8595	1267912.55	1249175.685	997437.0484
PE(19:0)	7302246.978	6932310.699	7907753.515	6763827.182	7718790.299	7094605.163	6655768.837	6307849.613	4232893.45	6056386.277	5058677.827	6481028.89	6648004.162	3737169.451	6819299.857	6592368.879	4513498.044	7072988.911	7021396.407	7545729.194	7793884.87	5834220.016	3977493.871	5486738.559	4931467.188	7112112.03	7218730.228	4916594.404
LysoPC(16:0)	16533662.14	20607551.28	14488331.61	15073672.01	19194513.93	20849840.3	17193026.45	16020226.6	9363970.659	13683467.26	9765581.354	22091159.68	18364675.35	10772431.83	20392329.38	20153550.49	12613508.78	21613859.12	16289639.67	18864322.98	26484074.8	17188854.36	10772813.77	11707650.23	12128767.85	21569132.1	18572461.27	9202425.682
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	1135047.337	892723.4687	762774.2313	872522.7555	1267742.23	1359758.976	799098.2702	1139505.104	729025.092	867613.696	852356.4953	1316413.096	947497.4618	952946.4072	1048838.726	1375292.321	772926.6538	1012569.934	1109830.704	1103654.725	967523.2199	1041224.649	853876.711	738024.7103	904271.1864	1075141.265	1073257.945	662660.5835
LysoPE(20:4)	913951.5799	312553.9789	770879.6786	838119.7564	859090.7726	462487.5414	435826.3704	657959.6905	1443464.761	328699.2989	367714.5214	792546.275	481517.4892	1673236.889	1153421.378	460388.787	563022.921	407343.3849	417912.8559	845737.6077	550583.0589	412928.3548	708735.4561	423561.3348	789788.1564	1085658.045	651708.4543	545511.8438
Linoelaidylcarnitine	1346860.101	1716595.712	1483073.872	1661087.735	1542318.813	1640642.966	2206284.625	1682795.155	1431739.975	1907368.134	1851930.133	1781768.541	1716796.735	1307626.589	1807738.362	1446653.614	1426995.959	2693851.352	1976086.533	1587427.974	1502644.545	1565063.001	1677362.882	2050025.995	1854806.574	1558753.469	1704989.79	1603351.934
O-9Z,12Z-Hexadecadienoyl-R-carnitine	2415192.556	3517389.586	2424169.95	2358231.698	2990137.091	2277560.579	3190093.814	2151980.101	2243329.849	2702422.902	2215862.582	2628347.744	2771777.616	2739472.505	2450698.017	2103159.57	2953800.499	2760217.719	2663148.252	2666478.817	2296928.432	2199643.887	2688795.828	2513697.258	2186963.863	3394675.038	2521902.828	2092628.442
Elaidiccarnitine	5313910.964	7273749.489	5695794.49	7279166.396	9426487.268	8770781.526	7756292.442	5837011.987	5333793.958	8310620.718	7156967.157	8765202.067	11336219.35	6106607.808	8196273.866	9428982.55	6028193.797	7418592.408	6657165.682	8755893.31	9988279.639	5792411.468	6473787.577	6130385.876	6818334.357	9797504.072	10512713.92	5850682.563
Oleoylcarnitine	8559462.257	12622125.16	7631258.636	8889601.439	14412962.42	13156172.29	10331959.55	7978452.774	9288454.766	9151363.451	7959617.679	13112172.2	15795132.29	10029505.5	11868204.56	12523992.09	11082389.22	8611771.992	8566103.617	13169433.03	13544712.54	7745367.241	10536912.74	8500074.827	7015017.079	14403793.3	13246019.54	6771286.011
Stearoylcarnitine	4535183.524	6034677.536	5916990.392	4596918.549	11544031.51	14541032.53	5511009.109	5647023.497	5175456.011	5093017.888	6044029.334	10332961.79	16097431.48	5714781.402	10491230.55	14827255	5964818.936	4760184.408	6603234.336	10677918.67	15209425.81	4061216.853	6418552.923	4717669.832	5475582.727	14476909	15698986.13	4128904.207
LysoPC(17:0)	951985.3126	1018030.421	1259060.072	880463.5692	1026307.094	694188.1717	962867.5983	1038143.294	508715.2635	953890.8441	675833.2869	912496.1947	1015320.551	712850.6322	977867.4366	1023228.148	721868.4644	973357.9826	1333594.708	1248328.866	869120.1266	617580.7305	657547.4879	783435.8589	687402.4251	1135170.536	1268552.369	714783.1903
LysoPE(20:0)	2301540.821	2854864.111	1559051.209	1850166.497	2725567.698	2617737.071	2518743.665	1722781.608	1226135.97	1621241.931	1233993.157	2629746.791	2287742.022	1172341.933	2313242.897	2373159.745	1803388.529	2055904.58	1784403.991	2459149.229	2943479.988	1869137.62	1399140.616	1556246.023	1239578.267	2504265.438	2155292.079	1469015.24
Lacto-N-tetraose	188853.4582	77100.85891	83167.66338	191013.8012	93284.44116	114955.6257	79712.70125	95430.43788	191651.276	87817.4233	87587.12186	105129.4016	108662.5512	236666.636	101169.2414	109675.2956	169818.3619	72380.25501	73755.88004	97965.77721	84399.9166	86917.79661	208008.7323	86571.60195	97552.74516	131258.325	102697.7387	62822.90059
[PC(18:3)]	656799.1797	594175.6477	463539.2047	443624.2063	575975.4917	803306.3114	521751.4966	452405.2629	370432.7796	407091.349	334423.086	587633.7107	611672.2134	384798.7407	617781.7663	598111.7181	426196.6542	532527.4955	478928.5713	642378.3817	585520.9449	400286.6704	359397.9735	471231.9696	401300.4852	592356.1366	546235.841	348877.4906
PC(18:2)	1869520.07	2374207.789	3232813.506	1427658.074	2435833.512	1577625.381	1842592.586	2028564.518	1354651.653	1305292.96	1075332.56	2157513.869	1604336.527	1258662.822	2462680.313	1511021.625	1397514.07	2133918.791	1889758.113	2232928.98	2274796.069	2359245.295	1190533.432	1855640.309	1341257.088	2081234.62	1533047.871	1550122.33
PC(18:1)	1370658.972	1552410.414	2018678.737	1753139.397	1812187.36	1164385.201	1361427.478	1668751.653	1225543.831	1267184.503	988674.1451	1463453.815	1528407.946	603193.8697	1538776.652	1355830.739	1123822.073	1629600.654	1923239.467	1832925.604	1740148.809	1383019.897	865081.9117	1604743.661	1180072.893	1550145.557	1589033.154	1220937.353
LysoPC(18:1)	3833860.326	4062001.658	4894768.92	3746651.361	5439503.247	4134832.616	3760576.997	3569877.326	2576382.687	2886404.528	2384607.313	5005633.734	3750271.513	3100195.371	5642271.653	3695856.697	3405279.537	3998332.178	3659886.026	4957761.554	4036830.94	3561633.266	2556477.76	3309060.686	2775532.155	5101131.912	3664500.794	3200383.516
PC(18:0)	11046827.36	13137313.94	13714145.96	11595132.31	12636957.57	13310045.65	11219862.33	10384652.82	8004684.595	10371545.24	10100019.07	10831794.42	11940817.71	7145374.836	12851757.42	12164107.26	8530523.278	13255374.54	10181024.79	11247407.67	12636687.12	10776432.01	8256536.099	10264241.3	8195113.41	11771628.03	10863137.72	10555723.58
LysoPC(18:0)	20776814.37	24557331.94	15151919.32	20420316.35	27049919.99	24388927.58	24861277.68	19439563.5	12309090.46	18215571.06	12641745.73	26153082.59	24561808.59	14635648.77	24326540.84	21593089.81	22237688.89	24737737.19	18325844.62	24060910.07	22851973.11	20127881.27	17849844.71	17000149.65	13636668.71	26687231.24	22357038.28	18134191.79
LysoPC(O-18:0)	456190.761	586826.6944	288869.994	513982.6639	546382.2986	519406.1628	486623.7926	422204.8799	363313.1177	460887.2304	381122.2131	613520.8086	473735.2691	442558.8486	538961.2741	460005.5996	411429.4617	452652.3077	420501.4253	568134.0569	552640.5877	644655.18	530151.2983	399484.3466	374431.9044	714856.4229	483920.7217	520974.1283
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol	271319.6819	239520.0391	142626.9538	286455.5496	266555.9355	242596.8117	260140.025	144328.9047	236571.4916	227401.2635	178237.223	246273.4061	236952.4673	258771.3178	244872.8616	252420.8806	262175.585	202715.572	192663.146	248261.2309	268528.1825	266738.9575	389115.1636	251076.2978	163794.2054	296491.5976	246943.4968	217198.4196
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	352744.0128	226062.7178	273845.3141	321706.0804	554122.7767	460949.3848	229873.7149	235065.4023	362860.2111	277378.6161	335307.5274	500795.4108	371796.4894	412314.5033	455644.9618	379634.05	304734.6482	224943.9169	292661.8297	485985.5362	427412.9101	242286.1423	380346.6732	333377.27	232718.6638	567514.8483	452944.2655	238540.6041
Cholesta-5,7-dien-3beta-ol	201675.0137	150864.1666	128742.7116	220129.5005	198656.7513	217148.6343	157887.5146	111830.4918	205311.0272	142371.2338	135245.2439	162967.309	219408.1799	203145.3587	179124.6886	203475.5316	236682.6493	142545.5644	125463.5661	206360.6109	202069.2816	139404.8234	240946.2419	166957.8959	124680.732	210874.4814	176690.4463	169686.6538
N-stearoyl tyrosine	708238.393	914714.0331	535493.0221	677566.3074	1246783.495	953232.7713	966345.352	533636.835	596830.7938	606813.6736	463349.286	1186153.018	981467.2933	675842.3141	933958.1944	731093.2565	568352.9943	683274.1369	474131.9482	1198465.655	874564.212	881398.4734	621414.8709	748797.8535	398070.0944	1240897.486	714193.5729	623376.8831
LysoPC(20:4)	338348.113	509812.4113	778594.2314	467081.6823	620291.8077	394385.0195	481825.2331	489511.4004	431438.2461	338499.81	262213.5096	738544.7915	490129.0955	472005.5232	696254.5316	353539.6333	441416.1194	510791.9001	434605.9187	707813.0233	673772.9761	586515.8841	295520.6186	438687.4585	311977.0886	648487.4266	411609.9827	420599.9954
LysoPC(20:3)	905135.0594	402956.5963	590659.4185	1317050.094	728160.9629	410037.1138	373515.6997	615913.996	1857568.618	318974.9947	565930.4056	535460.0479	414373.4871	2389448.335	783522.3085	447726.8691	562968.3749	450392.5618	368945.769	589648.8617	445552.184	400197.9986	791280.4219	402691.7215	1165428.717	810115.0325	419476.2085	450592.8828
LysoPC(20:0)	359475.4217	508419.255	381160.0442	488471.4806	551371.1219	401110.0307	412019.9313	510210.38	303775.5149	472163.3989	268602.0853	448040.2517	511097.417	339190.3771	431019.175	498945.3632	409033.7609	398463.1546	464432.5473	504775.2917	562506.2839	390760.466	334706.5812	372664.8313	321958.245	464254.502	478889.4244	464090.6479
(24R,24'R)-Fucosterol epoxide	830894.7098	1376428.581	1254519.059	806394.8302	1599952.049	2003740.819	1229599.242	1119542.35	836294.6148	1117114.236	1158771.927	1300017.803	1764868.162	1109692.627	1047191.111	1295847.655	780432.7851	1160519.65	1141236.62	1981030.294	1857315.302	1449921.946	1006940.112	1190090.565	1045527.16	1536147.19	1535389.052	1341280.045
Nebrosteroid M	195374.8013	171222.9649	162885.4138	197550.7382	288121.4159	253338.1099	170147.7618	102822.3101	242597.707	217299.9558	192514.7245	190727.1893	235786.9386	248080.6776	321864.2733	235929.8331	198019.169	233559.3036	130361.6154	307803.5967	223328.1431	273665.1251	222043.0253	225380.737	122193.382	178965.4524	188490.5515	219583.8468
Ethanolamine phosphate	239962.7869	246890.4854	271230.2428	150928.845	23123.80191	20594.42554	220656.2247	240322.8505	355065.2483	370844.4325	441212.1009	37129.14598	22844.39202	291547.4632	40960.55848	25666.19322	339671.1282	286474.8168	328828.8451	44077.32209	27756.0789	429856.6488	429667.3373	367707.0724	441519.4384	51836.9021	41631.65849	561666.048
Decanoyl-CoA	0	509932.4074	154135.6816	0	356389.1424	387926.7622	566531.9145	299979.4357	0	388325.3888	303272.9299	393990.8	382669.0101	0	342304.1206	310635.3334	0	519200.0924	381060.1353	329297.5796	287335.5644	592094.9698	277959.3594	364858.0188	233510.2913	294415.203	403827.9024	311312.986
CHAPS	256390.8961	132787.2119	243343.3151	212339.1418	212847.8839	229987.5631	279072.5085	158201.3207	275109.1158	236833.2552	198084.7846	213255.4289	236982.6736	271935.3921	202245.1887	223353.3428	315465.9963	239790.2267	225931.0707	228898.6496	194449.1985	247856.6281	289873.7376	222775.6846	163293.9961	238706.796	225238.3125	224391.3812
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	533547.8157	603452.8024	326892.5327	429560.8809	519951.4615	1699325.841	531943.4097	404729.2585	529703.2539	648385.7576	509759.0826	496236.5258	1200601.987	565652.8734	476596.1541	1503509.119	645792.237	591029.5528	777176.9531	619807.6197	1703773.878	646815.9771	727361.8084	615712.2421	429258.3604	464303.9922	1181641.485	564300.5243
PE(32:1)	746873.5747	1205047.705	762176.1037	619105.6634	470339.6626	1066520.879	1198608.913	688352.7274	604257.4514	1228368.015	888377.6949	541368.5869	885049.5358	621005.6678	548319.4928	919871.6539	659591.2243	1056895.548	964033.9527	633550.19	973938.5141	955627.2718	797374.5806	1233063.756	648073.2563	567014.5084	872631.2977	1041889.388
PC(29:0)	102937.1013	166869.9014	99785.06605	94790.07582	87020.25648	103547.7794	138844.2828	89657.85316	156645.6363	154132.3972	128437.6701	81609.56515	99918.12228	117247.3106	68283.12171	78236.22918	95162.46999	155633.9275	200836.7754	87094.00983	97813.45019	101704.8105	151551.6689	131964.5513	86839.4373	88280.2928	90535.2897	145988.0253
PE(32:0)	830792.4718	1197001.1	621182.5867	709647.5424	658913.2531	897001.483	1220535.167	751042.9452	791715.8844	1260223.257	881566.2855	756832.5305	1003536.456	752637.8663	621496.3586	995328.6163	816514.0733	1034324.474	827323.854	803442.2828	1044133.798	934703.5154	985384.6556	1165647.637	713272.923	696418.1966	913874.8645	855350.7501
SM(d32:1)	4316622.045	6561392.379	4391420.778	5119152.035	4248718.295	5022550.342	7655472.697	4725981.094	3883266.195	5447520.355	4879378.409	4218117.741	4729739.381	4429222.046	3600549.343	5185845.033	3264216.398	5553338.318	5654691.778	3864853.087	4357036.646	5962495.627	3863839.113	6071391.348	4534273.643	4138709.195	5272608.567	4694194.331
EPC(d35:1)	3422206.523	5463689.086	2461383.119	2808420.924	3681488.987	4688211.228	4772240.906	4446177.706	2550318.754	5302723.997	3507717.895	3294949.556	4768831.577	2655536.502	2946427.347	4158182.024	3369785.269	5398775.585	4340615.674	3775988.6	4533545.438	4395280.011	3699747.142	4384239.161	2905459.778	3621635.316	3764383.491	5164219.049
PC(30:0)	1919182.326	2291206.154	2004083.54	1563710.686	1063919.632	1632971.417	2047128.255	2018539.37	1918134.251	2452886.356	1582761.782	883289.7219	1875717.494	1877215.486	909523.1349	1987448.319	1879856.104	2167324.868	2001296.155	1245578.234	1909322.647	2457853.878	2144280.024	2304613.259	1894987.707	959929.8371	1563597.993	1968189.769
SM(d33:1)	3647261.489	4090507.912	3131728.085	3620450.908	3952025.756	4019517.612	4628463.214	3181256.706	3207834.308	3585484.154	3511376.978	4191377.105	3612082.621	4006834.994	3221058.585	3592271.766	2922474.157	3145405.184	3836393.049	3618617.079	3298316.46	3680092.304	3574901.239	2112122.048	2964068.934	4305649.525	3781117.279	3330064.865
EPC(d36:1)	1894237.895	2824153.064	1014087.269	1904666.518	2608065.851	2635508.675	2373480.754	2168524.942	1391746.381	2574517.564	1383344.681	1287201.635	2824580.97	1838803.223	2067563.359	2789559.269	1810185.789	2286713.578	2351161.104	2173834.53	3032992.378	2159568.252	2291850.077	2360357.913	1836232.35	2839152.718	2574621.81	2254078.686
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	637003.6858	709678.021	621645.5773	518824.2356	249723.572	262936.2733	706768.5903	650847.8655	601251.9189	1008302.019	895462.1727	303968.5672	216037.5441	634315.5645	259839.7904	256155.3155	700874.6734	893341.2177	1134292.722	294752.266	234015.957	1111960.793	1067393.388	957303.7869	688506.9624	276706.0545	235289.5402	1229198.673
PE(34:3)	566139.5228	845870.0538	521147.8803	404885.2316	498872.7601	980744.2702	758517.027	523383.2963	398079.2422	780436.2825	573150.4979	560606.7802	930712.5831	426529.7022	455263.2204	893428.5762	537939.4004	740071.1477	725879.5528	633723.6172	1051267.945	609095.2366	664393.2867	851456.0037	397008.9092	531671.9318	824642.7735	586822.2206
SM(d34:2)	4664620.883	4664850.241	3411322.747	4655168.306	5434007.537	4907890.838	5087321.681	3845988.464	3818366.327	4097456.747	3104528.144	5532643.29	4226849.198	5038746.67	4123069.998	4488222.325	3728520.75	3610597.698	4337809.222	4743091.609	4686153.108	4983556.973	4232966.825	4563416.729	3317224.89	5241644.572	4517172.303	3990385.597
EPC(d37:2)	3755427.852	4820575.066	2012798.797	4027870.038	5291119.067	4882150.133	4054821.519	3603953.868	3224445.161	4066290.689	2941407.819	4219017.421	4860625.102	3678640.971	3874787.487	5039130.424	3650078.214	4364141.678	4133482.373	4738476.613	5874439.82	3927780.578	4061697.172	3844080.255	3049265.006	5587163.424	4854019.982	4044887.414
N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine	6742401.815	7143473.272	8516042.246	6192104.061	8196945.45	13156172.29	7621600.82	9054910.687	8080200.488	11330259.51	8762268.202	8765202.067	8539951.91	7424784.23	11146932.46	11300383.67	6522925.869	10469213.01	9549099.114	10108429.67	12863693.47	10420186.32	6589164.412	11547271.46	11604280.59	10016851.18	8480255.899	13262319.37
SM(d34:1)	48137830.47	54266551.7	40478850.16	49536981.93	62774940.57	51393702.28	53193448.02	40208869.14	49160845.96	43229297.83	39196100.5	66059693.62	46478499.33	55422304.46	48259660.53	50095968.36	41923511.84	39597265.33	49360416.74	57233644.07	48957703.99	50141580.32	50325553.37	48113631.09	38943178.93	63171966.55	49690094.48	43034873.04
EPC(d37:1)	21874181.32	27219140.65	10506805.37	22417255.8	32787781.8	28697381.66	24054093.34	21212553.01	16386948.65	25623817.66	16654998.34	25796773.56	30607792.24	18350280.43	25703514.85	28718809.45	20560748.41	24146733.23	22889752.29	31820197.64	34050953.31	23423153.86	23590103.14	23816247.39	16586909.54	35314884.08	28103988.56	25622440.14
2-Aminoacrylate	183669.0852	178099.2459	162958.2184	148318.4807	213108.2009	265018.1799	197157.5246	139220.3302	188610.192	198016.5078	191563.4164	218443.1547	219322.6387	204145.8251	199001.6158	184418.6401	210532.2892	176688.6678	203983.1071	266307.4251	245569.9657	233997.7524	180769.5597	170631.8728	185226.9572	201289.5156	221240.3274	200079.61
Guanidinoacetate	557976.713	925307.4951	724700.9557	594568.5919	465162.1389	62739.75885	799449.1431	556240.789	307832.0871	483196.348	353193.2775	438169.4672	57316.23205	377441.1466	239625.5456	41283.22954	521632.4758	700549.0243	430960.4974	314952.2408	45662.20129	435063.0403	275508.5443	470361.8146	369352.4092	287898.0349	26282.11059	370293.7117
