metabolite_name	QC1	QC2	QC3	QC4	QC5	H99-iron-6h_A	H99-iron-6h_B	H99-iron-6h_C	H99-iron-6h_D	H99-iron-20Pi-6h_A	H99-iron-20Pi-6h_B	H99-iron-20Pi-6h_C	H99-iron-20Pi-6h_D	H99-iron-24h_A	H99-iron-24h_B	H99-iron-24h_C	H99-iron-24h_D	H99-iron-20Pi-24h_A	H99-iron-20Pi-24h_B	H99-iron-20Pi-24h_C	H99-iron-20Pi-24h_D	H99-no iron-6h_A	H99-no iron-6h_B	H99-no iron-6h_C	H99-no iron-6h_D	H99-no iron-20Pi-6h_A	H99-no iron-20Pi-6h_B	H99-no iron-20Pi-6h_C	H99-no iron-20Pi-6h_D
1-Heneicosanoyl-glycero-3-phosphoserine	1166.034966	923.6103827	736.1851757	592.3220774	607.0969734	742.4394221	838.8702827	886.7558265	1026.134898	565.6669647	214.0298743	666.9270207	251.1099929	1872.763859	717.1188589	729.7918226	1692.746341	831.2997217	260.2084067	231.4701726	900.5012146	1279.199204	853.0360211	924.6650822	613.9882333	337.9921134	283.8048613	693.3736367	454.9332489
5'-N-Methylcarboxamidoadenosine	839.7002307	850.223382	813.838158	777.5621207	911.6789893	1077.364559	956.8092264	1399.702494	1190.949296	1251.662613	1246.832654	1111.46465	686.8947285	734.448824	587.578264	535.9048372	576.7105011	408.6956425	1184.180091	879.8365534	857.4040678	1057.703857	929.4481167	841.7769606	971.6860672	648.2960022	485.0037737	989.1952655	703.5000336
Acetylserine	995.5679576	1114.253164	1211.102041	1580.143596	1971.010619	1680.927664	4764.546364	5986.752533	3065.223078	45.01638104	508.9799166	862.7715501	82.59969075	81.04417107	2401.279174	1626.528366	42.84726366	1655.063713	1522.475028	5263.455381	40.4652013	59.56569	346.1387764	272.4357741	1593.682337	38.87480323	33.14275865	45.54676708	925.7148074
Adenylosuccinate	307.4559686	244.1753876	263.5731161	244.4110592	295.3122653	390.1258463	357.7467172	612.1491023	487.0165117	1030.213798	872.2615608	789.074486	531.6144569	21.01607051	19.85151523	23.66341746	21.36820978	65.8176793	52.14055321	36.163255	28.26063214	683.3761852	415.0800688	349.1977569	448.0496871	527.0056017	302.3833567	811.374918	423.7075597
ADP	2046.876796	1934.225801	1872.323246	1843.920445	2060.21016	2319.080896	2099.15627	3037.972381	2768.813573	3423.715948	3695.856843	3183.780776	2230.906578	1181.690259	951.6188606	1154.686983	1189.049785	1341.888872	1603.900296	1469.691573	1356.402652	2794.387714	2053.085451	2097.854511	2821.711328	2760.466549	2286.883194	3436.027706	2697.609359
ADP-ribose	830.3255443	728.7097225	637.7311161	643.9894369	634.7464574	390.3786572	451.5152277	590.0825254	611.0162148	1168.371294	1749.978483	1849.5304	997.563391	426.6877615	364.1654829	673.2385944	475.9689776	372.9569181	774.5544326	755.2612373	775.5060186	401.2647612	312.9521706	334.3375992	511.8609804	942.3829953	852.9796708	1273.043875	1084.565656
Aspartyl-Arginine	11541.13721	8555.396314	7576.485493	7450.560718	8464.973825	5128.667404	6388.994127	9045.958331	5025.491936	13453.83527	9369.582115	11516.26689	13245.51209	3147.435203	1662.869969	2761.465669	1537.834552	5347.175023	10925.02564	7218.68247	7680.716688	3634.348604	4183.407767	2979.259797	7010.264357	12018.12187	9750.424903	12441.57143	23915.69841
Azelaic acid	1371.086711	1420.45765	1679.710728	2108.20077	3113.389525	3305.195679	1639.146024	2706.546148	1333.941701	4695.016178	5547.818375	3746.41357	2273.958448	1182.802942	1512.431508	755.6330264	995.259931	1258.21992	1514.867567	5176.867857	2346.150688	906.9474392	1686.874224	961.11865	1540.972138	5176.556013	3510.10489	8093.993598	3923.939299
Caffeine 13C3 (ISTD)	331.2425963	268.5390975	257.7485456	233.0942854	252.2559224	196.692453	192.5416755	238.6304205	223.1836555	269.1263991	321.5611526	317.3008383	208.7610342	274.8055948	224.3785705	207.9668383	289.3918238	103.978122	273.7307695	280.4217702	423.8489322	265.337246	227.7119669	201.429066	242.9193621	238.3804989	211.076829	312.642674	339.4329971
CerP 19:1;2O/16:0	8029.238494	5884.029669	4493.271502	2879.171363	2655.530724	2055.723922	2189.052574	1610.262145	2242.93279	4463.699486	5410.666007	5873.731211	7414.014718	10626.22041	5130.760717	11804.58005	11290.55276	6507.605294	7112.604186	3856.501671	10199.3219	4344.586454	3610.745111	5368.364726	3634.797875	6006.982395	5888.350223	4612.253998	7513.601868