L-Alanine	4593346.534	4854231.919	4714470.481	3923335.089	3673328.928	5127293.862	4207029.445	4539494.892	4488278.759	4910653.44	4072656.442	3685162.1	4503262.501	4555744.258	3885559.358	5083285.054	3988512.143	4846316.481	4344414.249	3731647.119	5178192.789	4681024.676	3917674.481	4322667.345	4304834.07	4490125.925	4690826.217	4715572.378
L-Serine	6462308.41	6364540.892	6304083.221	5578174.013	8196945.45	8847718.206	5561618.356	5261733.565	7474722.369	6579823.784	6822529.439	8622678.456	7708629.157	7875019.132	7671712.339	7341650.535	7291045.537	6294189.221	7091610.371	8827079.434	8928916.647	8057343.166	7084181.102	6172020.606	6621651.636	8554537.138	7428984.506	8189017.576
Glycerone phosphate	272977.3461	559986.2175	117039.3487	194730.9872	773084.3224	1471589.037	595240.4345	159009.1193	396505.5854	815721.7066	488758.6932	928331.4586	1350204.94	404182.246	995082.0706	1143964.2	179608.3449	683493.4943	257911.9076	1008687.808	1126808.566	548176.2223	330800.9939	787717.521	457162.3938	1234567.585	1267254.312	841193.055
Trp-Trp-Tyr-Tyr	2361602.641	1378580.997	1516037.868	2328576.825	2971071.337	1923734.942	1462422.585	2116011.526	2936502.685	1274753.335	2129060.275	2083559.437	1879821.961	2126046.961	2004800.555	2000258.06	2059821.163	1518416.556	1239436.466	2050145.08	1867481.025	1377561.323	2057074.097	1862614.581	1351758.798	2497543.18	1842457.191	1841071.904
PS(34:1)	666799.8506	707841.051	598069.2738	584113.4061	600654.6587	558143.8293	697856.468	676260.7016	846474.5347	863106.7584	718980.2252	589028.9723	449321.4454	712675.023	523445.9736	495756.9185	769785.4891	719990.9967	788050.6386	569152.7303	486674.1015	845678.3308	801649.8449	832558.0223	774321.273	687896.3787	406739.7051	737363.2476
Cer(d40:2)	182876.0432	379749.1663	252156.6066	149538.4155	287747.2381	602092.1767	350100.7702	291152.56	210225.2947	414029.1991	479493.6815	236685.108	559440.9606	166408.2784	236854.7952	585748.6395	263185.5998	421689.9796	537305.0315	276721.8661	586790.9982	457311.5019	250633.5914	423297.2611	359049.1439	222218.314	537762.5059	493033.207
PS(34:0)	654163.7158	776513.9983	568517.5361	501108.8864	301043.3454	381453.1898	809184.8965	581849.7228	529867.4537	1055870.043	933003.7262	362621.576	359834.6761	532241.3403	347031.8748	366922.2206	761920.0914	934563.955	1167586.253	371684.1562	425236.5813	1283956.21	970992.0388	1198561.671	634372.174	338849.7629	312560.769	1275837.83
PC(32:1)	9729987.01	4739057.603	4971271.182	6570574.977	4285956.677	4614680.15	4668172.244	4241479.735	8004684.595	5262546.461	3827523.963	3521874.581	5412340.76	8395067.566	3405099.029	5451636.535	7947239.635	4716735.907	4838419.689	4070830.138	5047393.24	7062702.093	8806971.839	4918726.271	4034145.868	3339475.242	4929543.318	6900669.861
1-octadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine	1643012.191	1561922.516	1274202.591	1362112.079	1417661.886	1741289.415	1477959.269	1196618.083	1710820.849	1486084.899	1764422.999	1423387.666	1441926.574	1518096.969	1382503.544	1754029.358	1535220.411	1620480.196	2274345.096	1401165.653	1785327.236	2015506.727	1929852.277	1445658.646	1772490.102	1501982.599	1612840.421	1974596.732
1-tetradecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine	2084782.498	1959608.544	1783022.705	1891022.751	1880077.024	2644184.055	1834071.746	2141030.783	2239634.101	2316995.364	2291167.588	2027749.863	2217585.75	2743819.552	1866710.717	2383687.096	2010046.471	2288672.545	2895640.203	1976075.027	2846944.212	2507891.034	2200304.75	2098209.992	2441305.272	2122799.251	2056719.967	2298078.686
PC(32:0)	13607350.25	11505882.8	7907753.515	9791445.064	13320036.36	11001945.25	10493396.42	8864947.526	12611154.03	12899064.67	8360942.94	10689270.81	12394266.49	12629747.67	10884651.69	14035508.38	13925896.98	11229075.24	12849155.43	13738922.02	11425986.56	13448274.65	14311329.24	11547271.46	9703014.278	10309313.99	11774239.6	11548142.03
1,2-dihexadecanoyl-sn-glycero-3-phosphocholine	3958928.336	3868058.841	3520407.165	3939321.233	3448942.669	5280712.526	2062621.553	2818913.69	2261081.37	2751645.472	3177854.282	2462405.01	2541115.215	4390965.055	3372990.946	4762865.914	4707943.302	4090771.952	5165500.558	3672866.6	4803130.24	4695548.812	2412583.635	2641369.785	3102906.94	2675665.46	2945968.362	3308104.675
PE(35:0)	3958928.336	3050627.476	3520407.165	3939321.233	3448942.669	5280712.526	7610577.911	5805998.601	4162897.769	4126769.435	4546497.499	6792618.996	8086503.136	8395067.566	7606142.148	10292706.14	4707943.302	4090771.952	5165500.558	7972845.941	11047642.63	6774728.666	4254799.465	3642883.885	5037351.332	8627652.84	9111018.734	7545891.622
EPC(d38:1)	611327.6309	978828.633	369131.9986	500319.572	740687.2617	1069712.116	884824.6776	744790.5452	546961.0424	983939.1281	606887.2371	686117.3476	949431.6097	511986.1503	770683.7471	967415.6789	581824.4769	1006860.625	985657.835	769111.4395	1098760.134	898830.4102	626828.8487	797770.764	576749.2175	995642.7448	1129859.536	835560.8547
SM(d35:1)	1435933.742	1781190.833	1496098.717	1469570.934	1954528.172	2166165.499	1999842.185	1354696.006	1600204.981	1618623.769	1281530.72	1906420.048	1773610.843	1446189.873	1539576.117	1689998.649	1200182.378	1429451.358	1608847.666	1726245.9	1852893.218	1726972.769	1557427.849	1822194.319	1717020.002	2012574.589	1817138.897	1537740.782
PE(P-36:4)	1398603.605	1812463.329	1178073.202	1230767.01	1612375.886	2047922.861	1519736.709	1021972.205	1536992.893	1813387.444	1260450.441	1618291.465	2198110.692	1361942.398	1406384.699	1967702.519	1544490.611	1581438.369	1375710.712	1957782.863	2672106.187	1981035.726	1562855.735	1461193.034	1127925.829	1638180.518	1868041.808	1685520.799
PE(36:4)	2905478.554	3525438.552	2718672.11	2465405.667	3422941.275	3078615.29	3600643.51	2508950.325	3011782.024	3348155.309	2637521.656	3233534.707	3253642.702	2389074.643	3401107.444	3155044.087	2727404.603	3438655.65	2998806.107	4195069.857	2524681.071	3955520.094	3005612.879	2953121.456	2352327.976	3482404.741	2817369.311	3518330.03
PE(P-36:2)	734301.544	511302.0046	479439.3883	617388.4162	1002886.713	834400.126	631571.9026	506921.4054	708005.2906	559685.4047	641022.0408	922466.9683	832286.7088	852330.9652	813566.6519	978291.8484	718003.071	659138.1156	639623.1897	1051242.606	942367.7944	661434.4632	907297.8757	532254.8889	517036.9168	851230.6422	832481.053	633276.7647
PI(32:0)	71637.64663	99249.7839	67582.91726	76330.36848	61819.3347	77967.42122	91009.71907	75292.735	68740.04017	114298.2961	102397.8269	57343.6622	58392.41714	64047.23227	59712.50354	68897.73519	57794.79647	121694.7072	100383.7635	70368.93557	85095.12946	79136.27756	108349.9212	97343.26035	90906.46721	83857.27261	59510.18482	116342.3363
SM(d36:2)	1864870.16	2757062.819	2371538.597	2024637.165	2935897.22	3832586.868	2531334.127	2278133.053	2102740.402	2659339.155	2082601.024	3246983.591	3159468.949	2158094.202	2568579.45	3410763.132	1784349.969	2315291.786	2653643.212	2736527.565	3480082.719	2507036.044	2115158.828	2293510.237	1995043.813	3199029.117	3228562.026	2516144.823
SM(d36:1)	5454802.639	7754339.909	6304083.221	5718330.175	8675100.602	10386451.81	7502039.868	5911405.994	7702621.026	7738631.741	6126161.886	8978987.483	7497921.337	6655392.632	7475001.766	8997120.754	5443965.599	6324270.056	8215033.797	8328776.563	9080254.217	7880086.89	6409461.69	6939140.331	6752773.45	8335190.032	8480255.899	7078192.772
EPC(d39:1)	2099970.606	3586268.18	1384728.515	1981712.79	3868410.423	3971145.213	2899073.186	2612698.706	1859270.179	3418337.769	2184251.361	3129544.492	3968901.462	2061312.075	3277349.938	4226602.248	2193420.094	3050375.546	2958566.835	3747476.422	4461837.157	3037934.74	2429135.041	2844082.537	2507503.268	4066131.625	3650164.957	3275135.181
PS(36:4)	537968.6499	591169.2528	547847.0207	465795.2668	413479.3305	399781.5265	733809.1648	514479.6042	427691.7611	571422.1373	569706.7927	484276.7906	417708.1778	495646.5535	372805.2219	353436.6612	584950.6038	547700.6779	582893.2469	476469.8645	410613.1156	668764.4408	672889.8521	644087.7071	442396.7253	520058.5535	369524.6978	625439.0272
PS(18:0/18:1(9Z))	211455.8453	377328.1815	284257.3681	299261.5881	395878.1405	326936.3872	335526.956	309764.4777	376406.2047	413482.1056	493818.4432	274876.0465	238951.1608	332013.9409	74340.2757	335454.3184	217713.445	349463.6231	575744.8949	371277.7947	323944.5956	382644.7996	423250.436	356121.1597	595815.9683	374505.3205	220357.0185	446145.2129
PE(37:2)	26629438.13	36063214.74	24331549.28	13334402.16	15369272.72	14079412.45	32610247.34	35396469.05	13064249.39	24142168.34	19731825.34	23231348.57	32497162.13	11366772.9	10950221.89	17058540.95	17717240.65	17814547.94	15587500.02	27477844.05	29662163.78	35179261.51	9042872.87	25500224.48	20848368.52	31147289.07	28174073.32	39967397.82
1-(9Z-hexadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	6196829.738	7329679.241	7133567.856	6634992.379	5540082.158	8539971.486	6776342.402	7851810.666	5617155.262	11591727.04	7959617.679	5547380.944	4356434.277	7169259.175	5613176.193	8205374.127	5536113.478	9624921.638	10461880.65	5521027.103	8172228.795	11310800.53	6219714.696	8901021.752	8129552.503	6248179.089	6263899.67	11367702.31
PC(34:2)	74620953.01	86723444.96	86819391.73	54625956.67	64209406.03	65165368.01	77166822.92	60788211.61	65245731.04	81752180.16	63676941.43	57009444.34	66203521	70578001.66	52980714.27	66362762.68	62484260.25	81980692.19	78639639.76	69335285.23	61291715.96	89952035.75	71478012.51	89010217.52	58480329.3	56591553.37	58170350.38	82460951.7
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine	1296191.285	2160970.508	611853.9951	1289989.229	1088198.301	3200361.816	1828738.881	1094075.652	1240362.598	2042531.593	1644023.748	1236917.88	2373236.387	1246108.481	842955.5394	2530564.192	1679135.99	2101844.795	2304894.841	1174930.455	4022125.468	3122107.358	1824614.272	2099622.127	1154125.607	801599.1553	2026974.419	2650980.884
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine	13387876.86	13738367.52	15483713.18	12110471.53	13798191.51	14694905.89	10170522.69	14247237.1	13441828.85	23793544.97	18929174.82	16960309.69	11562943.74	16567257.23	14294301.62	13315738.72	13852986.52	18405551.9	19027984.26	15447389.01	14982419.46	25115320.87	15962636.46	16679392.11	18553736.76	16889727.17	14157121.42	25171340.84
PE(15:0/22:1(13Z))	9510513.619	8396958.061	8847836.1	9791445.064	10041258.18	9924831.727	7735375.067	8611663.311	9741550.121	10807324.46	10501344.33	10546747.2	7557479.566	10549553.93	9376537.303	7557581.433	6939593.81	10215925.6	10391666.68	11460966.04	8550572.721	13002967.54	11165982.15	8099127.901	8719600.669	12064090.84	7779408.304	12721000.21
1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine	12802614.49	10303775.64	10838599.22	13334402.16	11817263.02	12848425.57	9605493.648	12284284.43	12007026.89	17431168.48	13243733.62	14893717.33	10051447.82	14041307.7	12130485.32	12380038.16	10790747.39	14099665.91	16078997.77	11460966.04	6871036.69	12290476.17	12424120.99	11226513.92	13046620.55	14623140.41	10162290.13	18134191.79
PC(34:1)	95836714.16	78136965.26	76865576.12	66349923.79	92898715.1	62934204.29	71677969.41	59965037.91	89108753.04	80444842.53	64680254.59	77675367.91	65145473.86	89894086.32	74750017.66	68162186.83	83847023.67	73453349.34	76533220.84	98948713.01	60081015.4	91733264.18	96719422.87	85000748.27	59988230.16	78964958.19	61043825.52	87513263.84
PE(37:1)	16241030.95	21036875.26	16810888.59	21966333.99	25478838.77	26927838.02	13399260.05	18299784.54	15707305.62	23793544.97	16053010.45	33778095.77	23579336.25	16567257.23	21834873.58	17634356.68	29747465.79	25666457.7	27594087.88	24772771.32	26711081.15	31527743.22	28622658.48	25500224.48	23536365.71	32317140.3	19974156.46	38163000.62
SM(d37:1)	222891.5064	409496.2202	390155.6668	293925.7739	368816.3521	506479.358	406907.705	384143.109	371569.7185	404567.4519	421780.1826	316428.4712	328497.8468	284799.3473	295956.4868	380987.7118	190518.5629	401779.2937	496199.2317	299380.1871	394327.9398	488235.3808	303721.939	456549.644	396122.5257	347416.4327	368469.4404	322769.7522
PE(38:6)	1462613.019	3304987.555	2423808.571	1369497.534	1945639.097	3208672.708	3671964.3	2377066.659	683617.3859	2915020.188	2445167.462	1686453.382	2582370.551	1605444.49	1446204.984	2477554.236	1377887.851	3035524.672	2918085.677	2045477.228	3176637.27	3392152.498	1761568.541	2972912.197	2526433.652	1699907.17	2412318.824	2344056.305
PE(P-38:5)	2413333.068	3546719.283	2556062.984	2368667.317	2411456.308	3471893.479	3139642.371	2082013.344	2454803.233	3271190.164	2529782.712	2536624.715	3293492.158	2400238.597	2083448.721	2774038.516	2453435.547	3011781.088	2755592.308	2541785.642	3643935.528	3316208.71	2779661.76	3370937.623	2093284.047	2231799.774	2799836.031	3140995.617
PE(O-38:5)	3138426.697	3945497.726	2883092.001	3092826.007	3536683.798	4234043.234	3571917.433	2271290.264	3293991.144	3533257.759	2583142.752	3417800.633	3764238.491	2695745.532	2775251.446	3811116.292	2920339.886	3587215.049	3183081.252	4086035.494	4449757.013	4863299.117	3922474.674	3928763.453	2472112.67	3262020.488	3379900.603	3910479.221
PI(34:1)	121507.8423	327878.3498	184791.7747	157064.9246	153035.7976	390421.9149	290901.8707	234046.8436	165428.1228	376176.7086	298010.5733	158841.8628	278095.1262	130539.8298	159483.7731	335636.645	138899.6579	379448.2618	373399.4408	163539.7434	388831.7612	273466.6016	225975.3235	313395.5787	366035.8468	181898.0318	243370.5758	351636.3011
PI(34:0)	115972.712	192524.7196	137546.4382	104763.1578	149918.6742	181227.2711	129531.0152	130471.1119	146934.7173	202803.6242	210917.8497	142542.8626	106146.064	142979.1097	122774.4247	161816.3883	124710.7137	238057.4505	244781.9622	144407.9274	199869.7556	191836.2285	161575.2389	209230.4194	223445.4218	150260.719	119032.6345	223300.3834
PE(38:1)	2751999.348	2683923.185	2277037.901	1667675.219	1899383.221	1636811.519	2214325.19	2086505.498	2223647.387	2811914.608	2546615.632	1644850.028	1401179.478	2152489.566	1516160.51	1384324.08	2349087.379	2526866.982	2655117.179	1895218.09	1370452.691	3031887.915	2516535.39	2470181.686	2167821.226	1723481.683	1470477.95	2822083.074
SM(d38:2)	618551.4147	1071176.544	950351.8128	743583.0322	965230.1161	1126192.102	982536.7636	902070.228	714105.8891	1201443.287	871563.5042	819413.4009	848039.2358	685144.9127	952805.854	1001275.083	612639.3973	1008738.118	1165522.665	954660.7425	1013727.526	1061043.599	837972.7549	1012484.208	905636.0825	1110826.389	905109.7141	1022075.754
SM(d16:1/22:1)	430559.8354	811581.1278	307120.5914	329689.8323	963831.9392	438221.6644	632900.3766	535338.1925	351732.9444	699648.9175	482842.7826	615765.2437	639995.5213	332414.2389	558205.6744	585622.23	427328.1789	703093.2964	364469.7386	645704.3309	777336.3495	600206.7954	482987.1136	669802.4883	465013.8451	804641.0427	1010087.047	653093.726
SM(d38:1)	1275426.999	2684302.493	2043252.081	1493804.278	1710661.36	2113291.919	2438548.489	2058730.984	2159942.746	2876828.062	2474463.537	1469236.888	1607087.071	1645692.71	1626403.508	1973893.977	1297986.377	2454563.135	3210626.19	1772916.235	1929310.746	2335660.494	2039110.43	2666686.977	2558270.52	1602161.347	1601568.689	2292088.313
PS(38:6)	696138.5048	795446.8104	654026.5838	643621.0745	399858.4406	547555.6111	832783.7379	632193.8389	528559.9905	806705.5982	601405.3012	356065.0668	459952.5992	630770.5986	303467.4907	500979.2073	731861.6625	734196.9377	787621.1047	392205.7811	543621.2469	898509.5664	806238.5131	856110.9975	516485.7134	357805.26	433916.1219	912851.3631
PS(38:5)	3195410.768	4105086.896	3733497.897	2638389.098	2683092.663	3522786.708	4382170.285	3142501.055	2534902.751	4111845.305	3580893.202	3260974.778	3087160.496	2614245.399	2855552.964	2903862.65	3193430.918	3918542	3895922.203	3215195.701	3192868.981	3287089.856	3561282.28	4628119.539	3139793.473	3050257.857	2838516.511	3369644.092
PS(38:4)	20411025.38	24471467.14	18635754.79	18681046.5	24864067.87	30774672.02	26072054.19	17413289.78	18425877.75	25013726.77	19598050.25	28362198.56	27206926.44	19390377.3	22687286.06	25479845.97	21508584.33	23386871	23521677.96	28118519.17	27165093.87	26094996.51	24297806.23	27504959.11	20127198.54	25663611.41	24389496.3	26253979.15
PE(39:3)	9364198.025	9273398.075	6746475.026	6156595.901	3326430.439	6278441.242	8717590.874	8674984.365	3416115.446	6797014.401	5625251.775	8123845.818	3000099.654	3408986.572	3106137.973	3366480.024	6906303.626	6428027.556	5042771.464	10535546.42	7100692.966	7556196.328	3855540.901	6933940.851	6016234.027	8481421.436	5444800.513	11457922.17
PC(36:3)	27214700.51	24900791.13	23170270.79	23061429.82	24590836.35	21465333.74	22439724.66	20136095.1	25222308.06	26669687.77	19263612.53	22803777.73	22143415.13	23699350.03	22883996.64	20945297.11	24935375.74	24315591.51	22398254.54	26908355.05	20581909.56	30726190.43	26263648.16	25179466.94	18488175.85	25590495.71	18922885.06	23276723.78
1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	3900338.451	4289523.192	4443578.771	4560589.389	4233090.819	4713292.585	3815409.836	5136350.597	4171504.316	6774285.028	5471392.699	5467537.792	3590960.6	4990959.791	4294882.258	4395115.441	3641996.09	5691970.539	6692718.522	4337616.512	4314579.647	6728812.16	4390620.27	5142295.881	5188187.311	4847319.892	3329798.76	6961698.183
1-(9Z-tetradecenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine	4950726.396	5748221.84	6967670.929	4983431.011	5949917.477	5452760.638	4764508.888	6458747.483	4727090.972	6825678.65	7357629.788	6424361.502	4478787.604	5836729.416	5479525.784	5193721.832	4949778.533	7498379.631	8074605.868	5654002.427	5695629.94	10153002.05	6535689.187	7084271.09	7080577.987	6949794.441	4758912.16	10194844.14
PC(36:2)	33067324.28	31254786.1	30912127.38	24929534.47	30465313.92	22850193.98	28735762.51	25201779.4	29602229.82	33467843.48	25216603.91	26865700.64	23579336.25	29568468.06	27801760.95	22960652.16	29237092.6	30647776.79	30823930.23	33742223	20581909.56	42749482.34	30195332.02	31354049.6	25372071.12	28003313.88	20464749.77	32388929.61
PE(39:2)	8925251.242	14167691.5	9400825.856	11015375.7	12432033.93	11309691.97	5655884.169	7155279.075	5489505.841	10371545.24	9765581.354	11473150.67	8539951.91	6106525.343	7999563.294	7557581.433	11957314.68	12748799.71	12849155.43	15376202.89	10669298.7	15229503.08	15884002.78	12028407.77	10751988.79	9212578.456	6378308.834	11457922.17
SM(d18:2/21:0)	109034.7122	193185.087	196159.6542	106701.7592	155410.8305	180342.5473	192402.0863	213063.2357	103453.5278	230528.102	165322.9	133258.0396	109096.7048	121028.1323	113365.1842	143787.6878	111895.448	214886.7841	268025.527	119125.4746	134416.422	192246.8017	171731.3066	250824.9542	178342.3449	132047.1749	136283.341	202601.7344
SM(d39:1)	386224.6558	836703.6647	625130.9335	381284.6281	439501.7292	440319.8719	741810.0769	650105.4261	488424.4264	927073.645	771800.9839	281782.9634	364547.1425	427637.2661	295590.3797	460947.6432	353649.0423	689013.1547	930336.8671	344426.8557	137627.6515	725011.6826	578680.711	899399.7335	859842.0346	280781.7751	325068.1171	717985.0931
PE(P-40:6)	1275726.488	2610528.962	1632571.335	1013676.501	1283216.783	2579339.706	2463624.276	1720762.3	961354.1244	2592798.284	1722588.519	1224639.649	2440512.314	918559.969	921053.0792	2265748.338	1189855.25	2478920.941	2337680.725	1188634.14	2782001.477	2459349.219	1341112.304	2365286.553	1628245.78	1020297.36	2304602.228	1767590.422
PE(P-40:5)	1432505.568	2308303.123	1350014.721	1114613.578	1519180.885	1772559.559	2145846.092	1329322.31	1389481.093	2052749.308	1364331.562	1479357.312	1691282.117	1252589.585	1164751.251	1698039.016	1535768.88	1998683.155	1875220.137	1507350.703	1928192.55	2538881.069	1680393.031	1959259.429	1320618.678	1267220.053	1684267.479	1878270.68
SM(d40:3)	242981.3919	419721.5906	398563.9106	252261.2829	223586.5655	519721.3628	393683.7805	366708.8441	232299.2272	429137.4738	411016.3465	203680.7818	307935.0786	286047.1616	195459.6985	377257.3256	224981.3187	473155.7126	492482.8504	275901.3571	382328.4548	401272.2464	357000.1133	595829.9857	434594.8134	223403.8851	293780.0027	340811.2431
SM(d40:2)	2781395.249	4220849.815	4357256.517	3261837.622	2895408.749	4214342.828	4257194.337	4189502.331	3160353.313	5334236.499	4691546.816	2504765.877	3082214.692	3219343.853	2971070.592	3794708.782	2820323.51	4733194.523	5100486.289	2961373.744	4040752.853	4716844.289	3707351.412	5482519.395	4565148.897	3160260.613	3194332.63	5265227.399
SM(d18:1/22:1(13Z))	1307682.546	2258460.755	1083772.481	1184849.803	1556690.449	2180181.631	2160575.189	1639992.497	1060002.706	2488203.865	1780921.648	1394172.642	2221978.724	1306857.382	1235973.92	2164433.921	1267453.301	2115223.437	2390761.077	1733087.064	2720103.465	2104760.521	1572053.221	2447004.949	2102648.767	1608595.712	1873230.533	2293231.624
SM(d40:1)	7608410.895	12536260.36	7741856.588	7730088.208	7377250.905	8386098.126	10170522.69	7978452.774	9968097.798	11853194.56	11905982.75	5940731.501	7633054.362	8246482.299	7016010.43	9069097.72	7801418.724	10638071.28	14534290.56	7759287.567	9080254.217	12023291.91	10772813.77	11306703.31	12784376.92	6238594.351	7569154.025	11909021.47
SM(d18:1/22:0)	1756070.067	3687598.944	1296324.393	1582179.155	2104954.758	2642773.229	2812372.507	2245584.449	2006163.316	3165957.11	2365275.14	2524088.872	2348455.223	1651089.141	1470483.495	2905130.884	1657093.336	3232113.274	3626819.111	2082969.714	2502340.051	3520583.298	2303359.688	2936873.483	2951501.564	1872141.442	2494755.847	3388742.058
PS(40:6)	6758362.651	14682880.29	11115094.1	6441740.173	7582174.542	16387512.85	16547278.97	10764579.14	5841172.402	14467869.84	12507970.64	8693940.261	15492833.11	6635305.389	6138510.793	14971208.93	7193820.903	14690669.87	16921565.34	7972845.941	15058088.24	12824844.7	8728338.162	16037877.03	12325450.57	7604033.011	13666528.1	11818801.61
PC(38:6)	6840991.457	16486041.02	15760208.05	7279166.396	6789004.629	13002298.93	16305123.67	12474247.59	7541671.739	16123830.84	11839095.2	6926142.953	13830187.61	6772392.385	6688159.475	13387715.68	6601470.115	15619390.38	14674718.49	7972845.941	12636687.12	18168529.99	7663051.566	15075604.41	11604280.59	6938549.246	12264832.91	11818801.61
PC(38:5)	9437355.822	12879719.55	12497568.49	9276105.85	9153255.753	10694198.53	12592075.71	10827900.19	10798772.61	12550441.3	10100019.07	8907725.678	10731620.98	9137993.899	8392984.439	10652590.97	9915821.93	12073366.62	11936373.89	10749104.79	9988279.639	17456038.62	10694180.09	11787839.62	10161940.63	9870619.774	9321273.013	11277482.45
PC(38:4)	12290509.91	13223178.74	11778681.81	12046054.12	14891117.57	14925715.93	12269201.97	9688121.225	12913217.6	12637597.15	10100019.07	15392549.97	16853179.43	12183991.87	14359871.81	16698656.12	13561344.7	12242224.89	11725732	17511786.62	16874139.09	17990407.15	14389962.92	11386892.69	8850722.483	15354297.43	14787884.25	12811220.07
SM(d41:2)	1151595.539	1775443.151	1690599.592	1332228.605	1168891.423	1400653.707	1617089.8	1759912.441	1467982.034	1972915.428	1945757.805	943001.6811	1129591.342	1380542.023	1053068.331	1205130.406	1191992.073	1874872.469	1913407.581	1144214.354	1323166.132	1794041.475	1441178.081	2039842.745	2152689.604	1176964.476	1128705.065	1861183.715
SM(d41:1)	1598416.478	3400145.714	1655907.226	1556646.03	1114212.417	1445477.69	2340257.248	1652026.663	1792234.533	2693534.096	2800549.509	907228.7002	1182292.954	1659813.882	1109769.17	1325040.972	1599939.559	2524042.405	3151039.109	1197557.32	1555055.867	2861111.526	2089080.559	2636129.609	2875077.542	985974.6555	1084904.017	2292590.386
SM(d42:3)	4802893.875	5795316.105	5972289.368	5524594.195	5033017.064	6097087.638	5797474.392	5768270.651	5259592.42	6940899.981	6755641.896	4605267.452	4984649.766	5475308.385	5483238.04	5739818.631	4815964.151	6183881.709	6754653.558	5348789.427	6185444.58	6754649.769	6733078.589	7343714.223	6441692.846	5633107.503	4594822.011	7473787.91
SM(d18:2/24:1)	3197252.516	3929536.748	1606009.855	2610014.038	3750364.846	3427286.746	3329095.599	2953217.645	2776068.228	3820621.03	2419828.119	3203559.498	3451358.837	2682040.584	2642109.37	3749654.801	2729894.495	3642102.009	3509066.782	3274574.895	4607144.681	3919859.01	3284778.356	3339146.942	3010274.295	3361125.167	4185377.034	3550447.398
SM(d42:2)	8413146.663	8164833.744	5248951.67	8245427.422	11134184.24	12155995.45	8071843.402	8295058.042	8759843.52	9238519.293	6755641.896	14608670.11	9900298.231	8989408.632	10819081.5	10004798.28	9186717.376	8949488.54	8144819.833	11176221.54	11274648.99	10063940.63	10301011.7	8339696.056	8850722.483	12210322.24	8550340.658	11638361.89
SM(d18:1/24:1(15Z))	10607880.58	11763477.19	5248951.67	10757706.09	15915735.75	12848425.57	9201901.478	8105094.881	10421193.15	10458701.09	6755641.896	14608670.11	12167542.1	10326676.03	11409213.22	13747600.51	10717836.94	10300354.73	10812950.47	13810108.15	16722801.52	12557660.44	13053190.4	9943483.759	10620866.98	13380173.47	13386189.06	11097042.73
SM(d18:2/24:0)	10534722.78	8082007.702	7631258.636	9662610.26	13866499.39	12386805.49	7258496.209	5528740.402	11176352.08	8515002.04	9832468.898	15321288.17	12998864.85	12926918.2	12655046.85	12883876.92	11155299.67	9624921.638	10251238.75	14094852.65	12258343.19	12913906.12	10222378.03	7589276.573	11276476.05	13380173.47	11634070.08	9833964.7
SM(d42:1)	16387346.54	28077788.62	11446887.95	18294542.09	13046804.84	14079412.45	18000210.79	11207826.52	17519687.04	16385298.37	20133150.6	11829459.7	12847715.26	15452867.73	13114038.19	12595969.06	16696494.28	17814547.94	38968750.06	14949086.14	13090699.83	20929434.06	22253330.63	19085073.67	18029249.5	12210322.24	10722968.2	18855950.66
SM(d18:0/24:1(15Z))	4199925.848	7767107.146	2017405.478	4264019.079	4139056.144	5003190.765	4579979.283	2985846.035	4231084.089	5942627.857	3732673.413	4566737.619	3999356.971	3746453.058	3490208.809	4899006.027	4411025.315	4688672.506	6315878.071	4883716.595	6961479.805	6059760.05	5658532.877	4813394.307	4598280.101	3762236.446	4165356.272	7282032.816
PC(40:7)	711776.5327	1200459.198	1435860.022	686428.2094	687239.5912	798633.5137	1248821.53	974975.1607	729242.2474	1246731.969	1014303.947	698993.3315	880226.0689	591240.9279	581835.45	711255.7299	719370.0965	1402046.399	1291669.512	671434.2887	731688.2563	1576939.453	753146.2334	1296520.523	909063.8526	716246.9008	756135.0087	958849.6761
PC(40:6)	2516314.372	5157224.746	4161323.122	2451730.014	2985020.831	4446447.328	4403964.262	3233904.046	2621928.02	4772100.49	3936547.314	2824550.557	4365230.805	2756826.335	2667585.849	4493406.826	2797529.697	4035221.801	4178041.559	3343170.201	5474755.783	5043707.276	3320658.116	4508243.625	3242186.17	2909291.514	4387318.56	3304954.197
SM(d43:2)	624948.1496	892774.7729	623327.8413	736897.8748	706431.5866	768960.7672	799650.4347	793482.3776	829926.0764	862486.6991	987148.3566	570460.1055	653591.6632	720741.485	579842.567	702842.7472	637355.4037	883501.8461	861360.5119	754859.3546	700045.935	1008718.678	872313.851	839517.0071	1173856.408	579103.3672	588204.5223	911568.7182
SM(d43:1)	417952.6894	869287.6383	382403.891	501710.6658	379191.3369	424178.0756	687984.5026	425093.8634	596395.8222	700093.7392	776268.0685	294500.6792	436722.8436	445219.1285	313199.8283	399299.2368	454213.3169	761011.6317	1230791.108	433742.9293	503395.1532	720570.8018	621325.7691	681025.7445	690621.7934	330727.1796	316580.5899	730602.9607
SM(d44:2)	1397711.262	1672906.308	939735.5846	1778659.155	595907.0477	1681881.796	1539506.47	1105978.902	2117135.052	1571910.199	1663036.031	1611914.425	1502620.031	1620662.036	1583030.138	1873207.199	1513879.886	1631157.527	1724044.733	1755472.965	1887395.914	1846244.382	1958989.003	1480749.922	2032490.729	1587676.578	1400898.501	1586464.017
Phosphocreatine	167931.8942	363476.5261	228323.664	94286.12039	209657.543	216121.0248	305615.3277	211077.9228	175863.0386	295488.5107	256079.0649	216724.9657	239775.4457	143918.2963	240147.8942	270702.8276	138179.257	357294.9796	219521.8961	243094.2306	235421.7412	219488.3527	178865.7278	356379.144	239830.5472	265170.316	187138.1566	284413.7375
4-Hydroxy-2-butynal	193152.519	237744.4087	248258.5818	236757.4637	369177.7861	347268.083	277238.8379	229078.2384	173612.5706	232275.0863	226588.138	232544.129	366452.3831	247846.6093	234892.054	318823.5231	187672.0703	318470.0562	239552.2506	264282.0464	336793.983	151187.9696	192569.5136	248149.2098	236634.1046	237931.6552	309842.3345	165711.2003
3-Butynoate	289742.6213	114737.2509	151801.4772	233641.755	155385.9194	200431.3757	92907.2644	162217.8147	76683.73391	80189.37377	95150.10169	140661.1836	211585.3856	95382.50684	99492.34524	149941.3472	261008.1291	127683.7013	84335.4843	128169.0488	127034.6009	128085.8265	106869.5071	121945.3763	80351.84238	121817.6028	120572.8456	204894.3479
Maleamate	575335.3207	359529.214	257210.4491	736893.0435	857697.548	455187.2122	318544.6299	316843.7913	564344.6592	378586.1864	273334.6089	1087180.526	484649.8756	630146.4941	913954.3684	466558.2926	804017.5858	401193.5665	347963.401	804733.7771	455911.7136	760687.0162	846906.1304	473860.0264	260004.0685	771191.9799	484545.5712	816865.6082
1,4-Lactone	320158.4098	64969.77306	113219.9608	265807.0547	80896.60454	102763.5061	51795.58447	104027.3098	76638.81962	41154.01168	86350.16215	131232.367	131217.7899	101331.0542	83239.37494	102816.4306	286742.7401	71812.57459	92819.76674	102660.5021	114081.1572	141562.2111	61683.72728	93096.38039	80358.02969	90066.8178	98239.63618	133182.444
Creatinine	10681038.37	7805296.373	13880042.88	12432558.53	1896025.547	1463381.143	6746467.702	9118231.741	1038247.332	1117306.85	874673.6914	1869851.874	1130332.636	1272629.187	809194.7595	1120857.165	2563258.561	1969362.182	2954998.562	1039516.205	1314900.736	1495506.476	1087728.45	968869.2012	741624.7373	850696.2578	938141.5373	789780.7605
L-Asparagine	13461034.66	13566637.92	12884661.32	11788384.52	19262821.81	18926423.29	11946328.23	10701258.09	13366312.96	12201817.93	13912609.05	15321288.17	19347147.69	13075503.47	15408994.87	18785988.13	13561344.7	12411083.16	12498085.61	15732133.51	17176814.23	13982643.18	14625863.95	13712384.86	12915498.73	19083198.23	17591274.63	12991659.79
Creatine	523809827	619085186.3	479442118.7	612609490.5	516407563.4	660116714.9	540813507.9	438814902.5	555041809.2	597017520.4	465537302.9	511659762.9	763305436.2	656746878.6	478662393.8	687380025.6	490687364.6	542035060.6	549775338.7	523218014.9	693882759.7	535259143.4	576384853.4	545287819.1	507441422.4	603204541.8	658796739.3	548536746.6
4-Aminobutanal	289301.4569	215068.039	276876.3028	253601.1649	353287.7512	230584.8321	242412.4912	290640.1541	359662.2075	235913.407	223220.0157	314780.1856	207628.1948	300882.7737	283998.0208	196380.5596	388198.9147	243014.2852	197132.0454	254771.4245	245053.739	256617.5445	293751.754	268955.674	187803.1935	356062.0218	287886.4219	309541.5754
N,N-Dimethylglycine	1509323.175	2883077.566	1642858.603	992056.0083	684817.3515	701631.6994	2528094.694	1482428.344	832309.2636	1339991.771	1025282.785	668384.7381	623528.8124	935540.7576	588980.7566	618280.2038	975167.5888	2265866.547	1486392.231	655802.1717	579396.2662	1246237.028	791856.7572	1296742.848	1050215.585	689969.2546	599563.1155	904595.3997
L-Threonine	10900511.76	11076558.81	10617403.32	9533775.457	10724336.96	9617085.007	10412677.99	10004726.49	9061907.089	8802740.081	8294055.397	10332961.79	11185069.76	9583749.699	8851975.776	8853166.822	10061642.84	10384783.87	8846959.473	8613521.061	8853247.861	10331124.9	9750575.965	9382158.063	8326235.225	9285694.158	9811866.329	10916603.02
methiin	431810.1021	261240.3981	312672.885	315375.6616	544707.2187	376703.1191	252662.8999	422505.1008	509168.7836	254384.7532	340787.4985	428258.9989	256839.9748	352284.9645	305444.8008	340975.2666	342526.2789	273725.3575	236776.3634	395536.135	340268.1261	278646.9149	357711.4777	283300.8783	274112.0792	459237.2111	402028.2134	368675.4494
D-Erythrose 4-phosphate	239214.6341	195781.4103	140982.1462	224017.916	572426.7694	382483.5162	260500.5337	201267.0775	424668.4823	304132.1914	294783.4374	488763.8348	474874.0396	602599.6215	731605.4706	432520.7453	268065.7473	375817.4659	231382.8559	589950.7799	246342.6859	275003.8017	385570.4312	338762.6637	441356.8064	680806.3034	437133.2752	320332.2653
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole	760945.1111	628413.4305	525738.5248	799882.553	790278.5255	581050.6679	488365.2929	733844.3929	823506.848	539684.5007	512956.7671	797873.3622	583324.7688	683678.1439	628262.0139	645606.5739	833821.9218	454056.7864	494347.5578	706582.8826	574393.992	549257.3167	681229.101	656162.6748	533629.2761	854903.4267	677228.5054	641687.7367
L-Glutamine	216547079.3	179457425.7	186357547.9	237700212.4	250006836.2	217730804.6	188073951.3	176665740	228813154	251008826.1	202000381.4	252266791.2	212365175.8	239222279.3	253756638.9	200095965.6	196129124.9	202629929.2	186769144.4	221388847.1	239113361	208403726.4	220960632.7	190048842.8	197338330.9	252980329	205348345.3	206603478.6
Glycyl-Cysteine	611342.994	1077422.779	479378.3866	479005.1018	770930.575	837356.8026	925695.0441	585301.8679	246859.0217	752315.5045	803978.9089	856603.3338	726885.0919	235328.7417	614292.4896	633031.883	592543.1796	1163916.55	894873.9003	670765.1391	650907.0516	945218.8861	641936.5897	684244.7469	600984.8312	673907.974	638488.8917	654152.0614
Arsenobetaine	0	419973.5232	440628.0096	0	174715.0425	363782.8059	396176.7946	387784.4257	0	380592.1054	407046.5708	152965.3137	350526.0341	0	142345.6513	341373.2092	0	389695.8219	420792.1989	152238.301	367500.6598	226026.9917	0	385395.7733	561911.6368	144517.3092	365134.2819	215360.8948
Betaine aldehyde	48392.15098	78338.27797	64142.60381	65319.97508	45725.9451	94660.96172	87457.54044	89758.93927	79827.21863	95901.97885	78139.87297	66085.75429	91570.98056	67159.42033	45163.32854	73434.90446	44770.08696	94897.61801	73594.42633	71407.56891	96585.937	107757.4943	63706.06259	77848.5693	91253.60199	38845.91552	98263.79348	69494.38431
L-Valine	21581550.14	18804390.54	18856950.69	17972455.08	22404984.23	21388397.06	20179608.5	18236463.48	21899608.8	21527493.07	24012628.13	21877374.26	19649446.87	22807838.43	21507022.63	19721688.69	20925300.69	19418701.55	19589695.98	22494815.33	24743692.74	21641925.43	22410597.98	18443558.59	19668272.18	25736727.11	20324580.25	17051553.47
Betaine	112663007.5	86723444.96	84607432.71	124325585.3	128418812.1	162336394.9	74180240.86	70919580.21	139704401	81054933.42	86953806.58	128271249.8	163997306.6	130012108.3	129173276.1	176343566.8	131238819.7	72440199.69	72320383	138101081.5	198252217.1	87102070.26	118736852.5	66396810.91	70150170.79	157929916.4	167502575.2	84536008.47
L-Methionine	36139951.75	35118701.97	30137941.72	34849814.34	40165032.71	41776617.27	32125936.74	28367832.08	33680088.01	33990778.53	37858349.63	32210336.05	33252910.09	33208807.1	36653736.73	34548943.69	33903361.75	36979962.08	35598479.79	40504904.82	36472354.44	33130848.81	35778323.1	31995564.68	31206991.87	37727702.25	40228651.95	29321454.38