CerP 19:1;2O/18:0	8293.541923	5850.87441	4252.049032	2702.423166	2488.974699	2544.3957	2649.311198	1991.669677	2767.986503	3731.130364	4979.35717	5416.893626	5696.462633	9675.113694	4767.102976	10190.18827	9922.308454	5701.396788	6308.072347	3398.977265	9324.923827	5055.204853	4294.870455	5721.578663	3679.334535	4800.834971	4694.045495	3965.761594	6928.700462
CITRATE	270.8212935	385.9338346	512.5212789	801.0051831	1755.270342	6925.315475	3727.712703	10021.43711	6922.238332	3122.921182	3191.225863	873.5394833	61.98061064	193.4488429	330.3611749	174.525222	229.0511538	164.5049734	214.9821521	2272.973495	375.4214785	4148.280504	3159.574866	1300.883536	3698.43704	223.6311532	75.82575185	1713.4947	61.1676686
CYSTATHIONINE	76.33373644	82.00496037	75.06839569	128.6571449	156.9301002	205.6437277	99.43287505	226.0106951	204.3353178	217.4992939	145.5400681	115.9243995	66.18808239	55.51867583	52.83259895	25.66480468	47.87789292	21.95873641	24.21731169	134.6455547	58.30995049	154.6879785	202.9577084	87.63690977	221.0943635	157.000915	104.5133245	209.7473919	84.35413262
D-FRUCTOSE	1367.772666	1331.296476	1532.493379	2104.791823	3149.998677	2050.858453	1132.845761	2307.240583	1777.319247	3177.119993	1640.098506	1164.009367	1302.399401	1453.041519	1426.79542	1204.740712	1568.558133	932.2540349	1340.984007	4338.297073	2132.215126	1711.240582	2183.848724	1326.924686	3722.813243	2788.298963	2138.483006	2743.979052	1337.640681
D-GLUCOSE-6-PHOSPHATE	401.9472932	384.0823519	447.3520579	502.4289729	717.0311469	622.0049211	431.7235323	1102.686413	704.1973135	1937.117072	2021.844151	1667.810417	344.9519466	184.7795604	168.7612767	174.2893361	133.3995215	297.9714183	296.4607969	534.3558383	200.4373263	258.1154636	429.3020614	316.2768004	842.5963497	596.0508262	281.309759	1272.366411	457.4237023
D-Phenylalanine-d5 (ISTD)	7383.940197	7852.994376	9375.931668	13442.71439	20231.80088	14776.46827	5606.465775	10126.79553	9301.071651	25315.42992	8646.483756	5928.77283	8285.042857	11978.66271	9271.965308	7089.448276	11243.63268	8732.36228	6915.41405	21788.20975	9660.097855	11988.03816	25348.04702	12966.90483	26689.42154	17574.05413	14157.36125	18506.31559	4916.799387
FAHFA 18:2/18:1	1187.764653	870.3705252	615.8056292	428.7763825	345.357957	1678.612316	1974.731891	2095.601274	1959.234429	333.643684	2494.315162	1681.844362	356.8348924	759.8746779	638.868184	364.0787961	713.2890262	529.5970085	485.8012046	407.1232921	1034.091539	2948.14184	1630.720774	1869.877295	817.0690896	337.0725394	250.4841393	1039.805821	1626.860024
FAHFA 34:1	1695.892686	1249.530052	935.4640214	548.1509153	526.5776665	1049.526126	1073.315496	899.3137904	1134.546037	599.796279	1821.691203	1655.584062	651.9756474	1510.022667	969.7564015	981.7601001	1592.416495	995.2612084	1016.400729	769.7639684	1894.921352	1772.456397	1186.78091	1399.779814	853.1281714	656.2794093	556.8229486	1083.793903	1954.895442
Ferulic Acid-d3 (ISTD)	3926.886123	3810.63651	4392.460813	6014.295109	8567.574826	8076.33892	2448.189858	4060.607545	3285.441354	14727.13545	6624.525815	3966.960876	6059.091737	5223.733636	3874.289291	2445.107853	5613.331647	4399.101054	2584.247364	8121.170973	5364.907619	6831.116733	11716.03676	6951.662377	13071.64902	11857.4341	8740.814664	11978.06104	3420.440454
GALACTITOL	49149.66774	51062.63989	60655.3326	85579.84029	124435.1902	161094.5954	99229.18013	235179.5983	134248.7031	166340.3184	78256.81834	80003.62397	54924.51786	27940.22145	25634.60317	16617.44552	17392.01517	65016.5617	87590.66263	96841.72829	37213.44103	77878.03516	134269.4582	69251.24984	202880.6348	123887.3479	80790.09965	154093.0866	58044.62891
Glucoheptonic acid	11175.7245	10568.88565	11678.91751	13612.29794	17457.30789	15252.77339	11556.80719	18188.37879	12695.79203	16279.3001	11736.53626	10423.2324	7796.571958	11775.2621	12025.28133	10514.85516	10747.56069	14905.37226	12119.15915	20208.38835	11740.05752	11667.64419	14928.54796	10923.28245	18543.81366	11581.81941	8436.181557	13655.68966	8084.3079