1-deoxyxylonojirimycin	102111.207	68642.0226	55214.37684	89988.53353	85336.08304	83239.98208	59065.90959	55909.31947	81530.11378	65591.32852	53838.63033	86991.1565	84691.31245	116734.9932	75368.68264	81395.07329	72228.56033	72951.05534	63714.04898	78127.5669	84366.56914	66362.23962	103846.1527	72973.58093	61540.61513	76296.57206	100968.7038	58568.20954
L-Methionine S-oxide	2369144.478	1810578.382	2406089.673	2894387.235	1913664.008	1332944.139	1432062.768	1405494.53	3047906.562	1586876.818	1222114.849	1990354.34	1337161.297	3296095.573	1681436.241	1394512.51	2790404.705	1404260.342	1034228.871	1832640.326	1542743.799	1141001.607	1847958.644	1366012.845	1629132.491	2696164.178	1636833.062	1729394.604
4-amino-4-deoxy-L-arabinose	102484.4831	138748.9255	68297.95895	101902.1394	82418.81365	100370.1382	118974.9737	81308.52702	73311.731	94899.51644	60621.18401	82284.28639	81940.90349	87073.09638	75859.44995	105563.6452	91851.17334	127840.8846	79001.05519	61271.68254	113970.2078	91590.09794	79264.14104	74943.48955	55336.87843	67878.05872	95805.17631	87166.14998
L-Ornithine	7462095.301	9359262.872	9566722.783	6570574.977	13866499.39	11078881.93	9201901.478	7788489.612	9741550.121	9848610.19	9899356.442	12185768.73	13905762.4	9732334.966	13441889.14	11948176.36	8093060.546	8865059.403	9057601.366	13454177.52	9155923.002	8522372.925	9357407.579	8740642.982	9440770.649	14476909	10793052.96	9833964.7
Ribitol	194240.9927	121457.2177	280486.3064	192859.8227	328921.9253	712122.785	117196.2673	234381.06	117777.1345	85377.6317	79908.51547	332166.6187	665917.7234	150903.9049	352370.4358	786925.4292	160364.2568	116482.0127	92329.62938	358088.2071	557462.6283	166672.8145	131805.4747	95051.58556	76054.61174	465691.1341	1137637.017	159789.1969
Choline	40090472.79	13394908.33	16479094.74	38457188.84	30123774.53	26389281.26	13318541.61	14943768.69	45536083.12	13160532.2	14982809.75	28219674.95	24637383.38	46952944.26	25703514.85	26271592.6	39007093.62	12917657.99	15025788.31	30752405.77	27089425.08	14249827.45	40732244.76	17481285.96	16849153.17	36411619.61	25090343.9	14344957.68
Choline phosphate	47552568.1	30911326.92	39649365.52	55592217.7	9631410.904	6847812.296	23731219.6	34003405.87	72721804.39	66325596.06	93642560.93	7411227.764	5727862.887	92122865.32	18490793.84	10364683.11	71962619.45	54119076.93	69792680.29	13382991.4	9458598.143	100639406.3	95933086.1	85802642.12	96374533.71	27418388.26	16189579.44	123601207.7
sn-glycero-3-Phosphoethanolamine	478470.0079	313740.5767	357020.8663	430409.0971	365955.1485	433544.6356	311049.6206	349194.4781	491043.0815	335890.6091	386191.9544	393567.2822	449091.084	560717.753	364481.8648	407309.0585	436795.3281	318983.3854	401096.1727	370225.1966	484189.2805	360722.3307	526381.5015	310018.8789	392635.341	389734.6586	464713.7306	365423.7283
Hypoxanthine	253857555.8	272191406.5	244974462	247362822.7	240443733.2	316979121.8	288971993.8	214025161.7	263550464.5	244907917.1	205344758.6	295736492.5	297008946.9	332088071	266214975.2	243282145.2	308411226.2	265107490.7	229599662.5	256270048.1	267867499.4	278762249.4	269713512.6	249388987.8	213072948.7	266872312.4	277535647.6	263441990.1
Furfural	131528.6773	113559.4408	97065.21187	193749.1654	117326.6051	142428.8967	119288.7161	187797.5219	114026.7675	84522.98014	83399.8728	90460.87157	121767.9293	119670.5389	67865.85964	74026.09965	117984.4735	122214.3686	65887.045	74682.58111	98657.68327	85946.0391	90430.41194	87606.139	81487.7363	83840.14182	94208.09799	148123.8254
2-Furoate	59865.75692	63215.99129	79277.66562	65520.82152	74230.79092	70703.38444	79875.41827	77524.57957	65625.1689	84009.80927	69272.76898	75607.98497	57123.22701	72332.88652	72844.83478	51424.84871	49567.54651	94596.78644	74510.33463	85600.20794	64558.92858	82629.37784	54735.66786	71033.16695	62089.4009	66047.85845	52486.60232	64942.88402
Adenine	1006773.736	1931955.142	1811253.523	956036.2129	930272.6199	683553.5991	1442684.405	1391350.665	922578.2239	1018656.786	895722.9505	963687.558	654380.1445	942036.534	1046381.237	693518.5361	944191.5818	1298905.338	1321405.301	999702.9619	551868.4351	982378.0944	863731.7715	1082476.51	1193936.566	1073324.431	569337.1794	815960.6466
2-Hydroxyadenine	664027.9931	387727.428	505833.7622	582692.5595	398270.5813	300198.15	380798.3186	478543.9168	1347495.484	795994.3085	1272494.965	369269.0108	308160.7874	1176614.038	511659.322	396349.0359	822001.1319	512345.449	785574.6309	405019.4615	319156.5587	610932.5181	1194967.978	788079.2252	1207096.034	577717.5048	346510.8997	890123.7958
2-Furanmethanol	124916.367	149568.0241	129846.8421	93591.97251	162566.0381	178845.7202	145233.4875	128277.1561	122951.4127	220313.1376	146618.5405	120101.7853	180385.0634	130009.8215	109240.7167	168620.7195	110398.3229	170728.5249	227664.456	144669.4808	215792.5489	192919.5633	149860.9342	175928.1938	162545.5877	168492.2678	200291.2043	231280.2877
[FA (5:2)] 2,4-pentadienoic acid	1489990.679	367086.47	498513.4911	1224925.801	352254.5519	352218.7901	267671.3324	344703.5115	274588.1742	243283.6863	399727.0251	413842.8693	487301.7479	282867.6459	327080.4639	382604.0896	1375437.239	243458.4616	361292.7102	368849.4135	350084.6612	553373.0676	294497.5698	252076.0089	336378.5099	393366.0413	372029.4833	536256.4704
1-Pyrroline-2-carboxylate	109722.3841	77382.91135	107801.7672	131683.7939	80169.21102	96362.13389	83484.83137	88711.66844	138338.3774	147519.7065	77098.19881	91805.4148	104303.09	185671.1857	117937.3219	82144.38165	255683.9342	92633.67054	114737.3079	118711.6718	100707.4916	102057.3268	211287.1424	167587.4953	83747.75393	126023.6178	71210.01411	135837.107
(S)-1-Pyrroline-5-carboxylate	55072.05226	61327.4152	50215.12046	51700.91344	88330.9566	62494.51116	75297.98938	45992.19864	46453.45962	70873.85774	67628.92399	54833.28139	74616.89694	55514.65949	69236.74284	83758.83623	53193.9075	60321.50518	57447.24423	66327.77714	84651.19016	102863.3396	59104.41366	61696.71683	69390.8321	69387.92652	75144.39183	83205.56863
5,6-Dihydrothymine	4582129.614	3915991.576	3287096.64	3757256.076	5647064.25	2605883.822	3903761.005	3222578.443	4487599.493	3120807.987	3294086.104	5796618.396	2480794.247	4754288.349	6092764.437	3072539.05	4115584.494	3250609.798	3669762.673	5281603.607	2382805.693	8635695.569	3638331.488	3461034.005	3122669.62	6357130.258	3251346.582	9112205.823
N-Carbamoyl-L-aspartate	1212517.237	1580368.314	1569874.048	2587794.06	435575.0508	241380.0581	1308392.642	1194271.088	1686224.379	1428186.729	1997434.787	543112.5414	270082.7101	3686176.845	790840.7614	397363.5513	1035305.226	1021196.271	1256254.553	508059.2411	233081.0928	876678.886	1068766.234	885355.4648	1215714.753	660092.7164	299441.9533	640499.0336
L-Proline	84131466.63	91875332.78	73547637.58	92761058.5	84701769.65	99248317.27	69902163.86	72819211.82	74685217.59	92385192.93	96318062.67	76250131.8	83888023.18	88408233.66	79339931.03	82773510.93	82388814.56	92872050.89	96895270.42	86135210.61	104422923.5	100639406.3	98292096.42	89812111.38	85884788.54	87007685.42	85503406.58	98339647
L-Glutamate 5-semialdehyde	42285206.71	47397367.94	44570974.35	37490927.81	68990957.54	69781568.81	40359217.01	41348648.1	51350806.84	48632960.05	47824593.62	58363418.64	76330543.62	54827963.39	60783566.99	64491361.56	42944258.21	46351596.31	46200788.36	60223461.3	63259104.38	51833747.33	51976860.59	51401395.89	44909221.49	63683776.47	75691540.25	60717965.53
L-Glutamate	68622013.65	30653732.53	32128704.84	61132114.25	71040193.9	70320125.57	28332170.34	37359421.72	63659897.3	37999947.28	50700757.99	74824895.69	64843174.68	70726586.93	65570190.93	62763914.38	59057468.85	30985493.34	41426238.8	74033569.45	74458084.58	29924637.63	67389061.3	41457912.13	45433708.75	73115702.03	67491623.39	42222894.31
Ganglioside GA1 (d18:1/24:1(15Z))	494422.0199	502405.1773	175091.3839	477357.0631	485546.8749	537620.2487	548942.4596	287145.3662	1339954.656	404593.6804	717071.84	615720.3487	489289.365	740727.7356	532093.0835	1171803.451	772587.1645	459821.8717	731942.7042	596232.1545	685253.7279	636529.7726	769605.4415	578101.3656	505013.7839	408516.6658	911876.7481	687045.9402
Ectoine	310014.0753	254359.6763	433469.2462	466879.5727	415016.9836	276969.2833	229252.9901	251319.9168	453930.8434	291062.6281	240047.4376	409074.0292	411061.469	494666.4944	489405.0451	291114.8654	269527.1007	253261.1594	386931.6025	521204.0704	597432.0157	279721.9975	382128.8072	411481.6058	325525.6803	491792.0688	286044.0907	472045.643
Asp-Gly	449551.9196	396378.4405	439289.809	346534.0971	233108.5984	306893.0597	370852.3192	412017.8284	408935.5013	441078.2055	455367.3028	323360.9532	379752.9567	412808.9673	397386.9127	387726.3753	372272.127	429323.7456	438884.3188	329894.9425	377239.6817	315891.3437	433447.9953	354150.8063	432499.0771	381606.8887	430231.5471	276336.8046
3-Ethylmalate	1376992.334	1332757.208	1021079.686	1204222.773	1531667.565	1898491.825	1355151.822	1128227.941	1261379.803	1157939.993	1333418.481	1546608.325	1406477.083	1315366.674	1702333.625	1556831.725	1315222.226	1393476.525	1167718.168	1729754.842	1343465.04	1762362.995	1619986.64	1183876.589	1043706.862	1888751.137	1549711.574	1543245.998
5-Guanidino-2-oxopentanoate	323777.2059	194356.739	439147.0339	438286.7414	299910.7794	401569.6792	234712.9615	184625.6318	566229.9134	596672.3288	261668.2299	294732.8368	331082.4576	409375.8118	285092.7356	286541.7188	426989.1453	250881.3131	341482.8935	276744.8015	437569.269	305506.114	486153.102	560983.9891	283638.4068	364267.2029	352923.8961	563688.2698
L-Pipecolate	2732734.523	2895745.199	3533183.164	2257626.533	348110.6544	222423.5334	3063139.054	4738442.994	2929169.715	2560358.879	5077718.37	531408.9034	302297.0808	2573992.35	1133527.546	637666.1649	1797630.973	2053666.153	3176808.336	479328.7882	286136.8054	2551545.603	2755288.072	2300158.739	4499014.004	1069487.319	444937.0379	1692449.346
(R)-piperidine-3-carboxylate	51742.38943	112319.2446	131225.2814	41894.37055	55955.19403	101851.1813	128489.9996	108390.9713	45539.88252	92268.0024	113508.3913	61827.92822	94199.66089	47893.22201	55617.22506	90365.5851	45120.69511	116336.6626	124601.4812	51726.79671	97903.1295	80897.46717	46408.89284	107892.625	100172.0366	59351.65399	88169.75386	64710.0604
N4-Acetylaminobutanal	907909.8432	78156.72759	760883.974	1546259.046	425238.7453	138102.2904	182219.9477	920460.6408	2255326.304	143133.4389	600672.7572	382408.1289	112870.0835	2507681.903	829988.8702	496917.862	604679.2161	196438.7274	145429.6857	636692.0341	41779.09797	177492.497	958510.7118	238117.5428	1133866.221	886271.708	549245.1929	768845.1293
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	619372.931	1895327.581	1305868.305	607534.5265	77868.56969	194910.4355	1756948.713	1336866.381	529552.1277	2015432.445	1664841.828	87245.35513	162179.0951	638046.1227	81493.14338	156677.7052	517010.4542	1957626.954	1505921.718	80210.27265	202980.2865	2359213.455	689503.0348	1506517.077	1210493.482	69411.56917	159990.8578	1782001.917
6-Amino-2-oxohexanoate	47384.52235	321594.0126	290051.6639	33282.89878	27747.93845	188246.2164	398146.9298	227160.8175	35439.75285	302738.4877	180469.9501	34165.84628	191222.0403	35834.0853	36806.58187	212239.7843	30512.34489	306310.651	231796.3722	35226.75957	149651.0431	335360.9776	47613.56692	257327.3861	191739.5524	33806.86416	156246.5467	377288.9085
N-Formyl-L-methionine	45596.5115	74551.06351	93187.99332	46137.04154	71388.62816	91552.18491	76733.67393	83144.09552	0	125786.2261	69230.379	51252.75981	71467.5653	23110.78406	72592.30247	62010.23682	0	74870.85519	69070.53515	78380.63357	58917.39501	90054.20594	21125.99554	123312.1668	66699.28026	86249.45848	83097.34752	89762.25463
L-2-Aminoadipate	200101.0237	296558.5479	160353.723	291453.4743	273315.6832	296677.768	177835.108	156676.1342	176000.0645	245759.2936	159512.5255	335160.2157	237342.3388	218534.474	242541.411	185569.4731	407508.2919	231907.5531	170857.6399	233543.5887	184534.5777	324353.8209	246823.2492	248786.9159	136463.1539	318580.4909	140323.6617	392937.797
4-Methyl-L-glutamate	1791625.123	1521158.526	1145323.006	2250899.907	10109566.06	8309161.446	1806930.577	1136156.766	3013851.16	1433750.322	953903.2408	6518258.195	9522424.253	4610730.465	6124290.585	10148752.21	1406491.352	2163308.363	749451.8284	8044032.065	4389465.26	1677505.718	2362531.333	1927042.943	1140483.775	8481421.436	11003307.24	2275122.693
gamma-thiomethyl glutamate	148993.7525	127997.754	123774.7726	150943.198	255405.6989	468796.0126	123010.1512	123243.7655	132026.1338	323204.3681	268029.8623	270156.5775	525391.7283	145316.89	311425.3555	417398.3847	133841.5976	202705.4933	140941.4555	224032.6776	426667.7144	208613.8696	141917.9622	331687.1533	169822.203	240171.5548	387953.7044	320618.4033
3-propylphosphoenolpyruvate	106075.6051	92644.73503	51695.18027	83247.34803	63245.822	62267.37965	61742.07251	60087.59878	103560.1468	80448.356	58297.32785	34919.14481	40567.21004	98123.16788	50748.80743	51690.61242	108132.3571	78192.38979	61730.3509	70119.60061	45479.67695	80847.84326	107645.2652	76860.26019	60357.19466	47171.8804	33653.13008	73847.05554
6-deoxy-5-ketofructose-1-phosphate	647883.6219	568328.1435	422572.825	616567.5775	318711.4344	322948.5427	628756.9481	464872.3077	720089.1549	648245.4912	447500.9932	338866.0968	379394.7794	655171.364	439914.3452	374109.1656	572324.6091	615168.0542	458125.8852	358206.0423	244897.6485	769502.1487	707621.3643	514284.5479	470405.1234	383769.1485	270243.0656	755600.5156
D-myo-Inositol 1,2-cyclic phosphate	266404.621	124841.4446	282299.1277	204883.3307	280559.6483	162353.6576	107944.0429	285165.6928	154514.4362	102037.7569	157290.6571	283039.0863	161196.2803	159524.0211	188329.7598	173946.2277	232566.5807	87871.96607	122594.9746	168899.9696	135100.5506	76684.24268	180099.8342	80302.71529	116547.1229	186038.3227	171624.008	92866.17728
L-Citrulline	13314719.07	19405444.12	13990640.83	15975515.63	22473292.11	18695613.25	18000210.79	12854173.91	13215281.17	17256856.79	16588110.79	18670593.02	20405194.83	17681646.73	18359653.46	19505757.79	13415523.79	16716969.16	15587500.02	18864322.98	21565603.77	19237267.05	14154061.88	18603937.36	14292277.79	20399280.87	17381020.35	19758149.26
L-Leucine	69938854	71096051.91	66911760.51	63386723.31	70357115.12	59933673.76	61911038.89	56925627.33	69097041.55	66761375.27	70900796.14	71261805.42	70208985.17	65748980.49	67537296.66	61324375.06	63869558.9	56989667.59	58839301.89	65135303.89	76425472.99	60205520.96	61727436.55	56052380.22	66872125.43	80427272.23	69594166.18	78130398.44
L-Isoleucine	66134648.55	58216332.36	57510934.65	55141295.88	65234024.21	68781391.97	54081350.79	46540974.51	61847515.88	57610011.82	56453086.73	66701049.87	57361269.91	71172342.73	69504402.39	69169864.35	61682245.24	60113545.67	55960529.37	66345468.01	62729422.88	65371083.4	63771912.16	51481585.27	47400535.97	76040330.11	64898487.29	54222135.64
N-hydroxyisoleucine	28708.37697	536850.4309	549210.4169	24543.96864	231367.1317	823636.6844	427633.6512	531219.3559	26223.09718	461115.0885	541405.8369	189231.4709	729603.7063	36602.53811	209785.6992	779496.2367	24622.61836	535376.0291	556192.4562	225829.8825	727147.2779	264663.9099	39620.3277	451851.4983	549887.6435	219084.6436	677223.0738	273643.9109
Deoxymannojirimycin	53127.35798	108638.8982	64857.03632	57147.97847	77574.02393	69473.86417	108744.568	84415.10737	49995.95144	80078.00494	50083.91898	60198.93903	74235.89959	53956.33088	56991.96558	66886.68189	48261.48101	89981.7711	71245.69796	57196.16013	90778.06211	128507.8802	26336.34438	94752.42904	83181.03109	45225.33763	72697.54673	143527.9976
D-Glucosamine	345197.9003	308880.1731	337050.1251	306809.0329	588414.2284	2025081.515	311812.5107	253140.6939	393885.5143	338198.2507	277338.121	634812.4553	2053219.827	373744.972	608114.5072	2022458.096	331608.6673	345047.4516	289647.9392	622996.1352	2019250.096	346072.8958	345457.4021	263418.3714	282057.8973	685186.2081	2010727.019	317804.0793
D-Glucose oxime	291517.5894	275462.5869	260450.3815	186824.496	228357.7001	221810.5404	379485.7611	240119.3326	276504.6967	264127.9593	242491.2367	238232.8921	225139.8197	268420.1664	235846.715	227848.8667	209975.2078	123702.6299	266873.4256	237613.2772	174551.6067	309881.0337	239828.6853	279148.9226	227654.2681	302627.4444	228349.3093	267874.802
2-Amino-2-deoxy-D-gluconate	106557.5664	711563.8266	630774.9543	98896.83618	1010496.808	182032.8462	748855.9385	685144.7245	97104.90079	627106.1139	594975.4017	1142621.854	168616.5916	114446.1185	876801.8884	170709.8847	93431.62711	736868.9616	690554.6	854409.3234	168042.3059	405883.9024	106739.6878	597061.9954	637879.5596	1074083.281	176046.8272	360198.8988
D-Mannose 6-phosphate	328119.1441	224044.4791	379810.2654	285229.9078	144406.3671	223914.2296	212689.1134	349060.1187	202103.8673	306537.0389	325793.1297	354410.5681	302433.3279	224863.951	246662.0877	389259.1248	291832.6418	369067.0397	284565.282	231781.3317	316342.9095	282825.6768	258091.2094	296019.3409	285072.6746	246128.1996	395361.5758	324109.5172
N-Acetylputrescine	116821.914	186486.4253	113228.6704	248206.8919	182644.6588	106070.4249	197713.8386	128763.0462	273894.8674	214936.8886	116318.7969	134522.8364	136693.2311	125231.7953	218190.3838	132500.0913	114646.5076	215016.3565	203129.2175	240391.1377	189816.188	173058.6436	117045.5772	164074.649	97832.96684	106078.8082	123476.3477	250181.3906
epsilon-aminocaproamide	2885374.426	2200959.032	2541908.934	2500728.466	3101018.538	2541381.84	1853774.511	2187162.07	2959215.789	1899689.486	2294765.803	2891501.558	2645970.143	2635780.79	2699326.903	2577690.211	2580032.887	2051682.068	2395225.106	3502447.018	2880346.873	2042927.625	2794011.619	1950490.519	2365912.524	4086052.729	2446942.797	2420285.771
L-Lysine	2733038.859	3494659.886	5293717.297	2563894.238	5911189.642	4628060.977	3987118.932	5372916.787	3386926.288	3819890.228	4537408.485	4987351.518	4670965.996	3514808.628	4582524.916	4919608.354	2760606.384	3999797.446	4411883.549	4766663.115	4962287.044	3433207.587	3039251.973	4107607.032	4619907.333	5778633.706	4917274.28	3742040.547
L-Arginine	21801023.53	20693416.07	20847713.81	16619689.65	32856089.68	31851785.54	19453142.6	22352331.98	21219965.77	19087129.48	20868913.58	29573649.25	29852044.29	22956423.7	25965795.61	32317657.75	19321270.67	19925276.37	18747128.41	27976146.92	26559743.58	23601276.71	19737052.96	18202990.43	23601926.62	29831206.43	30416785.62	25081120.98
glycerophosphoserine	790490.2986	818872.7663	270883.0344	612848.2375	508531.4515	513734.7274	624872.1716	652133.797	858556.5111	702498.0965	635311.7257	436560.153	1065001.626	768012.6807	400755.1305	884732.1392	728939.0469	932690.6835	680143.8	480903.2473	1134542.2	692542.8384	422640.7302	621866.0256	650388.2119	566332.3846	950253.1474	575426.2118
alpha-D-Glucosamine 1-phosphate	200978.3914	50062.98019	47671.44103	194677.1987	181583.3251	120539.3173	62613.94511	39891.44268	199895.4522	61187.80001	38375.8293	218633.9804	134819.2596	254347.0522	186692.718	160202.7884	211588.6022	53659.54166	56048.13775	158098.6653	109122.8891	77829.35686	238053.874	50833.21651	44798.82307	241681.1198	140048.8527	89031.77685
3-deoxy-D-galactose	397650.0747	382911.6204	358565.4358	460795.9933	332382.1463	243132.6757	395824.9883	295689.6718	163528.1311	138695.5451	131256.8651	388611.6472	239744.6962	194250.4178	165680.2893	230909.0798	291234.4343	282889.3224	227237.6648	212666.7672	201478.0247	272050.6642	171196.2536	143338.8267	161161.9964	196069.9227	177332.4993	167671.2409
Picolinamide	523666.2548	544288.469	519836.3268	753503.0705	644197.8149	497661.02	435518.6819	495679.3063	472396.1782	494463.2561	534389.6262	528579.4534	400931.6595	590634.1892	447162.4741	426070.1246	480338.3179	608314.4134	596463.3242	521636.3482	527811.2001	469015.0354	613015.9096	453894.0222	582094.5212	541547.3498	483427.6316	566548.4085
Nicotinamide	1732179.84	2253647.818	1794951.938	2890131.821	4302835.554	3570527.457	2626249.319	3296053.344	2242480.862	2578256.767	1312664.614	5626731.677	3178632.45	2032780.175	3117088.195	3007119.906	4561987.506	2825135.283	1624003.877	3635719.189	2048280.804	3887199.296	2541138.295	3488972.789	1062642.982	3387814.591	3193362.306	3792941.69
1-Methylhypoxanthine	159089.4714	183275.0819	129848.069	118417.0602	182180.3786	163089.9657	185382.4708	106821.3908	110668.6347	128118.5845	147908.3936	172049.4479	152363.7831	159346.5314	121250.0202	135882.66	169470.9093	144903.8812	107226.1362	159947.4246	154830.5478	114896.303	152776.9045	131137.1472	131213.354	192742.8384	141796.8104	152159.3457
N-Ethylmaleimide	425132.487	395924.7792	365119.2976	373342.6066	392389.5291	542113.7355	453278.5031	339521.2769	383888.6025	367149.7057	393092.8259	388091.2579	542019.5059	460691.2659	327771.1435	579661.5025	371187.5384	410579.4217	385303.0774	397564.9395	538859.4102	379132.1058	460404.2096	342370.6599	456556.1603	391148.7163	644757.3164	301508.7093
4-Imidazolone-5-propanoate	257145.2444	264831.9079	185989.6542	285059.1011	131365.8168	102952.2053	250653.2632	122914.783	161923.6662	184572.8145	119145.4017	137212.5353	111246.4299	194029.7106	71990.90088	46875.2831	167384.1665	184374.0807	135098.4579	95991.04081	86432.77032	251973.6871	202749.1591	150965.0001	142472.1388	53880.1661	103974.0479	197142.4743
2,3-Dimethylmaleate	1515207.805	976316.5511	1830982.954	1763060.804	516136.6799	860141.6004	901809.955	1783872.178	347125.2006	281170.2221	286130.1333	555582.7338	714725.2962	413050.604	418247.5772	511128.0045	483901.4974	276419.5176	379841.2648	422433.8566	460849.1018	322969.8342	355608.8132	526421.3116	342098.9449	377123.9822	544875.5396	224575.3028
Methylitaconate	236412.8734	327681.5315	411120.4071	530887.9642	516136.6799	860141.6004	222815.7959	397770.987	272719.1794	254971.8567	130433.1659	424314.4352	714725.2962	347363.0775	380446.1982	505393.8246	576069.2445	471823.5791	197567.701	403990.911	379791.9898	358006.514	342033.5689	526421.3116	141907.8541	377358.1124	439848.1835	668256.0192
L-Histidine	39944157.2	44649694.44	37216210.6	33625883.71	46859204.82	46854438.15	43265080.63	44704663.95	40325486.55	41573336.82	45951742.4	49241907.55	45949475.76	43906946.3	38555272.27	39875239.18	34559555.84	40948131.53	41215596.91	48904867.51	48957703.99	45777570.67	48045176.73	45948517.69	46351561.45	45331735.26	47096958.38	50432901.53
a Cysteine adduct	1010219.285	594809.0079	456911.5534	889817.298	71708.71457	328900.9173	492509.7304	862877.7409	132832.4784	212493.6244	308302.6641	105828.9586	405705.0108	67771.01122	58479.33828	58724.04409	713411.5351	477666.3392	579021.6489	0	156028.9286	4279208.932	142000.5398	259337.9596	274570.7802	0	111781.0739	1963082.874
N(pi)-Methyl-L-histidine	2069734.122	4470866.638	2726761.797	1936624.957	1390657.477	709930.8109	4056835.847	3013801.963	925350.4123	1637418.818	1254796.437	1318773.109	541567.6159	1183506.258	837718.2023	391071.9997	1193950.812	2577417.028	1919852.521	950211.3427	513298.4946	2277249.784	994571.8212	1723727.969	1194804.511	869328.058	393686.2873	1457928.121
6-methyltetrahydropterin	878436.67	823183.8768	1016302.131	795228.7178	646565.494	1070487.061	968224.0735	741728.8931	698396.2708	1256019.949	741819.3114	1041028.975	1240926.242	1003822.653	791062.3067	1031140.666	1162364.454	1295099.272	1008401.454	817547.5464	797678.1998	1217818.419	861201.9295	1043692.714	818260.7667	794975.3297	923052.9018	925406.6402
S-Cysteinosuccinic acid	180971.6657	212532.0759	230525.3063	177445.4229	204167.1692	346834.5208	215414.8488	194164.434	213451.6168	233967.5711	258091.3557	206219.0159	332755.7072	201397.3459	222655.3245	277852.8844	216230.5375	263968.5417	227423.3368	229234.7148	260951.9636	244530.7963	212240.158	224761.1737	210676.3492	267056.2213	274721.7007	253989.1762
Asp-Ser	125795.6208	137253.2412	137556.0204	137175.8102	125413.148	125429.7252	160898.3878	125311.6233	174191.6241	152594.1511	150750.2991	132800.2381	146120.8208	173739.8817	140539.9507	161986.4001	125192.5607	165491.3063	166388.0164	122160.7397	145819.1049	118261.9759	140933.2842	131465.4475	173511.3255	158597.5998	152243.9951	135135.8872
4-(Trimethylammonio)but-2-enoate	1730173.67	6618472.72	6525279.124	1911750.5	11202492.12	68012025.17	6444491.565	5913621.597	1940211.889	6669202.972	7023192.07	9549081.926	69075363.23	2066350.23	10032239.21	79174662.63	1555182.929	7190382.138	7161824.336	9823685.177	74155409.44	6490012.661	1777028.119	6065244.029	7473943.43	10821123.9	79896625.82	6230349.386
5-Acetamidopentanoate	819562.7499	4745497.892	4808154.134	852085.5296	4149045.488	18772549.93	3981615.146	4158778.64	798207.6081	3781445.35	4778595.269	4248707.94	13905762.4	929286.1536	4013588.106	13459692.65	781007.5018	4504482.323	5593243.676	3780591.851	13771718.9	2624223.953	935669.0047	4028662.186	5222929.019	4567179.273	14647714.73	2427533.132
Calystegine C1	243383.554	160336.5429	170898.5464	236065.0974	335381.3531	233358.9043	146903.4131	173290.6487	307743.8987	156909.3867	191426.5269	275173.9431	225866.1644	316013.49	264533.2023	205169.8018	257395.1654	145710.4961	194034.1614	278237.352	286559.25	174849.2096	372253.7442	157847.2917	171106.8792	303645.9918	215489.9166	155725.2011
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	448655.0507	256404.0902	229522.4939	543180.0526	778681.3846	288979.9165	204318.7632	179535.2127	477461.5011	201657.661	192708.5102	819473.6171	261838.2556	596988.9025	808241.6967	259980.6214	435384.1007	207874.7332	262114.3011	788124.3636	286559.25	228260.36	493022.0486	179783.762	174735.8599	1015305.842	272085.9881	256039.0559
beta-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	408337.5601	188115.3208	428267.8245	417091.3227	1077547.053	1690679.505	192460.6324	471470.9155	400292.7074	293510.4544	502535.0189	1037652.858	1824594.356	482590.7376	1465628.35	2242247.499	329692.8767	199256.9588	465079.7884	1181051.928	1784023.463	160355.6879	380801.3724	284833.6734	407205.8429	1464509.157	2304567.01	271825.8397
Val-Gly	927921.3355	1801510.201	1550445.306	1030665.464	419051.5884	474318.6717	1917302.542	1456890.805	680267.9729	1548171.889	1182949.433	649977.2793	393948.1942	915383.3088	403473.3837	331196.0711	881366.8297	1747000.53	1224030.645	451841.69	376462.5632	958038.0532	754001.5221	1449356.379	1241777.836	410877.7089	383264.3769	1181446.993
LL-2,6-Diaminoheptanedioate	62194.90114	46784.01825	51832.24396	58090.3799	87990.31374	65198.45078	58743.38269	56458.10523	50007.5915	51325.09508	54222.49167	86137.8298	59675.45281	48186.3819	68517.40709	79122.41189	62182.38249	52541.42945	46087.12951	108779.984	72757.52913	50441.60599	74617.40679	57609.67688	52444.05973	68243.36304	61050.64236	43176.76844
meso-2,6-Diaminoheptanedioate	2273377.264	2341937.222	2543033.439	3189687.233	2396377.685	6432488.479	2724561.143	2060306.096	2714249.408	2263412.17	2108521.619	2451895.319	4214426.213	3065483.624	1774283.631	4740686.932	1881778.205	2211496.715	2070845.017	1753846.54	5348377.183	2155723.915	2239662.478	2078895.978	2209937.389	2240600.711	5426829.729	2205814.67
Thr-Ala	1241667.053	376790.4264	667565.9158	1388201.932	2449812.548	3836201.354	286921.9726	539213.8368	1323704.957	383007.4933	682845.1917	2300478.235	3578014.637	1353520.492	2481564.692	4341509.156	1236430.54	296472.0973	654272.3678	2446258.668	3908709.309	234355.4175	1301268.521	368404.6951	727479.9716	2577170.384	4894443.82	295230.9577
L-Homocitrulline	131285.199	559048.1446	394136.3982	118681.695	303185.9287	245756.1203	661227.7543	392258.8101	109645.3236	541293.6154	306862.0946	300448.479	272305.6245	69505.41338	229500.0533	231382.9132	87271.39992	666408.0448	359351.3819	235574.2619	241729.3255	331213.8047	93877.09192	429743.5354	372946.9089	264582.9456	226257.6515	253298.4304
4-Trimethylammoniobutanoate	21654707.93	20178227.29	23557363.62	22610508.01	24932375.74	35083126.11	13802852.22	13424063.4	27261237.16	14990804.89	19731825.34	23587657.59	43228783.12	25556665.86	20130048.62	33037427.41	24643733.91	15619390.38	19308840.12	24060910.07	33596940.6	20216942.69	23826004.17	16519013.34	16718031.36	23616371.76	31608226.53	20209248.56
L-Carnitine	42943626.88	58731521.14	45732252.84	41484806.72	74455587.84	43853907.63	58601583.1	42931674.45	43572669.92	52293505.43	45416642.05	76250131.8	31287965.4	45169921.06	73438613.84	25983684.74	40975675.92	58762679.47	48798705.03	84711488.12	31932227.33	43283850.86	43248522.42	45627760.15	45892635.1	80427272.23	32519328.41	40147837.54
N-Methyl-1-deoxynojirimycin	4193953.612	6099396.838	5916990.392	6201581.793	8470176.965	10155641.77	5625889.602	5049747.974	4899385.011	5783128.743	6602901.515	8266369.429	8766676.296	5688820.213	8786405.585	9285028.618	4932851.277	6205633.188	5405513.302	9894871.301	9761273.283	4892961.023	5552308.216	5938125.41	5977419.347	8773884.244	10232374.89	5552959.282
Putreanine	84521.34626	712971.419	581846.0751	77241.23054	137703.8487	207207.9344	749856.6453	486561.9453	75496.34088	543284.9086	371708.9618	174522.4218	222107.9242	84613.54588	114326.4023	214057.7425	70023.22412	559858.1043	427772.5202	129449.4313	193559.0735	218388.8616	71173.61418	492173.6781	427598.85	143488.2286	205767.4522	223320.9366
4-Aminobenzoate	843157.1454	3171131.206	2384263.444	723902.8718	828550.4907	1549750.164	895119.5067	690612.8933	884293.7432	684719.1762	779074.0009	792826.423	1445087.868	965790.582	758896.6856	1274486.061	751426.0444	2626498.43	2425000.039	725407.8311	1656123.92	2885762.614	966961.9645	2464851.498	1932936.163	915888.8682	1433624.405	2642024.984
Pyridoxine	14338928.23	13995961.91	14820125.47	14880419.8	15505888.48	6880902.763	15094347.16	15007089.74	12007026.89	10458701.09	9899356.442	15606335.39	7067669.491	13001210.83	9835528.64	3493888.251	14946643.35	13424232.81	12287443.71	11603338.29	6013967.384	11132677.69	13760893.5	10905756.38	13374425.09	9870619.774	3648104.465	10104624.28
Norepinephrinesulfate	108468.0823	59947.33983	63065.43163	117957.0898	0	54119.30438	50506.25568	82364.95965	44590.6861	45096.7275	88220.39539	0	74974.8853	55732.31949	12378.81705	49371.24466	94161.66579	85259.88687	75871.38844	0	39601.77302	302186.3774	63727.62542	46278.49388	90805.54439	0	41071.96872	243688.9721
Asn-Asp	259733.2015	185446.4685	239561.6774	154643.8066	116791.7331	145065.8413	270915.2297	326428.0264	363789.1038	398884.6459	550765.7871	217601.5973	181884.798	351363.968	249067.0384	209211.3535	252955.3288	270443.5177	376805.6518	179705.9788	139706.5213	198921.9413	276079.6459	282940.6025	369908.8984	189622.1345	167259.9067	176073.1344
Crotanecine	94585.43008	32738.88198	49890.31675	102636.3972	175126.6295	268483.2637	49026.02148	55981.97048	132049.473	67132.3868	54833.48325	171416.81	275651.7223	109947.5602	211020.2424	276677.9054	90638.24529	51066.20507	71669.72992	271412.6715	263323.8017	34507.45659	100112.2511	52431.08711	59357.30375	282182.7404	276307.456	48603.04542
2-acetamidoglucal	114304.2569	199552.0824	53176.30285	83935.72347	106672.5933	144455.5892	134125.4453	42714.99277	212620.6824	82808.21618	151975.7207	77655.69851	137873.2017	180161.7717	93916.27666	211538.7062	131238.8652	87250.48192	163183.7693	105939.9913	166416.562	135226.8686	119161.8798	111508.9658	172477.0817	84415.4596	120383.9563	136442.3836
N2-Acetyl-L-aminoadipate	5565622.801	4547490.665	4254303.097	4431849.601	4544032.381	7563024.137	4756342.604	3896925.186	4813919.523	4220987.951	4579436.939	4723526.418	6240334.442	5400421.782	4207743.081	6889653.183	4735897.535	5166880.828	5240433.251	4540839.728	6379057.166	4258150.359	5626157.427	4168458.747	4889144.672	4877320.727	6334862.591	3985050.897
Ala-Pro	2675373.689	1122907.616	2165354.707	1447790.606	835695.2387	202323.441	2567248.987	2876128.695	2989840.127	2822465.912	4791934.986	1504518.074	650546.2823	3384437.315	2479256.949	1172998.898	1801666.202	1689134.277	2935024.795	766366.3246	350741.8446	1339477.1	1543791.885	1679806.438	2693149.63	718593.3207	346377.4758	1073762.599
6-Acetyl-D-glucose	324299.5755	427891.6797	490477.133	461418.9498	404885.7297	371488.0144	468983.0816	394056.4553	485154.1163	474983.9798	432234.4549	329530.6445	407968.8538	478957.0849	307196.6314	334370.1429	290238.9104	368927.0984	397198.7272	340854.3133	478815.0942	603754.6685	415467.373	396399.6614	434505.8964	358227.7317	440556.7843	540713.8953
N-Acetyl-L-citrulline	141819.2017	246960.7335	49062.76326	140246.6482	84102.48544	154058.2246	296240.3861	182817.0638	122224.9498	127886.8589	381332.1563	87613.35002	134510.572	132858.9208	145974.3467	181616.9142	58955.46256	286814.0372	139165.4153	119233.0991	70087.22499	117737.1954	155571.705	152516.7524	405118.8754	199282.3753	150430.541	149892.7973
Homostachydrine	243474.6355	320357.9083	347819.0822	276327.6444	208525.2119	667569.9077	319700.3413	254651.3562	346017.0049	409996.9069	318974.2373	242908.1787	592548.5309	415891.4615	211459.3578	608080.6179	260898.6267	348494.6932	306476.6027	284042.3802	710271.2471	278240.2938	269708.1556	303088.1354	343055.6425	294382.7579	659394.8689	194777.8681
N-Acetyl-L-leucine	477886.8946	3068782.085	3339687.348	585917.0128	538946.5591	2933157.841	3319272.771	2508130.634	447208.5131	3068080.228	3386045.106	554296.681	2987372.858	564185.2224	522923.0103	2471907.104	424043.9274	2903629.685	3118292.018	565876.211	2567806.414	1564298.075	666131.8773	3627355.21	3180078.684	578378.7449	2733177.015	1356378.452
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	261004.9583	265146.6024	176866.8957	186799.5543	219610.0437	296255.4096	247015.5608	180926.5345	228136.3193	240139.4304	207652.2535	214592.7234	293155.1756	214190.6999	217597.4449	276254.7259	207264.0325	240041.2714	216003.2111	219619.8052	254457.2408	254239.9385	215218.9982	248966.1142	290053.7465	248422.5246	243514.5123	234487.7729
N-Acetyl-D-mannosamine	1420741.886	1687595.199	1578827.367	1599772.353	1684972.133	2707019.204	1642467.171	1400410.325	1694102.197	1545478.338	1501116.672	1694200.253	2364805.452	1976263.54	1418751.565	2621037.439	1857476.968	1629983.329	1667519.332	1732944.87	2457927.582	1376285.963	1882499.47	1398566.527	1512300.66	1884672.56	2384328.372	1213025.297
N-Glycolyl-D-mannosamine	85431.18352	75016.6855	71182.1634	87960.98576	100094.7046	68711.1031	97144.32006	57561.16788	85065.17786	87547.22659	65930.47161	103340.5855	55114.27181	98105.6395	109207.655	54143.19379	80250.26546	76295.41879	72926.10461	119529.7117	55769.09471	100685.0573	76745.98356	88299.37623	70338.57645	127100.4978	55343.49256	103100.0556
Leucyl-Glycine	1390288.124	816801.9221	685523.4978	916483.9282	921222.5945	1295195.83	742501.178	672163.2753	1140332.925	834833.0219	975462.8519	904942.7105	1233243.119	1366177.821	778030.805	1220376.567	1085989.749	919556.3593	820093.3077	882902.9934	1444193.624	814534.7762	1092894.388	873575.5439	980496.9684	919458.194	1207451.775	818437.6892