GLUCONIC ACID	2849.438457	2507.464332	2829.878357	3759.819599	5406.113447	3784.991432	2572.872049	6427.294324	3607.177548	3925.580706	2490.820077	2019.198844	1307.081554	3444.485237	3518.830434	2986.349471	2696.470909	4000.711988	4307.491184	9173.852003	3803.555722	2639.317365	3247.244571	2152.869345	4778.234211	2591.893339	1653.743641	2987.644938	1704.644456
GLUCOSAMINE 6-PHOSPHATE	335.7551864	314.2505841	394.8209547	479.9695459	679.124695	915.8836847	504.0416577	1491.226286	827.9256063	647.9994884	524.4973622	359.2839272	181.5832674	358.6350358	441.7009385	359.3391077	348.7624511	899.7256975	678.7729465	1013.277566	376.7674289	515.3430328	556.3624882	348.5782793	937.2407856	374.9733054	202.3784917	570.0923899	233.7971151
Glucose 1-phosphate	1304.313135	1341.718838	1385.373036	1702.535319	2493.207423	3002.536184	1745.566979	3879.402095	2728.907293	5950.980251	3070.243021	2443.829317	2214.615213	362.0870924	411.8130463	256.6619692	301.0724537	1186.246776	568.7775535	1211.194943	507.0045127	2264.941541	1881.893384	1273.898692	2638.952382	3833.26812	2740.533866	4464.454841	2207.161999
GLUCURONIC ACID	455.9106902	419.0171384	481.7022954	638.5057172	882.1253364	811.0071401	503.918599	1018.933718	816.107855	930.7714728	446.0021045	386.5660168	278.151341	566.5491745	595.2262157	501.2451485	585.39929	748.8298247	542.826764	1057.512516	480.2013743	499.1672828	663.9565931	429.9109839	947.6021568	553.8732989	341.1025392	599.2557504	287.8791271
Glucuronic acid 1-phosphate	171.08807	151.1673582	161.8129773	199.9798155	255.0001642	36.291589	27.84270292	53.62681741	29.7783108	969.0588732	423.413985	362.2334221	445.5280084	12.56016835	16.45955662	16.68918288	17.73296532	28.7128257	20.90304048	26.18320162	14.6792894	19.44909743	29.99116686	16.50865627	43.66171059	1349.816216	521.7207432	1420.92757	673.3301552
GLUTAMINE	5055.774666	5141.664858	6003.238432	7560.474906	10594.11739	12605.64445	9081.566107	13840.25658	10899.55424	13795.18517	6576.224047	5886.28681	5310.869823	4290.931929	3509.795321	3745.089882	3412.219275	3483.694691	5640.182319	10037.19645	4353.453344	4605.133772	12034.88834	6086.63431	15176.27806	9079.75969	6967.352738	9456.51549	4343.188168
Glycerophosphoglycerol	830.8987164	745.8039647	961.4803593	1326.581123	1957.624582	3254.606441	2211.627507	4599.846043	2848.798271	3163.033784	1808.810618	1326.578393	947.1548243	212.7996799	359.3236559	223.5377151	240.9144463	325.6640608	180.8878102	899.6418353	299.8257725	1846.008332	3247.934031	1471.143535	4395.67529	1766.369156	1222.238686	2291.258572	896.5328082
Glycerophosphoinositol	107507.1336	104969.1078	105045.5978	114351.826	153252.8068	154536.2514	125525.7273	207418.6536	141743.5393	164629.1926	118387.6409	112960.5723	81467.04086	90406.73389	94143.86477	84246.30304	96873.97174	86607.22917	95162.43936	172829.1259	106936.4751	116566.5575	138876.9707	108422.4937	183405.0777	111334.4938	83666.30031	134843.1102	87891.14844
Glycerylphosphorylethanolamine	5059.37417	4612.219747	5146.323458	6894.863708	9870.488618	14993.04869	10256.38666	28084.36813	14127.30877	8521.549314	13665.82055	8154.854211	3326.244094	2285.68286	3026.764016	1352.056784	1858.075868	1925.641725	3065.275636	7632.389874	3888.130094	7515.68865	12393.5323	6031.076099	13835.44384	6903.489021	3693.484877	12063.99743	6253.627508
GUANOSINE 5'-MONOPHOSPHATE	404.3744077	380.3526266	431.2581407	389.9554026	555.2223062	621.785112	479.2820998	912.2217974	543.2357732	1085.546868	1048.190214	747.3663088	470.8876782	132.6322026	147.8667836	114.4970349	130.1885305	234.6799354	218.7491237	331.222858	183.6697554	563.2600576	429.3401137	404.6284015	660.7599787	575.2480379	357.8742918	863.7315014	533.8111441
Histidine glutamate	847.9762695	807.8216907	751.672605	788.282735	972.1163309	1386.508188	1151.928202	1521.054418	1273.401548	1899.915343	1456.749244	1349.604145	1023.979886	141.4213601	131.8788465	117.7095501	101.0012589	356.2488679	197.6063419	239.0429867	199.7533933	1259.948711	1499.704292	1111.549328	1721.994567	1469.90619	1153.96066	1732.099418	1244.94312
Hydroxydecanoic acid	144.2091232	140.2863825	202.8235543	226.9379038	370.887249	523.2891579	194.9324238	401.4186564	428.0380139	554.2095288	248.7524939	174.4152209	159.5424094	140.3052249	130.8906567	97.80155947	141.0897814	117.5036261	72.01155437	350.2920959	116.4108153	385.5869423	469.8068262	229.9274105	752.9821499	377.0181918	269.2628727	398.9300128	112.6666253
Hydroxyglutarate	9712.230077	10526.03626	9315.175233	11502.30892	12653.76318	20638.71872	12986.92308	25819.6006	5423.974557	9959.553687	17414.14803	8896.660766	3917.478552	6786.700335	11088.19853	9023.558793	17756.14528	12108.27032	6405.177523	7793.113147	5764.133399	20762.45746	22693.6335	14285.17724	20407.3729	8191.799223	5676.014248	11025.36234	8297.134801
Hydroxyoctadecenoic acid	33085.54581	29437.12453	28413.80493	28658.89655	38016.7687	80751.16339	60810.55492	119044.3499	74368.77853	32521.0139	66268.54621	45846.59223	15244.54116	24056.09415	29758.30609	15122.97942	23751.96796	20196.12325	19173.38237	40563.43285	29064.47785	67692.39193	84856.3885	50249.39046	74472.73116	26254.79597	17781.19545	56074.91286	39493.39467
ISOCITRIC ACID	4554.607766	6119.440391	8049.920192	11024.74969	17245.45203	17930.1542	10117.34266	31115.80577	18573.48169	14855.94262	8614.149738	5720.095543	1653.951781	6567.002739	11841.00826	5820.848284	6298.931893	3322.900975	11469.35611	23064.0514	6320.236937	8910.112935	11112.32086	5932.223215	17760.13558	4622.953473	1648.300487	8580.413322	1334.873424
Isopropylmalic acid	4633.380766	4453.946307	5321.901953	7351.703416	10925.61733	43651.99815	17288.34981	62382.86747	27588.20534	42217.35653	24926.22503	10690.7396	9477.996059	567.2471227	1061.973877	615.92911	602.9270459	6197.650477	919.8465947	1968.692124	540.5870644	22962.06315	19991.02094	15564.59954	31156.66137	11877.64668	9191.216139	16102.48103	5117.933486
LPA 16:0	594.8815571	487.0427524	436.1949743	412.0149484	495.8875843	935.2475109	1224.012837	2223.286443	1047.356805	283.7809401	1323.785644	944.7215132	405.6875407	147.6235443	108.4562597	76.29440822	239.1596742	172.4469745	64.71256383	130.3743966	188.3333974	1164.983191	902.5381964	508.0721586	347.5203906	300.3261981	253.2829793	327.8256506	580.6978637
LPA 18:2	453.2467769	352.0860719	306.3817347	288.0915967	301.5848002	585.2588888	967.3667507	1370.652274	677.4635155	219.8696228	454.5123027	507.2354287	272.9770784	256.286146	93.25606327	182.8268966	203.9063526	129.2825621	79.01450975	106.6027163	225.6517233	810.1093956	580.5987798	335.2612289	302.2370721	269.4947631	157.9832582	189.598876	240.3291807
LPE 16:0	483.7769211	358.0393542	312.2277261	289.5513885	320.7932173	788.8590562	568.4578398	601.574741	673.2983689	373.9057083	400.4889863	489.3823938	216.3760224	139.0752729	88.92147547	79.7170836	165.5300305	207.0849428	49.65998235	43.33059453	118.9009075	1005.961861	792.5077986	810.2528623	647.5969156	306.7740235	174.8010136	503.2997014	317.0290493
LPE 18:2	702.7349911	583.9976721	495.9042497	450.3650963	464.0067907	1212.373386	1054.12947	1047.32666	1525.846601	460.9803072	107.8341785	445.6285299	124.7883273	519.0420844	169.4012675	158.6364596	475.13849	191.3649123	45.5904485	46.65546805	160.0205468	1811.921645	1477.899284	1525.638072	1100.570148	228.8008334	124.4708029	613.1322684	181.9209112
L-Phenylalanine	2792.178176	2888.101034	3543.128048	5157.353079	7603.134095	4657.223889	2091.741393	3861.78186	3394.831636	5385.828198	2563.703731	1116.157876	1089.816246	4081.498387	3693.15502	2387.042678	4414.676698	2145.07145	2743.739768	15445.29108	7716.434073	5123.2808	7536.354903	3473.871585	8178.218493	3252.737625	1927.93586	3416.263837	1655.22827
LPS 16:0	743.0091959	553.3598481	466.2412276	457.7681656	430.115715	622.2502669	352.9974249	240.2005936	539.3254738	690.5116013	394.8141502	653.1631563	525.7667607	546.9774776	321.2946148	305.123798	532.9231843	383.4119609	171.3510428	205.9586792	463.3074128	790.7479216	680.5804946	895.5413801	879.4891028	721.0959339	559.4352504	962.0937491	830.259968