Val-Ala	544000.556	200556.8615	268510.8466	562616.1918	1356845.162	1748575.126	164936.1256	211333.0869	531113.9851	193236.3095	285519.7635	1255158.408	1734604.235	695212.261	1300184.841	1988124.723	483655.6069	169632.3181	248827.7786	1298312.381	1568316.159	240329.1567	554055.543	167627.2016	253419.2335	1736975.734	1910028.711	215798.1651
Val-Ser	1103528.854	329047.2648	748748.3374	1410416.756	2792405.762	3967894.254	254773.132	523539.3431	1129536.607	363376.8927	598231.2782	2440683.699	3524199.715	1346957.667	2815146.318	4163811.703	1159222.651	314852.1094	644016.9162	2935361.444	3938836.836	274195.5693	1148781.996	341206.2849	651794.0836	3194664.476	4369984.146	305824.771
Thr-Thr	253594.3707	91131.61621	82262.79933	224566.1484	289709.1684	351939.6061	84226.53288	80876.13325	221758.1289	85853.99966	92804.47045	259607.5366	403543.7134	267727.8288	273472.6323	412016.4421	246743.1302	78840.28448	85262.38544	287118.4661	392636.0094	90477.11544	234630.0163	69852.87317	90126.50752	334616.181	443396.1807	79615.74156
Methacholine	14046297.04	17516418.59	20128827.13	14816002.4	45424739.37	39545453.55	11946328.23	11967679.16	18199330.07	13683467.26	17190098.69	43184654.08	47612121.27	16418671.96	37899570.36	35916506.05	17133957.01	13593091.08	16500281.56	44135397.17	38364074.07	12201414.75	15884002.78	14353899.94	14620082.32	43650074.11	35392803.54	11548142.03
N-acetyl -D- glucosaminitol	971748.4343	1287198.098	1412227.866	880765.0426	1331499.182	1278988.926	1212723.338	1256010.382	863022.2378	1284167.037	1378035.817	1092393.238	1128530.083	934770.0644	1213087.219	1247048.891	813844.8216	1510183.871	1441219.55	1116041.11	1416635.62	901231.3387	870830.6233	1291111.749	1665118.71	1218613.282	1147374.506	905801.752
Ne,Ne dimethyllysine	127771.4186	564387.7543	521534.6621	143392.7739	298553.8007	432741.8975	715362.3288	503478.2835	119559.9939	647500.8534	478647.0524	371339.8343	365568.0635	122652.3319	243238.3197	380958.5162	142631.4201	611600.8704	524399.8365	274604.5016	507397.3698	387738.5841	128101.1774	520478.6266	467370.0222	313742.3563	360074.5127	349246.8
NG,NG-Dimethyl-L-arginine	107530.6336	196099.043	236405.4192	81559.59201	59774.68777	66800.63911	212215.0692	190426.5922	103538.141	130642.4406	147262.3436	59254.49741	59008.76503	89187.71427	45208.1519	49764.76747	93758.80133	155774.225	169490.3436	43556.45655	77603.18075	128651.3386	82967.31425	115210.3074	156931.9043	56727.70852	48476.66995	133979.8325
N-Gluconyl ethanolamine phosphate	2867338.834	304396.7427	431743.3651	2612021.284	294791.2106	400043.0151	319324.1934	368392.9862	202202.2267	873410.9762	639939.4659	318219.0576	384144.6553	307747.9005	373691.8538	491411.4892	3045935.983	601316.6627	398866.6599	374422.0635	486562.2063	237569.6999	249262.6379	1110664.182	647279.2318	528625.7031	548256.6036	499090.6247
D-erythro-D-galacto-octitol	497403.7945	366654.8116	352764.0548	417052.954	386422.9213	467986.0136	384915.2866	298293.1169	388071.3806	305609.1288	370279.6168	436983.4036	408841.4121	464569.5271	339015.2428	457764.5068	387344.2675	355145.2027	336178.404	403141.4381	372248.1903	371910.7274	415392.1304	360879.0966	392727.2083	419794.9456	474244.3818	351737.4884
Octylamine	152168.8237	145138.0579	89142.74363	277945.2056	367087.1381	355064.0768	111902.8407	90427.20397	310638.2813	114373.6315	87284.22583	193198.7492	276315.0328	408547.3561	320966.6583	410196.2795	490162.5005	125068.9044	119516.8054	146380.8842	534140.7521	140894.5009	653145.6729	93694.58069	103712.2436	293849.2875	309438.6463	203786.4903
sn-glycero-3-Phosphocholine	20337867.59	11935206.78	17197981.42	20033811.94	9699718.783	9617085.007	13641415.35	16210189.76	18576909.53	11766038.72	13176846.07	11259365.26	9900298.231	21099107.86	10753511.31	9357005.584	22966793.44	13508661.95	15517286.06	9894871.301	9004585.432	15229503.08	21702894.89	13792574.25	16521348.64	11698512.32	9811866.329	16690674.03
4-Nitroacetophenone	308173.9738	362964.2085	268535.7657	272193.6576	289608.2222	338435.1751	301487.7906	237588.3901	313943.9658	393592.9245	301898.7462	333846.4153	310103.1542	348277.9913	338001.1178	334345.1309	279558.5768	346371.6698	305467.255	306457.1557	308761.7722	346103.288	371786.9059	300697.0132	303800.4141	298341.3335	299479.3391	342509.632
Pyridoxal	272624.4741	205461.0965	184149.9091	245703.7122	508011.9701	612895.433	213387.1008	196926.9536	350988.7116	220681.7659	351671.0006	566953.9356	572927.708	421122.0808	723991.7059	976859.0569	340830.7463	190584.0417	208347.4754	604578.7276	406306.0483	225627.2869	338311.1981	208111.8527	329273.7973	1070224.599	880883.4277	298000.7356
L-Phenylalanine	14851032.81	15198069.07	15041321.37	13914158.77	16598814.54	17387689.69	15013628.73	13234100.24	16009369.19	14729337.36	14581484.49	16390215.25	17306628.21	17681646.73	15802416.01	15547024.66	15165374.72	15872677.79	14253434.71	16871111.5	15814776.09	16209178.72	17378042.65	13952953.02	13636668.71	19083198.23	16960511.8	14435177.54
L-Tyrosine	23922599.64	26961546.26	26930601.13	22997012.42	35656712.71	27928014.86	25507025.15	25898310.99	23107863.08	20307311.28	22006001.82	37768756.87	28189398.78	25779543.76	31080270.5	29438579.11	21946047.07	24484449.78	20572691.47	28901566.53	24819361.53	24313768.08	25320044.04	22693596	20323881.26	34729958.46	31047548.46	25622440.14
N-Hydroxy-L-tyrosine	955438.2692	451841.1693	788439.3154	1218653.157	504870.875	423268.7321	592912.2122	465184.8762	1147588.87	730536.7847	611877.006	709594.4158	609328.8279	1197044.605	785215.6587	429276.2036	971198.9815	358860.6652	459548.2007	719997.4628	465549.8359	627448.3464	1578278.551	728067.8951	340491.5144	644112.0916	859185.7118	632001.0559
Cumene	668068.4068	1035138.016	98696.99821	841203.82	738317.4906	332001.3693	448025.1456	802294.927	951215.1719	1194440.969	645918.5016	381602.4251	515984.8391	290498.0101	693063.1484	346973.602	671864.5146	95347.3879	271578.2439	572401.665	773019.9182	343080.7381	335117.5405	1153898.89	308375.5206	383153.6513	960325.7291	790451.9398
gamma-Glutamyl-beta-cyanoalanine	321127.1333	188370.0843	254041.9906	297122.6687	462386.8325	494661.5955	188071.391	246707.0374	380178.0111	274885.8772	286799.4476	411653.1276	539074.2617	289653.8136	386053.1872	527997.336	329604.4728	232632.3508	286424.833	413501.9556	475217.7056	328724.204	351714.038	236217.0043	291189.077	488336.3009	507343.6178	217891.2658
Dihydrobiopterin	10607880.58	8394509.197	11778681.81	12174888.93	17008661.81	12386805.49	8394717.138	13360742.34	17142107.58	9238519.293	12641745.73	16532738.86	13527888.42	10698139.2	12130485.32	13891554.44	11738583.31	9540492.5	9549099.114	12528757.91	11879999.27	10242063.48	11873685.25	11066135.15	10555306.07	14915603.21	12965680.51	14886276.84
UDP	285321.1469	431003.6346	364584.7293	263227.0975	677635.6742	225353.8351	439916.9789	380681.4261	288315.9486	475175.8316	456778.7553	604834.7962	208750.0555	296748.4118	656192.8661	210902.3173	274190.9318	465358.1541	476788.3619	685883.4703	160028.0475	438397.9731	329983.4739	446966.812	502302.0209	708356.4827	229655.4702	449050.1232
5-6-Dihydrouridine	214272.6949	340894.1918	182900.878	249139.2332	245259.1398	119022.9915	188794.666	171775.1186	306509.9218	192774.4789	195304.9801	309343.0435	98276.18895	344341.2711	286719.9009	169274.1691	164349.3371	216085.7042	199362.8527	219650.7712	88643.48707	254781.8494	205840.2613	135055.3759	192120.7276	269582.3459	129709.6424	272378.8875
Glu-Asp	173890.6539	158416.3377	236816.9127	183532.0823	177819.2301	218636.5657	177133.8414	245471.8811	153831.9849	183646.2798	250605.7827	202817.4227	176810.0803	173881.4091	233519.2396	219663.5336	155687.6776	248355.0086	265424.2752	156476.1556	158999.8033	138800.7364	133520.3892	226698.0982	253157.6864	218608.8432	174156.1266	168439.9423
dCMP	122315.7216	133056.7603	131399.1016	162266.0963	120781.0413	93264.75332	117308.6172	141523.1191	144386.0205	153600.7058	136271.4033	120459.9649	103535.3209	157286.9422	118587.1635	77739.23953	137595.062	147074.528	141252.7448	120040.3053	92573.45779	115559.6088	153514.2671	141282.7332	147620.4423	123096.842	97727.71081	124727.7437
CMP	58829.63676	54254.00404	61581.72555	44653.39806	15359.61222	0	40536.889	58925.94931	78804.99299	86556.78215	78695.45763	0	0	65298.14029	14113.38553	0	57885.87758	61503.65822	79975.53177	15685.52884	0	66024.7525	94998.93029	65542.85661	86351.1417	36778.42909	0	71759.14244
Hercynine	10388407.18	24814926.33	21953693.32	10886540.89	28006230.29	77706046.86	26394927.92	17413289.78	9666034.228	30678856.52	25684816.71	28504722.17	57890293.48	9806627.599	23211847.59	60244720.57	10863657.85	17307973.12	23942961.75	25769377.06	65453499.15	14071704.6	9436041.256	21009618.91	15996861.38	30927941.96	60623316.96	18855950.66
Ergothioneine	954969.9679	30825462.12	4540013.273	299164.0562	12158802.42	38468340.03	33094557.95	13487384.45	0	9325675.136	10300681.7	13183434	40583665.27	58165.04338	9310967.112	35556621.22	481154.2314	28790335.78	28928153.2	11033849.29	26332737.23	23690338.13	466961.5211	10985945.77	4067349.189	3091031.742	37074837.77	2768557.435
Methyl 2-diazoacetamidohexonate	2793087.145	10046181.25	9234928.93	2614109.696	4619085.663	9617085.007	13076386.31	7725168.558	802230.4341	8551246.669	7758955.049	4217669.86	6402352.067	781455.5144	2859285.547	6329166.389	2679781.499	10215925.6	11444876.14	2920387.087	7642547.299	5334010.995	2753231.015	8901021.752	7080577.987	2685453.093	7008475.949	3432698.076
Gly-Gly-Pro	1154281.985	479009.7571	1217823.211	592010.9795	401595.8515	151915.2855	986726.0503	1461231.146	1291742.667	1086488.653	1676879.746	769747.5747	377713.7597	1251271.541	1092942.384	565811.8747	832817.8537	890575.6358	1016395.753	335077.626	182729.0259	573567.9119	657966.3596	701559.239	1297919.525	426987.977	240792.5955	470248.9145
Asn-Pro	3295571.474	2063752.024	2675019.375	3167842.648	2941456.798	1887563.931	2109532.887	2023792.326	2423356.527	2021491.955	1932193.513	2833964.241	2181710.205	2234871.181	2534527.047	1852638.341	3098987.089	2421414.99	2237750.807	2576768.817	1790634.266	2531263.422	2402749.314	1684966.826	2097041.178	3230341.282	1836307.604	2012840.48
Asparaginyl-Hydroxyproline	157335.9475	113068.3344	189518.8694	163488.5071	176133.2956	153163.1745	156868.1542	215640.3829	110966.2617	96283.44228	177227.1583	181111.756	136913.7678	151573.061	168155.8099	146405.9399	123408.4304	171888.2909	115184.0223	143564.383	134378.7767	122384.5873	134979.3511	109386.2902	269454.3251	237651.5307	146982.4475	133995.3249
Hydroxyprolyl-Asparagine	131686.2524	86213.2001	85651.2095	95057.12621	136504.405	90911.73513	97078.18139	82603.24963	139761.852	84777.39349	91827.30618	137467.4187	94565.20076	128095.3816	130753.9891	91955.81496	113249.885	91142.65198	101134.9322	124777.6306	104254.9506	122384.5873	134979.3511	76060.7031	86587.74491	156791.0936	110019.2854	107548.7898
Lycomarasmine B	70978.42058	58313.13821	50980.57493	66516.94606	50226.18022	66781.09238	53355.59117	62442.64728	56899.85621	54213.43289	52945.46737	55863.34852	82305.58732	70465.86622	57819.8917	75894.38553	70199.30287	52573.8819	62503.13236	50253.06041	66884.2067	58147.01579	69571.66188	54393.50617	62377.35158	54833.7605	73713.50746	54961.34995
Otonecine	548069.0897	1048297.01	849861.6157	643340.6575	1259947.789	1190973.075	1075386.573	896853.523	589623.1794	1131749.118	1005014.019	1151397.478	1154528.568	652232.9975	1172191.828	1433029.904	621428.7071	910853.7204	951686.125	1171252.535	1335212.981	877700.4762	645028.859	815303.3715	1073747.771	1264553.249	1274981.069	833043.3259
Thr-Pro	675559.9938	452122.2692	704370.149	388295.657	185918.9115	45772.50407	768201.6752	984305.8345	963508.0264	696544.8622	1133416.114	366498.3296	186926.2509	929994.441	534706.9162	259705.332	433476.3075	478169.4314	657473.7735	149859.0494	65398.73977	376670.1141	447621.3225	492650.9553	613604.9371	185807.3913	94232.36484	437428.9313
gamma-Glutamyl-Se-methylselenocysteine	153150.7157	111516.0598	138415.0814	182707.6402	203956.2259	356937.3647	95498.13693	129486.42	155311.825	123254.1581	131489.7905	199841.3961	396793.1837	163669.0973	250303.4873	399998.1331	143717.8428	82217.92488	149351.0698	245588.1697	463981.5531	96814.79575	167028.2878	110919.6741	122436.5719	240529.2048	442696.7786	102320.7604
Glu-Thr	882879.2687	476804.2661	447041.7231	822157.6879	972319.8762	833547.0905	413232.8015	613072.5429	838888.5857	607929.0505	671622.5488	1201892.257	778299.7122	929635.5148	1165230.323	697472.6358	850846.0574	418532.8048	630240.0149	894649.3268	692699.3945	455790.9729	853602.2795	600437.0663	614607.3634	977251.9523	760078.6782	683141.0556
Val-Asn	33239.04506	102329.5194	102003.8424	22053.38556	125976.624	152937.7861	92883.45247	115323.9836	28189.57232	127314.6672	96982.61135	119328.4276	117870.6552	37977.05921	126319.0877	147415.7542	23807.67171	101311.1125	110445.1064	147923.71	139624.8108	63165.5608	25348.68236	85499.92093	92744.61069	127307.6438	132918.5826	64755.0928
Ala-Ala-Ala	27819.47259	98390.96824	92339.55148	28156.88153	90781.89663	176772.6012	98815.29254	109089.3234	71277.61604	85240.0276	118840.8753	150216.7681	155253.5861	39719.7003	114972.8014	196845.5308	0	107804.3398	119818.9119	134916.915	202817.6223	36954.43655	0	102815.9165	95361.43333	117722.5294	174992.9715	86336.62066
Ala-Ser-Ser	168963.122	97682.63733	101840.6759	131131.6059	116308.1773	105863.1046	110115.331	82413.78113	135070.8638	89379.71226	69766.82238	99012.92288	85296.60157	174342.4298	106829.5061	98350.29361	128788.4929	88316.23489	86245.5894	118539.724	102720.5059	200359.6988	137320.3985	98442.48144	93178.50097	137634.9968	112585.8003	167717.3798
8-Amino-7-oxononanoate	5857945.264	4459460.358	4299552.313	6441740.173	16052351.51	15618146.05	4581433.022	3477962.701	5467560.545	3950928.601	4141958.292	16532738.86	15114959.13	6756412.783	17769521.74	13603646.58	5486877.412	4107846.901	4457390.273	17511786.62	13998725.25	6295299.901	6532160.894	4882964.612	4615766.834	19595008.14	14367375.7	5609695.394
O-Acetylcarnitine	42212048.91	61393329.85	60275883.43	46895868.46	84018690.87	77706046.86	56745059.12	49200458.77	41760288.5	52467817.12	51369633.43	55370422.81	81620779.31	58914058.23	47538388.43	81333971.61	43308810.49	65263723.03	53432826.66	53460779.48	77182160.84	38919841.21	45057097	58778819.32	46220439.63	56299090.56	69383911.9	34915085.68
Pantothenate	563264.4671	458888.6299	521811.9519	579957.3161	1611343.241	999132.5215	432495.5747	481014.269	574688.4486	483118.7793	483901.7379	1276528.843	1115667.536	658929.689	1325777.87	1082920.625	563740.3144	387281.3333	469852.2316	1459820.884	1172511.378	456198.4289	588262.2246	438944.8163	537707.1645	1375809.574	1284566.298	452534.668
Muramic acid	3691704.85	2647596.58	2643852.32	3629287.365	3125974.48	4549307.053	2396156.983	2769558.412	3439661.678	2624252.609	2585379.973	2917778.101	3737732.521	3778886.622	2778934.524	3600416.68	3434424.762	2603312.289	2543912.653	3104170.262	3400261.609	3175075.97	3360434.962	2724985.061	2969838.622	3170148.05	3774595.191	2856487.966
Neuraminic acid	142402.5894	130062.3059	119391.6721	136992.6031	122991.1214	208813.8674	151709.2626	126941.9822	163148.475	113382.5947	144662.7174	137817.8041	181869.0099	137681.6387	120825.5351	178628.7905	138633.5576	158674.4055	118272.0325	140844.9951	206157.4296	152859.6524	150713.0407	137206.2182	140379.2708	172041.7724	180426.6538	141452.969
Leu-Ala	3775391.883	4190801.429	3465318.049	3962790.103	4335209.731	9232401.607	3362453.299	3486253.643	3675833.856	3469287.985	3696571.196	3687642.011	8086503.136	4681358.243	4010552.534	7989443.229	3398454.025	3647317.196	4024950.894	4096314.414	9458598.143	4054563.074	4083122.883	3591872.61	3638071.775	4750766.221	9251188.253	4158678.114
N2-(D-1-Carboxyethyl)-L-lysine	609960.8604	374444.6806	553871.7406	610314.0972	664648.6388	464182.1199	446615.5495	600688.132	710029.5413	516267.2511	586180.1495	713693.573	519898.905	814819.3145	714314.8571	586297.059	563965.9266	445034.8999	542750.8265	831884.7878	421426.4215	502724.2825	735407.0165	495346.3211	592599.3863	859972.4469	543789.9705	614444.6659
Leu-Ser	58661.25951	67720.44512	77298.04867	71272.43487	112552.0125	65095.33159	60080.60336	51340.18601	55322.24072	78967.4761	54205.36741	87562.85989	74219.68644	56193.79283	87550.1181	65278.29473	71056.74122	65138.84706	70149.44403	87670.88994	77470.45301	138892.9429	63307.54344	97542.31799	67770.51985	95188.49852	57213.80839	125319.3321
2,6-Diamino-7-hydroxy-azelaic acid	52614.45324	73172.38345	73799.04055	59202.89862	70403.68722	77371.98541	63562.73985	61056.60383	44736.16924	56049.5137	60833.09733	69302.43425	86225.84681	52534.21317	69051.04084	62494.41688	46206.28053	59115.48773	56143.72199	71125.20472	81668.7109	65244.4492	48497.94084	72504.29761	59217.47463	55920.44833	62307.36065	49153.26675
N2-(D-1-Carboxyethyl)-L-arginine	326280.0485	352631.5876	452393.1777	322280.8044	564476.3727	555542.4559	372258.5857	409449.3285	348788.8629	383005.6685	471344.6049	660990.9695	514029.1995	334979.2849	500234.126	458600.0694	398410.024	396357.5447	506727.9911	700230.0548	432841.1523	331658.1934	298751.0866	406416.3681	439232.7969	645453.125	489376.6012	344137.6211
Lys-Ser	113605.5428	54325.53344	41305.94139	130283.1281	169419.7624	279085.3786	47317.4834	29172.83561	99012.62692	36218.06651	64535.50054	172317.448	269916.5636	127362.7634	167572.3786	289901.8735	89835.35871	35976.01389	50358.93611	184059.0993	279981.4098	71889.14791	106579.742	33743.19523	47989.59048	195871.4821	273559.8268	68147.78948