LysoPE(14:1/0:0)	5435.434129	4397.935378	3764.984974	2715.190496	3434.086604	6598.588393	6151.650988	4776.373288	5747.789701	220.7019607	1883.341127	3755.899706	1069.739069	4359.078366	6838.965898	17046.57312	700.2473314	9760.980199	5724.474279	4330.268167	451.2855059	682.8541425	3099.196123	4398.673878	13485.51112	283.4353257	239.9454126	213.9817283	4862.323764
LysoPE(18:1/0:0)	1063.75141	910.1540234	689.4218433	642.9410859	634.9714527	1415.676751	1203.849136	1235.866571	1542.381676	708.8972195	515.9603219	841.7099286	324.5881783	880.6480689	569.6310148	465.9462797	885.1018759	536.0639237	138.1349648	211.6778081	582.1973336	2304.810843	1721.176784	1800.80717	1454.425822	469.9643212	297.7386092	918.9643377	505.4988964
Malic acid	18736.38078	23902.33822	27012.03774	39143.09674	57083.78209	121724.5022	64709.58252	156948.4309	126830.7353	103253.6611	64200.18304	50757.43832	16009.99554	3869.611264	6504.21725	5082.097044	4380.54064	12854.19786	6591.507421	13725.63779	2731.00448	75492.30329	104446.7126	61181.5363	121028.7968	56314.97782	16260.78355	87581.42936	20852.34924
Maltitol	917.8297425	849.7827717	818.2052787	836.636733	1069.687539	1054.905062	865.8576337	1451.957328	1156.341593	1139.377193	952.7515953	939.9210586	583.7715614	662.8130804	548.8985397	488.1630821	516.0643423	1085.963891	1746.781851	1357.789788	1054.1514	1006.929514	1073.910567	832.2519436	1340.624546	906.7079019	628.0604942	1174.07515	779.5331918
Maltoheptaose	2910.557183	2328.928536	2005.600438	1646.782309	1586.49468	3016.273932	3353.620679	2968.945493	2934.710448	1829.84149	3865.726825	3087.711866	1658.363712	1841.587258	1495.280012	1044.531188	1580.853609	1602.097091	1354.624007	1190.901607	2196.29776	3448.394486	1789.999298	2266.032203	1547.428198	1368.680394	1079.730933	2100.028301	2724.547376
Maltohexaose	3200.361063	2575.155697	2123.387159	1909.560897	1830.84822	3206.081637	3773.42432	3335.05466	3061.824179	2002.399759	3830.334879	3322.161126	2025.325548	2177.398418	1765.516313	1472.380833	1953.590223	1802.99772	1608.382321	1423.332262	2485.999375	3533.993394	1915.968764	2475.93669	1695.757147	1475.21556	1348.622216	2162.201871	2790.774432
MANNOSE 6-PHOSPHATE	1812.50391	1777.678982	1949.865452	2435.433077	3384.849741	5235.70506	3122.242234	7234.050435	4798.009483	7239.094591	4335.109312	3155.273057	2121.967011	588.1695651	699.5309882	406.2544183	434.0210366	1895.379927	977.85676	1999.67968	866.8529093	3866.532467	3428.388866	2128.573828	4706.23127	3977.225543	2198.973767	5354.688968	2097.666988
Methionine-methyl-D3 (ISTD)	1270.477297	1321.980513	1484.963774	1984.97768	2718.686159	2468.155357	1410.334705	2499.551517	2878.452249	3446.071458	1626.313003	1608.45779	1892.970311	1438.428822	1338.158287	964.7724113	1085.443576	1181.200711	989.9778767	2840.250465	1414.432273	1560.388226	2642.813557	1754.183627	3508.559398	2920.478925	2468.010725	2805.833138	1212.352024
METHYLCITRATE	1770.339355	1582.996507	1791.798517	2068.985084	2523.741774	3047.730367	1882.217057	4066.962207	3290.502536	2541.727706	2277.864412	2120.068596	794.3103671	1521.546503	1621.532596	1099.302	1245.449486	617.2568443	1532.91167	2220.431501	1316.579131	2179.637289	2337.442967	1718.429004	2746.179633	2157.304911	834.2562741	3370.272167	1228.857582
Methylnicotinamide	1298.314196	1337.316261	1502.703425	2260.325396	3225.996268	2980.876396	2303.259167	4806.700618	1741.436947	3842.111098	1812.686931	1670.868217	1213.848562	1277.50977	2268.500799	1533.427724	1196.295604	1272.499061	1458.902779	3712.788488	1205.137527	1720.977444	3448.387253	1797.715832	4704.341126	2950.754026	1997.950681	3191.543863	1368.007666
myo-Inositol	3877.065246	3749.249586	4510.128191	6277.351491	8686.803506	8784.387832	5523.24014	11420.8588	6993.100613	9710.040008	5662.653906	4646.566398	3056.633432	3476.353956	4096.221036	2971.041851	3158.533653	5948.957773	4377.747558	9789.333065	3826.282513	5589.787377	8418.841926	4719.350004	11294.21893	6013.346858	3698.023551	7532.84576	3044.977858