N6,N6,N6-Trimethyl-L-lysine	5308962.205	15369798.66	16976785.52	4540743.676	7582174.542	11694375.37	15336502.46	13487384.45	4551556.545	13247688.04	15317247.47	6854910.365	11185069.76	6145296.811	6688159.475	10868521.87	5342262.44	16548110.89	14955574.35	6920947.8	13242037.4	10509247.74	5414651.707	13952953.02	13505546.9	7823380.117	11493900.56	8850747.767
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	183291.2022	150320.0789	152852.1923	155366.7108	208069.086	204962.0085	208395.8008	127296.1349	170523.2272	188032.7653	150145.2803	181021.1199	193105.3052	198780.8986	201141.2326	194603.3358	185016.307	165524.1677	135214.8924	166509.0278	187631.7129	236583.9013	219529.4998	166813.956	131863.667	229034.0456	260908.0603	238925.8146
3-Methyleneoxindole	121950.0812	195687.1335	148027.1666	110340.8895	57325.28998	151155.8484	133072.5995	106443.9182	103042.2612	145056.7232	116158.1936	64892.72032	138412.9947	120526.0186	57227.28573	128236.5581	115939.6429	130176.2209	140573.6002	47680.84991	142578.9794	134179.5619	135270.7012	127805.9674	143268.4683	86185.35655	135597.6492	158047.8972
1(2H)-Isoquinolinone	125307.9098	128912.0263	129296.9024	119288.8894	123344.1023	151056.576	126432.9786	118118.1637	83746.59962	137165.9737	134248.1178	150277.8195	151980.6425	108376.329	110522.3271	166162.11	142475.8588	117058.9011	116954.9392	154857.9726	127367.8273	142453.4654	162423.6102	131113.7043	101210.9209	147823.8184	135583.5775	95071.74276

metabolite_name	retention time	mass	KEGG ID	HMDB ID	Lmid	InchiKEY
Inosine	10.89717342	268.0808168	C00294	HMDB00195		UGQMRVRMYYASKQ-KQYNXXCUSA-N
Adenosine	9.204766588	267.0965629	C00212	HMDB00050		OIRDTQYFTABQOQ-KQYNXXCUSA-N
Damascenine	4.926224327	195.0896593	C10588			ZRWJIZYZTLTXJI-UHFFFAOYSA-N
IDP	16.54384679	428.0135111	C00104	HMDB03335		JPXZQMKKFWMMGK-KQYNXXCUSA-N
AMP	13.61877066	347.062998	C00020	HMDB00045		UDMBCSSLTHHNCD-KQYNXXCUSA-N
ADP	14.82915333	427.0293619	C00008	HMDB01341		XTWYTFMLZFPYCI-KQYNXXCUSA-N
Glu-Pro	14.88087662	244.1059351
Homocarnosine	14.24710344	240.1222185	C00884	HMDB00745		CCLQKVKJOGVQLU-QMMMGPOBSA-N
Vicine	15.83080147	304.1022406	C08437			KGNGTSCIQCLKEH-SYCVNHKBSA-N
ATP	15.945648	506.9959671	C00002	HMDB00538		ZKHQWZAMYRWXGA-KQYNXXCUSA-N
(1R,4S)-fenchan-2-one	4.254111407	152.1200476			LMPR0102120031
Iridodial	4.2724299	168.1149528	C06069		LMPR0102070011	HMCYXRFNNOPPPR-UHFFFAOYSA-N
Biotin amide	10.59146698	243.1041422	C01893	HMDB01458		XFLVBMBRLSCJAI-ZKWXMUAHSA-N
Ala-Gly-Pro	12.44913613	243.1219003
Cys-Gly-Pro	10.5382157	275.0939804
Linatine	11.18332001	259.1169562	C05939			KWWHDNLMGLRNRN-NKWVEPMBSA-N
Glutathione	14.01938933	307.0836622	C00051	HMDB00125		RWSXRVCMGQZWBV-WDSKDSINSA-N
Ala-Asp-Ser	15.51505569	291.1066595
Asp-Ser-Ser	16.79793335	307.1014632
Tussilagine	10.47203501	199.1212296	C10411			LADVYSUMGRTFSZ-QXFUBDJGSA-N
2-Amino-9,10-epoxy-8-oxodecanoic acid	12.45040135	215.1157236	C12027		LMFA01060176	PFDHVDFPTKSEKN-JAVCKPHESA-N
Dethiobiotin	8.746824292	214.1315743	C01909	HMDB03581		AUTOLBMXDDTRRT-UHFFFAOYSA-N
Glu-Val	13.62467759	246.1213846
Leu-Asp	12.21844878	246.1215167
N-(L-Arginino)succinate	16.65861974	290.1227454	C03406	HMDB00052		KDZOASGQNOPSCU-WDSKDSINSA-N
Met-Ala-Gly	12.66090523	277.1096121
Met-Gln	12.30532096	277.1095229
Val-Gly-Ser	13.19961788	261.1328817
Lys-Asp	16.40287223	261.1324336		HMDB04987		OAMLVOVXNKILLQ-BQBZGAKWSA-N
Aspartylysine	18.05484993	261.1324421		HMDB04985		QGNYWQOMJSTUQZ-BQBZGAKWSA-N
Aspartyl-Arginine	18.1392633	289.1384466
Asp-Arg	16.44470739	289.1385758
Capryloylglycine	11.87286606	201.1365367		HMDB00832		SAVLIIGUQOSOEP-UHFFFAOYSA-N
O-Propanoylcarnitine	9.864238135	217.1314218	C03017	HMDB00824	LMFA07070005	UFAHZIUFPNSHSL-UHFFFAOYSA-N
L-Tryptophan	11.58739845	204.0899717	C00078	HMDB00929		QIVBCDIJIAJPQS-VIFPVBQESA-N
5-Hydroxytryptophan	10.81388644	220.0848255	C01017			LDCYZAJDBXYCGN-UHFFFAOYSA-N
Nicotinamide D-ribonucleotide	15.21272423	334.0567802	C00455	HMDB00229		DAYLJWODMCOQEW-TURQNECASA-N
5'-Methylthioadenosine	7.904016467	297.0894239	C00170	HMDB01173		WUUGFSXJNOTRMR-IOSLPCCCSA-N
beta-Citryl-L-glutamic acid	19.41549893	321.0695396		HMDB13220		GAQNUGISBQJMKO-YFKPBYRVSA-N
Methocarbamol	4.805879448	241.0950435
Pentylbenzene	4.235309088	148.1251404
N-Ribosylhistidine	15.28077538	287.1117618		HMDB02089		TTYCFBAOLXCFAB-VAPHQMJDSA-N
Ala-Asp-Asp	16.49780769	319.1020857
4,8-Dimethyl-1,3E,7-nonatriene	4.258775317	150.1407486			LMFA11000037	LUKZREJJLWEWQM-YRNVUSSQSA-N
Ophthalmicacid	13.25272554	289.1273979		HMDB05765		JCMUOFQHZLPHQP-BQBZGAKWSA-N
Glu-Ala-Ser	14.75843512	305.1223755
Ala-Asn-Asn	15.51101213	317.1329551
Mycosporine	12.05352572	261.1212643	C10607			VVTDHOIRNPCGTH-NSHDSACASA-N
Lotaustralin	12.85184863	261.1211995	C08334			WEWBWVMTOYUPHH-QHAQEBJBSA-N
O-Acetylneuraminic acid	14.70068214	309.1060085	C03525			BJOZNDRNJJZHPZ-LUWBGTNYSA-N
L-isoleucyl-L-proline	10.23213937	228.1474078		HMDB11174		BBIXOODYWPFNDT-UHFFFAOYSA-N
Leu-Pro	13.07816105	228.1473757		HMDB11175		VTJUNIYRYIAIHF-UHFFFAOYSA-N
Glu-Leu	10.8772202	260.1371856
CDP-ethanolamine	16.18115031	446.0611777	C00570	HMDB01564		WVIMUEUQJFPNDK-PEBGCTIMSA-N
Lys-Pro	15.22191357	243.1583156				AIXUQKMMBQJZCU-IUCAKERBSA-N
Leu-Cys-Gly	10.96728681	291.1252818
L-a-glutamyl-L-Lysine	11.50200237	275.148355		HMDB04207		BBBXWRGITSUJPB-YUMQZZPRSA-N
O-Butanoylcarnitine	8.955883965	231.147058	C02862	HMDB02013	LMFA07070003	QWYFHHGCZUCMBN-UHFFFAOYSA-N
Hydroxybutyrylcarnitine	11.42675092	247.1419585		HMDB13127
Lys-Val	21.84664552	245.1738678				YQAIUOWPSUOINN-UHFFFAOYSA-N
Indoleacrylicacid	8.799362312	187.0633057		HMDB00734		SXOUIMVOMIGLHO-AATRIKPKSA-N
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	13.20195162	218.0402938	C06721			OOOXLVUNFHBSNL-PRHODGIISA-N
Dihydroferuloylglycine	4.628048218	253.0949942
Thiamin	19.82360223	264.1044248	C00378	HMDB00235		JZRWCGZRTZMZEH-UHFFFAOYSA-N
Cerulenin	10.34381284	223.1208994	C12058			GVEZIHKRYBHEFX-NQQPLRFYSA-N
Glu-Asp-Cys	16.1198609	365.0889872
Slaframine	11.09766211	240.1474234	C06185			UQNSGOYQGBXKSN-MCIGGMRASA-N
Glu-Cys-Thr	12.16608489	351.1099694
S-(2-Hydroxyethyl)glutathione	12.75223498	351.1099337	C14875			UUZCUSQQEJSIHR-YUMQZZPRSA-N
Thr-Thr-Asp	15.88522256	335.1329374
Tiglylcarnitine	8.451530685	243.1471335		HMDB02366		WURBQCVBQNMUQT-RMKNXTFCSA-N
Avenic acid A	15.0790464	322.1376077
Ala-Ala-Ala-Ser	17.82970443	318.1538921
Ala-Thr-Ala-Gly	16.10424934	318.1538911
Asp-Gly-Arg	17.71628778	346.1599004
Lactose	16.1710811	342.1163418	C00243	HMDB00186		GUBGYTABKSRVRQ-XLOQQCSPSA-N
Lys-Asn-Gly	15.79574279	317.1696986
2-Methylbutyroylcarnitine	8.237172122	245.1627567		HMDB00378		IHCPDBBYTYJYIL-UHFFFAOYSA-N
Procollagen 5-(D-galactosyloxy)-L-lysine	16.61595174	324.152984	C05547	HMDB00600		RCPOVANIIKXVTB-YPPRVYOWSA-N
N2-Fructopyranosylarginine	17.4362556	336.1648367
dibenzothiophene-5-oxide	11.74704745	200.0297902				NGDPCAMPVQYGCW-UHFFFAOYSA-N
Formyl-N-acetyl-5-methoxykynurenamine	4.889342232	264.1111016	C05642	HMDB04259		JYWNYMJKURVPFH-UHFFFAOYSA-N
6,7-Dimethyl-8-(1-D-ribityl)lumazine	12.83679549	326.1225805	C04332	HMDB03826		SXDXRJZUAJBNFL-XKSSXDPKSA-N
Glu-Cys-Gly-Ser	17.11098877	394.1163516
Asp-Cys-Cys-Ser	16.82394777	426.0875839
Glu-Met-Ser	11.77856057	365.1256085
Ala-Thr-Ala-Ser	16.43132387	348.1645229
Lys-Thr-Ser	15.42279847	334.1856173
aeruginosin A	23.46737897	253.0852164				BYCCNAAWRIKPAF-OVCLIPMQSA-M
Hypaphorine	8.799594998	246.1367369	C09213			AOHCBEAZXHZMOR-ZDUSSCGKSA-N
N(alpha)-Benzyloxycarbonyl-L-leucine	8.434577247	265.1311014	C04335			USPFMEKVPDBMCG-LBPRGKRZSA-N
S-Adenosyl-L-homocysteine	13.58835583	384.1216926	C00021	HMDB00939		ZJUKTBDSGOFHSH-WFMPWKQPSA-N
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene	4.238269798	190.1721551			LMFA11000055	PEQDBIZKCMKPKU-VTCWLERASA-N
Ala-Thr-Ala-Asp	17.11800742	376.159544
FA (14:2) tetradecadienal	4.24816282	208.1827372			LMFA06000082	NGKCMQUFXPQZQW-AVQMFFATSA-N
N-Acetyllactosamine	13.734487	383.1429034	C00611	HMDB01542		KFEUJDWYNGMDBV-LODBTCKLSA-N
CMP-N-trimethyl-2-aminoethylphosphonate	14.30619832	472.1127358	C05674			RNUGPSIGKYHQNQ-OJAKKHQRSA-O
CDP-choline	15.23689825	488.1081066	C00307	HMDB01413		RZZPDXZPRHQOCG-OJAKKHQRSA-N
Asn-Lys-Gly-Gly	15.65371111	374.1919783
Lys-Thr-Thr	15.35455115	348.2009688
ADP ribose 1'',2''-phosphate	17.7209308	621.0274126		HMDB11671		NPSPRYXPOGPCPM-PNUFQSOHSA-N
S-Adenosyl-L-methionine	16.33806201	398.1372978	C00019	HMDB01185		MEFKEPWMEQBLKI-AIRLBKTGSA-N
Glu-Glu-Pro	16.58210048	373.1483257
Ala-Val-Asp-Ser	17.15356675	390.1745142
Leu-Lys-Ser	17.54332667	346.2212271
N-Butyl-beta-carboline-3-carboxylate	5.210639537	268.1211479	C13805			WGNGIELOOKACSB-UHFFFAOYSA-N
5-Nitro-2-(3-phenylpropylamino)benzoic acid	4.784420478	300.1109133	C13705			WBSMIPAMAXNXFS-UHFFFAOYSA-N
Trp-Cys-Gly	9.292102987	364.120334
Cys-Phe-Gly-Gly	10.75547865	382.1311678
IDP-D-mannose	16.61743608	590.066018				MDCWIRPAAZMRRI-HKYXEKDMSA-L
GDP-3,6-dideoxy-D-galactose	12.51271629	573.0878277	C05136			GRUFZTGABLSDFG-PHMHICHTSA-N
GDP-L-fucose	17.22486543	589.0826871	C00325	HMDB01095		LQEBEXMHBLQMDB-JGQUBWHWSA-N
GDP-mannose	17.8473822	605.0770698	C00096	HMDB01163		MVMSCBBUIHUTGJ-GDJBGNAASA-N
Glu-His-Val	10.92992158	383.1801696
Arg-Asp-Asp-Gly	17.76329998	461.186553
FA (16:2)	4.24347363	252.2088853			LMFA01030109	RVEKLXYYCHAMDF-AOSYACOCSA-N
Ala-Leu-Thr-Ala	14.55857235	374.2163394
Lauroyl diethanolamide	4.259736457	287.2460855
Hexadecasphinganine	7.066078778	273.2669848	C13915		LMSP01040001	ZKLREJQHRKUJHD-JKSUJKDBSA-N
Pro-Arg-His	26.18045967	408.2236401
Asn-Val-Asn-Asn	9.217606262	459.2074645
Leu-Lys-Pro	21.07170778	356.242288
Thr-Trp-Cys	15.44041334	408.1470671
Leu-Phe-Cys	8.782491458	381.1720635
Phe-Cys-Arg	14.30750149	424.1896104
Ovothiol disulfide	15.73588998	228.0807343
Linoleamide	4.665412838	279.2563822			LMFA08010008	SFIHQZFZMWZOJV-HZJYTTRNSA-N
[SP] Sphing-4-enine	4.979451805	299.2825269	C00319	HMDB00252	LMSP01010001	WWUZIQQURGPMPG-KRWOKUGFSA-N
Dehydrophytosphingosine	4.286873405	315.277523			LMSP01030002	CQKNELOTFUSOTP-HMTIOLNVSA-N
Ala-Glu-Glu-His	15.23254952	484.1924849
Asp-Met-Gln-Gln	14.14365907	520.1961223
Ala-Leu-Lys-Asp	13.35870278	445.2541791
CTAB	8.550444068	283.3241155	C11275			LZZYPRNAOMGNLH-UHFFFAOYSA-M
Camptothecin	12.98462454	348.1105026	C01897			VSJKWCGYPAHWDS-FQEVSTJZSA-N
Phe-Trp	9.780656588	351.1576756				JMCOUWKXLXDERB-SJLPKXTDSA-N
Kievitone hydrate	10.24772811	374.137172	C02549			QISUKJAAXYVLMA-UHFFFAOYSA-N
deacetylcolchicine	15.00231513	357.1570557	C16712			HFPMXDMZJUJZBX-AWEZNQCLSA-N
Glutathione disulfide	17.17779468	612.1514801	C00127	HMDB03337		YPZRWBKMTBYPTK-BJDJZHNGSA-N
Asn-Leu-Pro-Pro	10.88064982	439.2430763
Asn-Glu-Ile-Pro	12.35399521	471.2335147
Asp-Leu-Lys-Asp	13.89049689	489.2437136
Ala-Leu-Lys-Pro	20.84798	213.6397953
NAD+	14.09410466	331.5546826	C00003	HMDB00902		BAWFJGJZGIEFAR-NNYOXOHSSA-O
NADP+	16.50192011	743.0762459	C00006	HMDB00217		XJLXINKUBYWONI-NNYOXOHSSA-O
Cys-Leu-Cys-Tyr	9.854989455	500.1772235
FA oxo(21:0)	3.740577368	340.2983581			LMFA01060135	RNIWLIHFOSDVEB-UHFFFAOYSA-N
Tetradecanoylcarnitine	4.776921075	371.3033838		HMDB05066		PSHXNVGSVNEJBD-LJQANCHMSA-N
Corydaline	10.71740589	369.1933188	C15530			VRSRXLJTYQVOHC-YEJXKQKISA-N
Asp-Leu-Lys-Lys	22.04231217	251.1558167
trans-Hexadec-2-enoylcarnitine	4.757594785	397.3189813		HMDB06317		SOYNLLDADLOGAM-ISLYRVAYSA-N
O-Palmitoyl-R-carnitine	4.724683337	399.3348347	C02990	HMDB00222	LMFA07070004	XOMRRQXKHMYMOC-OAQYLSRUSA-N
LysoPE(18:0)	4.781627993	481.3168822		HMDB11129		KIHAGWUUUHJRMS-JOCHJYFZSA-N
Bis(2-ethylhexyl)phthalate	4.067762923	390.2769468	C03690			BJQHLKABXJIVAM-UHFFFAOYSA-N
LysoPC(16:1)	4.765278845	493.3173878
LysoPC(O-16:1)	4.732192453	479.3377886			LMGP01060029	PLQWZMJRHVARFU-NFPSEPLVSA-N
PE(19:0)	7.893605232	495.3327903			LMGP02050028	GEWUBFCXNZWHKH-HSZRJFAPSA-N
LysoPC(16:0)	4.76034734	495.3327985	C04230	HMDB10382	LMGP01050018	ASWBNKHCZGQVJV-HSZRJFAPSA-N
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine	4.777307293	481.3532468	C13903		LMGP01060012	VLBPIWYTPAXCFJ-UHFFFAOYSA-N
LysoPE(20:4)	4.644611532	501.2854023		HMDB11487		YWOCITMXHHTBAW-XSQXPFHXSA-N
Linoelaidylcarnitine	7.851325167	423.3346871		HMDB06461		MJLXQSQYKZWZCB-OKLKQMLOSA-N
O-9Z,12Z-Hexadecadienoyl-R-carnitine	4.657976	423.3349082			LMFA07070009
Elaidiccarnitine	7.844877547	425.3503852		HMDB06464		IPOLTUVFXFHAHI-OUKQBFOZSA-N
Oleoylcarnitine	4.626310303	425.3505398		HMDB05065
Stearoylcarnitine	4.602228637	427.3662206		HMDB00848	LMFA07070008	FNPHNLNTJNMAEE-UHFFFAOYSA-N
LysoPC(17:0)	7.887094672	509.3480875	C04230	HMDB12108	LMGP01050024	SRRQPVVYXBTRQK-XMMPIXPASA-N
LysoPE(20:0)	4.731034557	509.3486255		HMDB11511	LMGP02050012	HEQMDGOBDIGJOC-XMMPIXPASA-N
Lacto-N-tetraose	16.54048307	707.2477313	C06371	HMDB06566		AXQLFFDZXPOFPO-FSGZUBPKSA-N
[PC(18:3)]	4.747114668	517.3163195			LMGP01050037	MRTUWVDDQVMUCR-YOILPLPUSA-N
PC(18:2)	4.733137098	519.3328106			LMGP01050034	CLDXAAPENVNFAW-JRMAHNDFSA-N
PC(18:1)	7.885389098	521.3476943			LMGP01050029	ADOCFGYWKPSJCY-UPTOSOBMSA-N
LysoPC(18:1)	4.701810763	521.3483913			LMGP01050106	HEEMBWYZIJABCR-ZXAYODBVSA-N
PC(18:0)	7.891281457	523.3641296			LMGP01050077	IQGPMZRCLCCXAG-VWLOTQADSA-N
LysoPC(18:0)	4.674764232	523.3641437	C04230	HMDB10384	LMGP01050026	IHNKQIMGVNPMTC-RUZDIDTESA-N
LysoPC(O-18:0)	4.728526442	509.3848882
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol	5.082856557	382.3236395	C05107	HMDB03896	LMST01010121	RUSSPKPUXDSHNC-DDPQNLDTSA-N
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene	3.807858905	368.3444113			LMST03020618	FXKMDILIEQILCA-VDVRBEGSSA-N
Cholesta-5,7-dien-3beta-ol	5.166298577	384.3392383	C01164	HMDB00032	LMST01010069	UCTLRSWJYQTBFZ-DDPQNLDTSA-N
N-stearoyl tyrosine	4.597234783	447.3350628			LMFA08020100	YKWCFTGLODSOSB-VWLOTQADSA-N
LysoPC(20:4)	4.665005585	543.3325873	C04230	HMDB10395	LMGP01050048	LAXQYRRMGGEGOH-JXRLJXCWSA-N
LysoPC(20:3)	4.494538787	545.3477934	C04230	HMDB10394	LMGP01050133	BBNHCUBQEQJHIG-FZZJNMCHSA-N
LysoPC(20:0)	4.567679778	551.395605	C04230	HMDB10390	LMGP01050045	UATOAILWGVYRQS-HHHXNRCGSA-N
(24R,24'R)-Fucosterol epoxide	4.15835651	428.365814	C03910		LMST01040151	XUBCLKHKJZCPFZ-UMKPQZCOSA-N
Nebrosteroid M	4.025361735	446.3758972			LMST01031114	JXWWITGIOCSBLV-XQDHGAOQSA-N
Ethanolamine phosphate	15.85679039	141.0191258	C00346	HMDB00224		SUHOOTKUPISOBE-UHFFFAOYSA-N
Decanoyl-CoA	14.14639748	921.2493964	C05274	HMDB06404	LMFA07050022	CNKJPHSEFDPYDB-BOJFXZHGSA-N
CHAPS	5.694709033	614.3964259	C11321			UMCMPZBLKLEWAF-BCTGSCMUSA-N
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine	3.895430878	537.5127133	C00195	HMDB04949	LMSP02010004	YDNKGFDKKRUKPY-TURZORIXSA-N
PE(32:1)	3.772923235	689.4990954
PC(29:0)	7.260676227	691.5139262			LMGP01010968	KPRFWGHYCQLGIB-PGUFJCEWSA-N
PE(32:0)	3.784376038	691.5144214
SM(d32:1)	7.833887875	674.5358072			LMSP03010035	RPTUKVYGSPDHGQ-PSALXKTOSA-N
EPC(d35:1)	4.393939472	674.5360047
PC(30:0)	4.148780117	705.5300205			LMGP01010702	RFVFQQWKPSOBED-PSXMRANNSA-N
SM(d33:1)	7.830421905	688.5521232			LMSP03010037	CGMZWBZSOINWHL-YPDYIYJKSA-N
EPC(d36:1)	4.389887477	688.552484
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	3.715346232	602.5266671			LMGL02070004	QCHBHNNYXGOTCL-GXJVVETESA-N
PE(34:3)	3.751303222	713.4996852				LGHHSOARZMNIGJ-DFCPKGTFSA-N
SM(d34:2)	7.824899663	700.5516874			LMSP03010040	QQFVICUNTBNUKN-QQRIYSRRSA-N
EPC(d37:2)	4.351228672	700.5519033
N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine	4.9265393	702.5678892			LMSP03020010
SM(d34:1)	7.826173527	702.5675045			LMSP03010042	OQCPQFVKIYWGRP-GWQJGLRPSA-N
EPC(d37:1)	4.367003642	702.5676661
2-Aminoacrylate	15.52553299	87.03204097	C02218	HMDB03609		UQBOJOOOTLPNST-UHFFFAOYSA-N
Guanidinoacetate	15.69201454	117.0538747	C00581	HMDB00128		BPMFZUMJYQTVII-UHFFFAOYSA-N
L-Alanine	14.63309081	89.04769717	C00041	HMDB00161		QNAYBMKLOCPYGJ-REOHCLBHSA-N
L-Serine	15.67000052	105.0426337	C00065	HMDB00187		MTCFGRXMJLQNBG-REOHCLBHSA-N
Glycerone phosphate	15.12237688	169.9980728	C00111	HMDB01473		GNGACRATGGDKBX-UHFFFAOYSA-N
Trp-Trp-Tyr-Tyr	10.45306657	716.2952094
PS(34:1)	3.796179333	761.5208694				QRWCPZZFGKGUHF-FQGNUJBYSA-N
Cer(d40:2)	3.902863437	619.5900157			LMSP02010029	HILTUFAERVOALR-MQXYEJFFSA-N
PS(34:0)	3.741188885	763.534937				WZFUPCSEUKNOBF-AARKOHAPSA-N
PC(32:1)	4.142029218	731.5462324	C00157	HMDB07872	LMGP01010490	GMJKBBMXRYZKEP-WYRBGLKBSA-N
1-octadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine	6.909238912	733.5620933			LMGP01010739
1-tetradecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine	6.170831612	733.5621538			LMGP01010488
PC(32:0)	4.154319197	733.5622752				NRPOMZRRLOEOKX-KXQOOQHDSA-N
1,2-dihexadecanoyl-sn-glycero-3-phosphocholine	4.836709397	733.5621605			LMGP01080023
PE(35:0)	4.500616487	733.5621994			LMGP02010171	OUNAKUJUDICZMA-KXQOOQHDSA-N
EPC(d38:1)	4.387534243	716.5835727
SM(d35:1)	7.81668034	716.5838663			LMSP03010044	YMQZQHIESOAPQH-JXGHDCMNSA-N
PE(P-36:4)	3.987427913	723.5200336	C00350	HMDB09150		XLBRCASDZDRYLA-FWMGDSTOSA-N
PE(36:4)	4.004021818	739.5142034				KUPNWZACJRZMJD-SIOSMUJOSA-N
PE(P-36:2)	4.092279245	727.5529941	C00350	HMDB09050		BIYXBOGKCFGRKR-NZWMGPRYSA-N
PI(32:0)	7.238848897	810.5272207				IBUKXRINTKQBRQ-NBURIUCMSA-N
SM(d36:2)	7.813656972	728.5839148			LMSP03010048	YTBRKOHFRDWGKO-XZNYDZQTSA-N
SM(d36:1)	7.81226048	730.5990621	C00550	HMDB12089	LMSP03010031	XYLWKHKCYHMVMA-RVPJYPCXSA-O
EPC(d39:1)	4.38125587	730.5995649