N-Acetyl-asparagine	4946.625665	5293.651399	5850.59946	8246.491947	12010.09648	13582.96168	23377.07372	53084.47645	23242.8879	1504.009316	3418.21055	5783.945008	932.5819809	553.7512343	9482.349014	7018.391216	169.7479546	5560.657347	9495.227114	20421.50381	176.249004	839.3217798	3249.970371	2008.948991	16562.48961	577.2273503	332.4290028	801.3435362	4153.964246
N-Acetyl-L-glutamic acid	1375.413386	1344.932518	1565.511268	2122.495877	2842.238951	3213.9817	2103.173199	5076.909103	3111.354472	2926.756022	2005.787725	1572.854137	779.5157863	1434.178938	1933.56838	1433.629302	1444.590093	1414.655734	1701.859713	4347.293832	1653.300806	1781.516199	2313.75107	1416.136492	3104.709013	1745.435955	1007.745715	2525.774819	1015.152154
N-Acetyl-L-glutamine	249.464488	238.8181154	321.0821858	362.5322248	591.888544	618.6954801	1196.440767	3317.87472	959.5448767	360.0277309	235.1405234	299.3417298	107.6774224	70.64656083	473.1790436	308.4974375	57.70086426	219.5023299	402.155636	876.5685111	75.28381504	128.659135	230.4567927	139.2913145	643.2272227	202.7532553	108.7133733	225.2483612	193.3072943
NADH	216.8075707	201.1313392	156.1803194	147.2307198	147.5615519	115.2784748	29.57973712	58.05449133	62.12842127	354.8080016	143.9236325	91.06211144	155.64483	107.9711238	10.43003945	31.01315859	151.2551033	49.982524	10.60118311	16.6424429	13.92551226	951.7274804	464.7393969	535.5418638	274.279091	282.3987681	98.07587591	339.1459653	57.66797103
N-Docosahexaenoyl Alanine	19735.09858	15137.40604	12364.62585	9255.991057	10818.79379	7826.736643	9027.739134	8951.350242	10377.88919	11881.88489	11473.92318	10598.59849	18077.5664	17263.16542	10507.1236	28718.00785	18635.42239	12161.99129	10359.25283	8707.728945	14599.13868	13098.88806	12537.19474	16964.08468	21545.0097	25652.17637	13203.98207	9766.979951	12725.59526
NG,NG-Dimethylarginine	128.9852882	128.6710208	167.2828814	247.5119106	353.4175805	269.7508661	153.6553844	358.8025215	218.6495759	386.5494735	232.4207707	160.79437	85.51849847	158.5084087	200.5222287	103.737123	119.5786881	81.54656482	69.8421663	429.6278699	168.1484492	159.7509015	272.3054792	151.6328271	344.8342197	207.68308	142.8616644	311.6761914	123.6094941
N-Palmitoyl Cysteine	3440.544173	3128.68885	3233.784491	2841.839232	4392.486777	4375.731389	1696.399155	2655.119582	3197.942681	5203.972512	3531.091775	2594.785771	2653.529037	4698.276275	3434.56193	3326.674468	4620.518167	2351.910267	2184.485061	4778.043927	4813.53119	4193.138063	5137.789664	3462.086885	5355.693329	4289.292234	3408.297188	5104.791624	2583.947089
nucleotide sugars	938.4610111	794.0571166	674.7762465	654.0246371	763.7741309	815.8239289	898.7742208	976.9301837	901.2259677	558.8750508	852.7656909	900.3864178	436.7106936	753.3653193	591.5789043	665.0023425	724.8600545	528.3076623	782.0372019	848.2406278	1011.997671	1050.57217	757.4764064	779.9823341	761.2190796	579.1496591	444.4334714	777.6580945	787.6714944
OPHTHALMIC ACID	342.5710258	320.5029937	314.365684	315.4755112	511.5908418	428.8901095	374.6112638	640.1878894	453.8395578	746.3114732	531.8923164	462.4877915	265.882707	240.0286899	215.5459784	198.1122046	211.3646578	196.9059219	175.585678	566.7150514	366.8070978	371.4251764	440.2820421	272.1145003	475.6571375	532.4684205	355.0358972	695.1312489	403.9030059
Oxidized glutathione	6971.015539	6366.590331	5278.007859	4900.030417	4433.155354	7811.546581	6666.828821	7612.531505	7743.274879	6961.870581	8833.771398	7733.026922	4877.629183	4859.834683	3363.035913	3355.186904	4975.823565	4717.264654	3964.291862	2738.536015	5085.020917	10408.81299	6579.487614	7626.135053	6124.584608	5704.331065	3636.068576	7373.889921	6526.539057
Oxododecanedioic acid	406.5477588	415.6554092	402.2958204	496.9359694	637.708271	606.8243332	339.9266562	490.2519999	469.3579618	723.7700845	652.8261475	550.47158	434.9055574	350.4975634	226.7025474	181.5152793	318.7752411	460.0610426	754.8792527	1650.160494	1227.764891	284.2275405	353.8594013	222.8374204	508.8330935	762.7227623	660.1061728	848.1344149	584.0435769
Oxoglutaric acid	223.5852543	238.6506794	252.9845517	310.6060494	412.3241734	963.6584937	2851.51582	9165.964529	4396.325419	14.28902907	183.4554581	738.4133134	8.041637832	6.758501715	272.0085867	152.514335	8.287834115	124.9501919	86.73188391	103.2438913	5.492256154	12.84502045	41.79997391	34.73910834	696.9729188	6.08832381	6.010103413	14.7281241	231.0989199
Palmitic acid	16586.39547	14976.29392	15138.26865	15892.52141	22069.6277	20654.99766	12899.64645	22295.93389	16481.06919	27046.00575	19110.15118	16188.5043	11040.32975	18486.48617	18514.99074	18492.72033	19939.96707	15860.46217	17329.75753	34420.41541	18783.48567	16016.49961	25421.52529	15442.7295	28517.38221	19585.71045	16592.6934	23079.80683	16928.44664
Pantothenic acid	227.0214837	219.5588939	216.2135585	310.9112951	468.7920404	609.4001255	379.1300996	725.4598029	550.7085718	784.2463911	537.5847701	414.6441062	226.975281	77.82785411	118.1610604	65.27748029	80.0931697	120.7233713	86.63433549	319.7398297	173.8810341	421.758085	659.5455286	374.7945057	714.8890513	523.309469	326.5127723	654.3398852	281.8022647
Pantothenic acid 4'-O-b-D-glucoside	3851.124593	3334.135536	3181.721233	3264.311905	3593.992939	5373.267298	4253.663919	5923.372781	4535.088534	3250.45572	2799.489551	2985.47187	1791.970735	1852.670187	1020.964726	1012.800021	1253.54043	3614.375625	5002.480686	3043.657651	3629.433897	4924.693766	4648.880423	3716.722039	5431.264121	2958.816854	1896.966236	4032.384152	4067.472485
PE 34:2	1151.709983	886.5858359	655.2329269	575.3314811	460.030926	1012.627745	914.5285617	773.6616683	1481.385592	890.7804934	827.7712336	1007.912621	705.9033004	165.0823812	77.6087789	98.4604774	197.8329765	447.8430939	110.9139119	66.53288402	115.7911843	1682.917375	988.9388609	1458.762631	1149.91236	760.8787232	542.9099028	785.0833168	875.9832925
PE 36:4	3217.632657	2518.022824	1841.956689	1519.737966	1349.733298	2696.402899	2780.519116	2203.33708	4149.681275	2541.196024	2186.506974	2623.309528	1722.618435	531.2039935	176.3307919	440.1415086	480.8380001	895.344122	363.621194	179.5035687	350.5128701	4669.437701	2879.92335	3742.965615	3506.477515	1906.945975	1210.942868	2032.879842	2219.899611
PE(18:1/0:0)	739.3732397	589.3213019	496.5559541	472.8571182	495.0350492	898.7344101	874.3633834	861.3165554	1016.098732	421.1335279	279.0564768	497.7783535	200.0160577	641.2599283	352.430901	317.8792632	646.929795	355.5860679	106.8742373	140.6327941	409.4641195	1349.133054	961.1936287	949.2884314	871.3447301	262.7540544	136.9788809	560.6906699	310.5566328
PE(20:0/PGD1)	3415.407798	2544.869692	1871.166614	1519.129567	1195.322146	2429.94642	2092.79696	2079.30701	4661.301816	3029.248613	2032.515256	2232.150345	1550.230369	747.0116797	274.1273749	677.7171682	810.0925981	916.2146586	413.6585632	203.2683618	459.3714178	4195.007375	2206.117658	3122.780252	2540.301489	2280.262689	1711.29444	1915.269621	2116.724763
PI 34:1	1483.687158	1101.30901	834.3758335	656.3554994	539.0693258	1040.032743	1428.456435	1051.581833	1140.981591	815.454973	1427.054641	1683.952142	983.3894512	648.2689014	328.9078427	484.0553747	712.2724694	769.6159474	549.1382365	299.3763289	531.8242159	2106.693117	1128.63907	1486.769457	1033.162873	709.9905652	517.8380987	908.1042283	1433.986508
PI 34:1_iso	6036.835038	4245.228567	3296.799271	2592.43511	2280.785998	3534.556914	4543.3236	3771.743811	4428.712355	2935.870305	5090.274615	5851.062032	3269.846038	2058.156016	1165.187289	1981.622974	2307.297006	2349.123175	1972.801007	960.7974651	2096.943751	7566.885415	3880.653055	5715.457724	3582.001105	2718.980554	2057.663578	3332.186284	5388.115005
PI 34:2	4702.955381	3360.204721	2658.015313	2140.817002	1819.278806	3494.773763	4530.857969	3788.781243	4235.451535	2542.202025	4575.046524	4730.335833	2749.277125	1189.113279	722.4452658	1005.073155	1337.094477	1728.82673	948.2447103	609.0773946	1185.531067	7440.972454	3682.277347	5490.993341	3445.505419	2133.603623	1495.02845	2737.513418	4336.830385
PS 16:0_18:1	14526.23166	10836.80403	8540.24687	6880.792142	5838.972087	7989.565344	9937.777125	7796.893375	11782.19295	10106.95255	9603.896663	13499.22978	9235.686453	4305.555933	1879.351119	5701.781266	4616.685182	7508.832145	5493.156945	2246.300803	4222.416671	14428.31717	8677.592889	12900.46587	10724.17999	9472.870785	6938.981647	9179.333109	11833.4276