PS(36:4)	3.777454895	783.5053164				ZTNFQEXYTMNFHG-SOFXVBFTSA-N
PS(18:0/18:1(9Z))	7.365858163	789.5509866	C02737	HMDB10163	LMGP03010025	AJFWREUFUPEYII-PAHWMLEVSA-N
PE(37:2)	4.473737177	757.561961			LMGP02010553	QCYCLEPIRIFTQA-YIHXYWFXSA-N
1-(9Z-hexadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	6.030489208	757.5619715			LMGP01010688
PC(34:2)	4.106832722	757.5620719			LMGP01020033	PXPSGTINXJQLBR-VQJSHJPSSA-N
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine	3.899286065	647.6213131	C00195	HMDB04953	LMSP02010009	VJSBNBBOSZJDKB-KPEYJIHVSA-N
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine	5.327621022	759.5771546			LMGP01010884
PE(15:0/22:1(13Z))	6.466560483	759.5771079	C00350	HMDB08908		MUWFEEOSXPAQIY-LQOXNGKESA-N
1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine	6.007129295	759.5771678			LMGP01012146
PC(34:1)	4.116317675	759.5770114
PE(37:1)	4.7893691	759.5771161			LMGP02010552	FJJABKKCKHMFRD-QCFYSATCSA-N
SM(d37:1)	7.794027215	744.6151874			LMSP03010055	HAFQHLHNPJDAGB-MAJDXUCPSA-N
PE(38:6)	3.948640408	763.5142786
PE(P-38:5)	3.959698885	749.5354166	C00350	HMDB09447		IQSPCSIULMCRPM-ZAJUHDLGSA-N
PE(O-38:5)	3.952079287	751.5513509	C00350	HMDB05779	LMGP02030003	URPXXNCTXCOATD-FXMFQVEGSA-N
PI(34:1)	7.174279103	836.5406235
PI(34:0)	7.18137659	838.5571064				AWOYEONIQYBDHZ-HGTJTCKHSA-N
PE(38:1)	4.093863358	773.5923474				VDNXNFMAFDYQSI-JHWHEROUSA-N
SM(d38:2)	7.795855903	756.6144153			LMSP03010058	KPTCFDRXDCXXSG-GKAOGSCXSA-N
SM(d16:1/22:1)	4.320703815	756.6145118			LMSP03010058	KPTCFDRXDCXXSG-GKAOGSCXSA-N
SM(d38:1)	7.794710683	758.6294671	C00550	HMDB12102	LMSP03010005	AADLTHQNYQJHQV-SVLGDMRNSA-O
PS(38:6)	3.764900567	807.5056983				PWBBJQOVCTWPIM-FAYDGCQZSA-N
PS(38:5)	3.760293003	809.5215897				MGPMTJBAWDIKQN-GIVBSXOZSA-N
PS(38:4)	3.782242732	811.5370276				IULWELDCBXQXED-DWOSIAKHSA-N
PE(39:3)	4.54598026	783.5769097			LMGP02010732	LSOARDSVKKIZPU-BNSBBXAHSA-N
PC(36:3)	4.065546192	783.5769524				SRIGHEHXEGELQJ-YYQUKWHJSA-N
1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	5.985964017	785.5922552			LMGP01012148
1-(9Z-tetradecenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine	5.255005528	785.5922978			LMGP01012133
PC(36:2)	4.072960667	785.592752			LMGP01040060	RXVOSONMLRHQRN-UNGCUCNDSA-N
PE(39:2)	4.605825553	785.5923272			LMGP02010813	SEHASXPRKLRHPR-VZDDXLEPSA-N
SM(d18:2/21:0)	7.78471893	770.6302857			LMSP03010064	SDUGEKJCGFHJRC-IYXZHQORSA-N
SM(d39:1)	7.780156152	772.6459057			LMSP03010065	DZDNLWWCTCDASI-QVDCKBILSA-N
PE(P-40:6)	3.899725872	775.5501633		HMDB11425		FTSKHGJWLNUZOB-RCWWZEBWSA-N
PE(P-40:5)	3.912608837	777.5676672			LMGP02030086	CVCZYWPCMUWTNS-IXKBFPPMSA-N
SM(d40:3)	7.779992977	782.6301447
SM(d40:2)	7.778703623	784.6464659			LMSP03010071	FOULCGVQZYQEQM-DNXGLLHMSA-N
SM(d18:1/22:1(13Z))	4.331660502	784.6469609	C00550	HMDB12104		VBFKEZGCUWHGSK-ADSSWVSQSA-O
SM(d40:1)	7.774349165	786.6617222	C00550	HMDB12103	LMSP03010006	FJJANLYCZUNFSE-TWKUQIQBSA-O
SM(d18:1/22:0)	4.495957375	786.6622706	C00550	HMDB12103	LMSP03010006	FJJANLYCZUNFSE-TWKUQIQBSA-O
PS(40:6)	3.76318192	835.5361249
PC(38:6)	3.999797773	805.5626732
PC(38:5)	4.009628195	807.5771937
PC(38:4)	4.009867613	809.5931931
SM(d41:2)	7.765800602	798.6623617
SM(d41:1)	7.755021727	800.6772469			LMSP03010076	LQSSZIQDYCHSLD-NMIJJABPSA-N
SM(d42:3)	7.760581412	810.6622037			LMSP03010080	TXFLWJQVQCDUDZ-BRUGZULGSA-N
SM(d18:2/24:1)	4.296751203	810.6629367			LMSP03010080	TXFLWJQVQCDUDZ-BRUGZULGSA-N
SM(d42:2)	4.770858598	812.6778156
SM(d18:1/24:1(15Z))	4.36419213	812.6778363	C00550	HMDB12107	LMSP03010007	WKZHECFHXLTOLJ-QYKFWSDSSA-O
SM(d18:2/24:0)	7.119578873	812.6778292			LMSP03010081	DACOGJMBYLZYDH-GXJPFUDISA-N
SM(d42:1)	7.760811832	814.6916908
SM(d18:0/24:1(15Z))	4.556097063	814.6913662	C00550	HMDB12095		XZBDYCJQWJNNJB-CFLZVKAOSA-O
PC(40:7)	3.987809767	831.5781585				ZEAKXAXFIRHBSN-WDYLLCCDSA-N
PC(40:6)	3.968890778	833.5940265				FAUYAENFVCNTAL-PFFNLMTBSA-N
SM(d43:2)	7.738467083	826.6938414			LMSP03010082	MFOZKYNROBQPRM-VKGJADIPSA-N
SM(d43:1)	7.734099192	828.7099408			LMSP03010085	LXMARZYBSFYVSY-KUQVZNNZSA-N
SM(d44:2)	7.722328293	840.7081043
Phosphocreatine	14.96941233	211.0358909	C02305	HMDB01511		DRBBFCLWYRJSJZ-UHFFFAOYSA-N
4-Hydroxy-2-butynal	11.0491371	84.02118191	C02648			QAPQYLWHUDXNHY-UHFFFAOYSA-N
3-Butynoate	14.14945379	84.02109601	C06144			KKAHGSQLSTUDAV-UHFFFAOYSA-N
Maleamate	14.90686888	115.0269978	C01596			FSQQTNAZHBEJLS-UPHRSURJSA-N
1,4-Lactone	13.93512581	86.03673963	C01770	HMDB00549	LMFA07040004	YEJRWHAVMIAJKC-UHFFFAOYSA-N
Creatinine	9.784739252	113.0589331	C00791	HMDB00562		DDRJAANPRJIHGJ-UHFFFAOYSA-N
L-Asparagine	15.19084847	132.0534942	C00152	HMDB00168		DCXYFEDJOCDNAF-REOHCLBHSA-N
Creatine	14.58536828	131.0694227	C00300	HMDB00064		CVSVTCORWBXHQV-UHFFFAOYSA-N
4-Aminobutanal	10.41320827	87.06835712	C00555	HMDB01080		DZQLQEYLEYWJIB-UHFFFAOYSA-N
N,N-Dimethylglycine	12.10049311	103.0633455	C01026	HMDB00092		FFDGPVCHZBVARC-UHFFFAOYSA-N
L-Threonine	14.35104508	119.058274	C00188	HMDB00167		AYFVYJQAPQTCCC-GBXIJSLDSA-N
methiin	10.45727945	151.0301311				ZZLHPCSGGOGHFW-UHFFFAOYSA-N
D-Erythrose 4-phosphate	12.54415723	200.0086893	C00279	HMDB01321		NGHMDNPXVRFFGS-UHFFFAOYSA-N
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole	10.46091459	98.08447439
L-Glutamine	14.98098242	146.0690912	C00064	HMDB00641		ZDXPYRJPNDTMRX-VKHMYHEASA-N
Glycyl-Cysteine	14.12524646	178.0411767
Arsenobetaine	11.14942279	177.9975337
Betaine aldehyde	11.07625416	101.0839974	C00576	HMDB01252		SXKNCCSPZDCRFD-UHFFFAOYSA-N
L-Valine	12.44450797	117.0790004	C00183	HMDB00883		KZSNJWFQEVHDMF-BYPYZUCNSA-N
Betaine	11.29943615	117.0789799	C00719	HMDB00043		KWIUHFFTVRNATP-UHFFFAOYSA-N
L-Methionine	11.5265941	149.051058	C00073	HMDB00696		FFEARJCKVFRZRR-BYPYZUCNSA-N
1-deoxyxylonojirimycin	16.21397841	133.0738888				RMCNETIHECSPMZ-UHFFFAOYSA-O
L-Methionine S-oxide	13.2929773	165.0461901	C02989	HMDB02005		QEFRNWWLZKMPFJ-YGVKFDHGSA-N
4-amino-4-deoxy-L-arabinose	15.58969045	149.0688387				OEVMNXDFKAZCIM-KLVWXMOXSA-O
L-Ornithine	21.81985555	132.0898898	C00077	HMDB00214		AHLPHDHHMVZTML-BYPYZUCNSA-N
Ribitol	12.90215146	152.0685062	C00474	HMDB00508		HEBKCHPVOIAQTA-UHFFFAOYSA-N
Choline	19.4835525	103.0997244	C00114	HMDB00097		OEYIOHPDSNJKLS-UHFFFAOYSA-N
Choline phosphate	14.91358273	183.0661	C00588	HMDB01565		YHHSONZFOIEMCP-UHFFFAOYSA-O
sn-glycero-3-Phosphoethanolamine	15.55225457	215.05588	C01233	HMDB00114		JZNWSCPGTDBMEW-RXMQYKEDSA-N
Hypoxanthine	10.19028957	136.038476	C00262	HMDB00157		FDGQSTZJBFJUBT-UHFFFAOYSA-N
Furfural	13.81724723	96.02127303	C14279			HYBBIBNJHNGZAN-UHFFFAOYSA-N
2-Furoate	12.36674162	112.0160506	C01546	HMDB00617		SMNDYUVBFMFKNZ-UHFFFAOYSA-N
Adenine	9.67180506	135.0544879	C00147	HMDB00034		GFFGJBXGBJISGV-UHFFFAOYSA-N
2-Hydroxyadenine	12.30442475	151.0494709		HMDB00403		DRAVOWXCEBXPTN-UHFFFAOYSA-N
2-Furanmethanol	12.64781777	98.03674876
[FA (5:2)] 2,4-pentadienoic acid	13.94737879	98.03675602			LMFA01030099	SDVVLIIVFBKBMG-ONEGZZNKSA-N
1-Pyrroline-2-carboxylate	8.253210005	113.0476305	C03564	HMDB06875		RHTAIKJZSXNELN-UHFFFAOYSA-N
(S)-1-Pyrroline-5-carboxylate	15.86420084	113.0476534	C03912	HMDB01301		DWAKNKKXGALPNW-BYPYZUCNSA-N
5,6-Dihydrothymine	14.75715932	128.0585597	C00906	HMDB00079		NBAKTGXDIBVZOO-UHFFFAOYSA-N
N-Carbamoyl-L-aspartate	16.35855535	176.0431527	C00438	HMDB00828		HLKXYZVTANABHZ-REOHCLBHSA-N
L-Proline	12.77877199	115.063339	C00148	HMDB00162		ONIBWKKTOPOVIA-BYPYZUCNSA-N
L-Glutamate 5-semialdehyde	14.37132113	131.0583576	C01165	HMDB02104		KABXUUFDPUOJMW-BYPYZUCNSA-N
L-Glutamate	14.48843751	147.0531412	C00025	HMDB00148		WHUUTDBJXJRKMK-VKHMYHEASA-N
Ganglioside GA1 (d18:1/24:1(15Z))	7.951760682	668.4304272	C06136	HMDB04906		HVSCPOORNCFFOM-FLSKXLKNSA-N
Ectoine	12.95132332	142.0742114	C06231			WQXNXVUDBPYKBA-YFKPBYRVSA-N
Asp-Gly	15.2406052	190.0590451				JHFNSBBHKSZXKB-VKHMYHEASA-N
3-Ethylmalate	12.43200698	162.0528524	C01989			JUCRENBZZQKFGK-UHFFFAOYSA-N
5-Guanidino-2-oxopentanoate	14.13761422	173.0800977	C03771	HMDB04225		ARBHXJXXVVHMET-UHFFFAOYSA-N
L-Pipecolate	12.41027807	129.0789751	C00408	HMDB00716		HXEACLLIILLPRG-YFKPBYRVSA-N
(R)-piperidine-3-carboxylate	21.33560512	129.078958
N4-Acetylaminobutanal	7.931673825	129.0788987	C05936	HMDB04226		DDSLGZOYEPKPSJ-UHFFFAOYSA-N
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid	12.42810877	145.0739202	C03656	HMDB12131	LMFA01060173	FAASBXNEOGMQHS-BYPYZUCNSA-N
6-Amino-2-oxohexanoate	14.19076686	145.0738506	C03239	HMDB12151		GWENQMVPLJAMAE-UHFFFAOYSA-N
N-Formyl-L-methionine	8.132199542	177.0459303	C03145	HMDB01015		PYUSHNKNPOHWEZ-YFKPBYRVSA-N
L-2-Aminoadipate	14.69710848	161.0689054	C00956	HMDB00510	LMFA01170098	OYIFNHCXNCRBQI-BYPYZUCNSA-N
4-Methyl-L-glutamate	11.06964558	161.0688051	C06234			KRKRAOXTGDJWNI-BKLSDQPFSA-N
gamma-thiomethyl glutamate	10.9405517	193.0409515
3-propylphosphoenolpyruvate	21.84074222	210.0293109
6-deoxy-5-ketofructose-1-phosphate	14.95313308	242.019151
D-myo-Inositol 1,2-cyclic phosphate	16.38953479	242.0191866	C04299	HMDB01125		SXHMVNXROAUURW-FTYOSCRSSA-N
L-Citrulline	15.84424091	175.0956973	C00327	HMDB00904		RHGKLRLOHDJJDR-BYPYZUCNSA-N
L-Leucine	11.26029715	131.0946194	C00123	HMDB00687		ROHFNLRQFUQHCH-YFKPBYRVSA-N
L-Isoleucine	10.87172231	131.0946193	C00407	HMDB00172	LMFA01100047	AGPKZVBTJJNPAG-WHFBIAKZSA-N
N-hydroxyisoleucine	12.15473696	147.0895172				YEGAKLYOVHUQIJ-UHFFFAOYSA-M
Deoxymannojirimycin	15.7719323	163.0844214	C10141			LXBIFEVIBLOUGU-KVTDHHQDSA-N
D-Glucosamine	16.37616235	179.0794448	C00329	HMDB01514		MSWZFWKMSRAUBD-IVMDWMLBSA-N
D-Glucose oxime	11.7547186	195.0744417	C02264			FQDOAQMGAIINEJ-LJVFLWCUSA-N
2-Amino-2-deoxy-D-gluconate	16.96120892	195.0744459	C03752			UFYKDFXCZBTLOO-UHFFFAOYSA-N
D-Mannose 6-phosphate	16.04931444	260.0297572	C00275	HMDB01078		NBSCHQHZLSJFNQ-QTVWNMPRSA-N
N-Acetylputrescine	10.4397626	130.1105691	C02714	HMDB02064		KLZGKIDSEJWEDW-UHFFFAOYSA-N
epsilon-aminocaproamide	18.49655145	130.1106402
L-Lysine	22.55247272	146.105531	C00047	HMDB00182		KDXKERNSBIXSRK-YFKPBYRVSA-N
L-Arginine	23.46737275	174.1116707	C00062	HMDB00517		ODKSFYDXXFIFQN-BYPYZUCNSA-N
glycerophosphoserine	12.02932049	259.0459469				ZWZWYGMENQVNFU-AKGZTFGVSA-N
alpha-D-Glucosamine 1-phosphate	15.50356489	259.0459087	C06156	HMDB01109		YMJBYRVFGYXULK-QZABAPFNSA-N
3-deoxy-D-galactose	12.19299889	166.0841437				RUIACMUVCHMOMF-HSUXUTPPSA-N
Picolinamide	14.08565605	122.047909	C01950			IBBMAWULFFBRKK-UHFFFAOYSA-N
Nicotinamide	7.933079608	122.0479969	C00153	HMDB01406		DFPAKSUCGFBDDF-UHFFFAOYSA-N
1-Methylhypoxanthine	9.290373292	150.0540782		HMDB13141		KIQMCGMHGVXDFW-UHFFFAOYSA-N
N-Ethylmaleimide	12.22339132	125.0477018	C02441			HDFGOPSGAURCEO-UHFFFAOYSA-N
4-Imidazolone-5-propanoate	10.87620717	156.0534702	C03680	HMDB01014		HEXMLHKQVUFYME-UHFFFAOYSA-N
2,3-Dimethylmaleate	13.55466401	144.0422829	C00922			CGBYBGVMDAPUIH-ARJAWSKDSA-N
Methylitaconate	14.3179744	144.0423093	C02295			IZFHMLDRUVYBGK-UHFFFAOYSA-N
L-Histidine	14.52120752	155.0694875	C00135	HMDB00177		HNDVDQJCIGZPNO-YFKPBYRVSA-N
a Cysteine adduct	14.74751649	191.0254071
N(pi)-Methyl-L-histidine	12.41749967	169.0850994	C01152	HMDB00001		JDHILDINMRGULE-LURJTMIESA-N
6-methyltetrahydropterin	10.18670623	181.0963674		HMDB02249		HWOZEJJVUCALGB-UHFFFAOYSA-N
S-Cysteinosuccinic acid	16.90267667	237.0308428
Asp-Ser	15.45152065	220.069532
4-(Trimethylammonio)but-2-enoate	10.73416537	143.0946337	C04114			GUYHPGUANSLONG-SNAWJCMRSA-N
5-Acetamidopentanoate	12.29466846	159.0895711	C03087	HMDB12175		TZZSWAXSIGWXOS-UHFFFAOYSA-N
Calystegine C1	12.65333843	191.0794735
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	12.01110746	191.0794493
beta-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	15.95216543	272.0298608
Val-Gly	13.48539733	174.1003995				IOUPEELXVYPCPG-ZCFIWIBFSA-N
LL-2,6-Diaminoheptanedioate	17.23609415	190.0953897	C00666	HMDB01370	LMFA01170102	GMKMEZVLHJARHF-WHFBIAKZSA-N
meso-2,6-Diaminoheptanedioate	14.15787537	190.0954014	C00680			GMKMEZVLHJARHF-SYDPRGILSA-N
Thr-Ala	11.89506905	190.0954092				VPZKQTYZIVOJDV-VPENINKCSA-N
L-Homocitrulline	15.13566088	189.1114725	C02427	HMDB00679		XIGSAGMEBXLVJJ-YFKPBYRVSA-N
4-Trimethylammoniobutanoate	13.344984	145.1102819	C01181	HMDB01161		JHPNVNIEXXLNTR-UHFFFAOYSA-O
L-Carnitine	13.27170502	161.1051678	C00487	HMDB00062		PHIQHXFUZVPYII-UHFFFAOYSA-O
N-Methyl-1-deoxynojirimycin	13.38833077	177.1001751
Putreanine	22.04563773	160.1211054
4-Aminobenzoate	11.99115435	137.0476802	C00568	HMDB01392		ALYNCZNDIQEVRV-UHFFFAOYSA-N
Pyridoxine	8.276119292	169.0738826	C00314	HMDB00239		LXNHXLLTXMVWPM-UHFFFAOYSA-N
Norepinephrinesulfate	18.4180317	249.0307413		HMDB02062		CVJMZWLHUCMEKO-ZETCQYMHSA-N
Asn-Asp	15.52332878	247.0805415
Crotanecine	13.76154687	171.0894896	C10284			VMWCRDCGNVMCGJ-BWZBUEFSSA-N
2-acetamidoglucal	7.98148109	203.0795187				LKFJQOCOGNNTCY-UHFFFAOYSA-N
N2-Acetyl-L-aminoadipate	12.17149945	203.0794451	C12986			FTTGAAZKBNZDCZ-LURJTMIESA-N
Ala-Pro	11.32882542	186.1006112				WPWUFUBLGADILS-WDSKDSINSA-N
6-Acetyl-D-glucose	14.14201832	222.0740242	C02655			ILLOJQCWUBEHBA-JAJWTYFOSA-N
N-Acetyl-L-citrulline	12.91249468	217.106104	C15532	HMDB00856		WMQMIOYQXNRROC-LURJTMIESA-N
Homostachydrine	10.10387398	157.1102105	C08283			XULZWQRXYTVUTE-ZETCQYMHSA-N
N-Acetyl-L-leucine	11.79047677	173.1052484	C02710	HMDB11756		WXNXCEHXYPACJF-ZETCQYMHSA-N
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	10.98918502	189.1001952	C06326			AMDDRMIFTJHJGD-RITPCOANSA-N
N-Acetyl-D-mannosamine	12.23208667	221.0899638	C00645	HMDB11744		OVRNDRQMDRJTHS-ZTVVOAFPSA-N
N-Glycolyl-D-mannosamine	16.06248968	237.084809	C03521			KSWRTSFNOKOHBE-BIAPBZAGSA-N
Leucyl-Glycine	12.13218069	188.1161738
Val-Ala	13.60670716	188.1161115
Val-Ser	11.86466258	204.1108919				STTYIMSDIYISRG-UHFFFAOYSA-N
Thr-Thr	13.04650743	220.1060612
Methacholine	13.35234466	159.1259482	C07471			NZWOPGCLSHLLPA-UHFFFAOYSA-N
N-acetyl -D- glucosaminitol	13.20705175	223.1055439				DWAICOVNOFPYLS-LXGUWJNJSA-N
Ne,Ne dimethyllysine	20.99131217	174.1368211	C05545	HMDB13287
NG,NG-Dimethyl-L-arginine	21.0415722	202.1429999	C03626	HMDB01539		YDGMGEXADBMOMJ-LURJTMIESA-N
N-Gluconyl ethanolamine phosphate	14.64329664	319.0669113
D-erythro-D-galacto-octitol	15.50716859	242.1002918
Octylamine	14.45060204	129.1518357	C01740			IOQPZZOEVPZRBK-UHFFFAOYSA-N
sn-glycero-3-Phosphocholine	14.4288494	257.1025362	C00670	HMDB00086		SUHOQUVVVLNYQR-MRVPVSSYSA-O
4-Nitroacetophenone	5.029791308	165.0426163	C02803			YQYGPGKTNQNXMH-UHFFFAOYSA-N
Pyridoxal	8.162486477	167.0582356	C00250	HMDB01545		RADKZDMFGJYCBB-UHFFFAOYSA-N
L-Phenylalanine	10.24785941	165.078993	C00079	HMDB00159		COLNVLDHVKWLRT-QMMMGPOBSA-N
L-Tyrosine	12.91742684	181.0739413	C00082	HMDB00158		OUYCCCASQSFEME-QMMMGPOBSA-N
N-Hydroxy-L-tyrosine	7.913026907	197.0689542	C03004			CNIUEVQJABPUIJ-QMMMGPOBSA-N
Cumene	4.244050825	120.0938159	C14396			RWGFKTVRMDUZSP-UHFFFAOYSA-N
gamma-Glutamyl-beta-cyanoalanine	13.65306813	243.0854567	C05711			QUAADUAOVLZBJM-UHFFFAOYSA-N
Dihydrobiopterin	9.574775913	239.1022813	C00268	HMDB02215		ZHQJVZLJDXWFFX-RPDRRWSUSA-N
UDP	16.03592668	404.0022548	C00015	HMDB00295		XCCTYIAWTASOJW-XVFCMESISA-N
5-6-Dihydrouridine	10.3356564	246.0853243		HMDB00497		ZPTBLXKRQACLCR-XVFCMESISA-N
Glu-Asp	16.81852077	262.080285
dCMP	15.17101621	307.0569714	C00239	HMDB01202		NCMVOABPESMRCP-SHYZEUOFSA-N
CMP	16.1789887	323.0521492	C00055	HMDB00095		IERHLVCPSMICTF-XVFCMESISA-N
Hercynine	12.26498665	197.1165173	C05575			GPPYTCRVKHULJH-QMMMGPOBSA-O
Ergothioneine	14.74797743	229.0884579	C05570	HMDB03045		SSISHJJTAXXQAX-ZETCQYMHSA-O
Methyl 2-diazoacetamidohexonate	14.15392946	213.1113697	C01223			OZHCMJTXDLRZPF-ZETCQYMHSA-O
Gly-Gly-Pro	13.14654176	229.1061991
Asn-Pro	13.68562324	229.1062223
Asparaginyl-Hydroxyproline	13.39410513	245.101057
Hydroxyprolyl-Asparagine	12.5024761	245.1010356
Lycomarasmine B	15.62761103	277.0911601	C08496			YRSDOJQPYZOCMY-ROLXFIACSA-N
Otonecine	11.15557055	185.1052869	C10356			GRAGROPQORVALZ-VKWJFSHESA-N
Thr-Pro	11.40169526	216.1109771
gamma-Glutamyl-Se-methylselenocysteine	15.98593939	312.0220515	C05695	HMDB10716		IEFQLTYCECVOLL-UHFFFAOYSA-N
Glu-Thr	14.60755497	248.1008384
Val-Asn	13.63631613	231.1219054
Ala-Ala-Ala	12.88574369	231.1217164
Ala-Ser-Ser	15.21979886	263.1118897
8-Amino-7-oxononanoate	11.82074446	187.1209301	C01092		LMFA01060168	GUAHPAJOXVYFON-UHFFFAOYSA-N
O-Acetylcarnitine	11.05344604	203.1157734	C02571	HMDB00201		RDHQFKQIGNGIED-MRVPVSSYSA-O
Pantothenate	8.597347355	219.1107604	C00864	HMDB00210		GHOKWGTUZJEAQD-ZETCQYMHSA-N
Muramic acid	14.33615689	251.1005036	C06470	HMDB03254		MSFSPUZXLOGKHJ-PGYHGBPZSA-N
Neuraminic acid	16.7678511	267.0954528	C06469	HMDB00830		CERZMXAJYMMUDR-QBTAGHCHSA-N
Leu-Ala	12.78563898	202.131797				HSQGMTRYSIHDAC-UHFFFAOYSA-N
N2-(D-1-Carboxyethyl)-L-lysine	17.10128785	218.1266762	C04020			ZZYYVZYAZCMNPG-RQJHMYQMSA-N
Leu-Ser	13.02054521	218.1267952
2,6-Diamino-7-hydroxy-azelaic acid	17.77060553	234.1214764	C12025			XMYUTJGBCFJNFF-UHFFFAOYSA-N
N2-(D-1-Carboxyethyl)-L-arginine	17.12071002	246.1329101	C04137			IMXSCCDUAFEIOE-GDVGLLTNSA-N
Lys-Ser	12.96680116	233.137521
N6,N6,N6-Trimethyl-L-lysine	21.33891562	188.1525272	C03793	HMDB01325		MXNRLFUSFKVQSK-QMMMGPOBSA-N
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	19.87219555	204.1473629	C01259	HMDB01422		ZRJHLGYVUCPZNH-MQWKRIRWSA-O
3-Methyleneoxindole	8.796351742	145.0525438	C02796			IGXUUWYVUGBMFT-UHFFFAOYSA-N
1(2H)-Isoquinolinone	11.58912666	145.0527059	C06324			VDBNYAPERZTOOF-UHFFFAOYSA-N