PS 16:0_18:1_iso	5854.325648	4209.538334	3250.50692	2446.200205	2346.178131	2797.947593	3954.709787	3246.023532	4794.206512	3965.491025	3370.987917	5494.854691	3585.140301	1669.556546	659.9575357	1851.160071	1955.629757	2830.337138	2070.941767	781.6065139	1615.387137	5744.14232	3434.575094	4333.643112	4175.139909	3363.620797	2592.495822	3753.818012	4236.408788
PS 34:2	5422.213054	4215.229979	3203.076833	2558.4176	2323.667123	4352.763366	5233.397483	3981.603308	5989.059719	4011.862813	3830.640016	5387.86126	3808.520922	297.8136274	136.528693	355.4320001	391.2716115	1436.537455	467.8506827	138.7800481	312.970907	7457.875236	4247.768521	6456.596894	5366.829526	3854.526276	3019.695359	3578.591344	4931.868269
Quinic acid	380.5365888	355.0620646	389.832867	607.3891292	866.246855	1071.361126	591.7947555	1315.457595	991.0653047	1198.751435	744.2643452	580.902402	397.9168067	258.5304607	286.3663476	250.6527868	297.1761958	282.4814168	251.2026735	680.7527606	275.2982421	615.7817656	845.165188	516.7573145	1336.54213	843.5441323	516.6227645	955.2881604	395.697472
Stearic acid	15813.46672	13995.30162	13331.68386	13378.03545	17575.17333	17416.98727	10750.63917	17047.70702	13195.9347	21293.43468	16173.78297	14419.64903	9463.188968	18199.8798	16025.07016	16230.99386	18432.03649	14140.5721	15521.04335	27109.41367	17955.55484	14811.18018	23368.15419	14506.97301	23939.83005	15587.28867	13551.3983	18630.78494	15314.87295
Traumatic Acid	794.4101948	755.224329	773.9102566	924.4256074	1347.620531	1555.745322	703.509783	1289.710581	642.21391	2104.46208	2834.324765	1954.0133	1195.319667	447.6173619	477.154525	265.2031472	390.6344035	659.8742957	749.1669876	2062.39187	1297.063157	455.7896769	878.8237016	512.8059211	732.4732469	2156.598455	1570.907095	3281.23	1994.929365
Tryptophan	221.6744603	168.7149376	187.2961021	250.866394	428.5393883	320.8691841	220.3605394	319.0280619	278.7019135	428.3384221	229.4619775	138.6639303	97.6757639	113.8331487	136.5214626	93.40652831	100.8059884	144.514434	224.8923679	628.7523773	404.33377	286.7192115	270.3473155	174.897292	507.0679876	191.9185749	132.07671	235.3608697	259.1866429
UDP-a-D-Galactose	5222.142458	4369.351436	4130.058743	3930.12363	3815.403238	9409.271692	9858.600966	11768.75859	10893.38587	1433.782738	3533.915808	3223.784852	587.9856012	3257.032374	2794.615183	2512.839174	3062.57797	4395.589171	3614.119449	2814.35664	3614.957678	8502.369013	6396.964003	8466.16443	7910.230085	630.798339	310.8766435	1374.066095	876.5766534
UDP-Glucuronic Acid	1102.668498	1039.513991	945.8325762	912.1054572	973.0978058	2303.735513	2385.78814	2938.9384	2893.18785	399.2071341	1115.477546	1012.526613	154.8834931	147.3861823	140.1806096	120.8580635	151.54505	632.4209523	199.5855062	153.3969674	159.5900559	5068.728899	2762.048167	2076.161707	2165.352361	490.3450667	123.4735655	1010.386445	389.7404845
UDP-N-acetyl-D-Glucosamine	7139.475334	5996.983072	5352.92463	4958.77776	5070.616852	5812.445492	6235.710641	6891.337479	6913.849047	5898.238866	6942.437152	5950.193124	4127.278984	5828.24658	4375.940146	4345.211057	5245.204924	3592.520127	5226.923544	5554.673956	8059.425915	6947.316928	4763.110741	5280.496717	5076.38413	3591.902401	2883.516922	4709.564555	4590.914943
UDP-xylose	487.0644885	427.7624257	377.789553	341.6367075	380.5479292	446.6304626	505.3094605	576.111391	451.4019793	133.235133	238.2368159	288.0882657	84.71753876	588.0313315	538.6624457	413.536465	569.6050593	358.2549117	624.5717166	564.465898	650.5953235	266.1053389	295.819688	518.3750556	535.2762868	76.61583089	83.53886589	132.9994033	135.4653724
URIDINE	1112.338068	1057.593603	1084.429596	1278.285953	1906.473411	4912.757007	2927.558523	4901.372834	3478.072415	3073.393437	2625.461616	1764.843489	998.0971465	187.8947288	203.066325	163.7324216	211.3162764	312.3867905	203.1935113	432.2756403	273.0164216	3979.791735	3743.774479	1981.289253	3803.045805	1852.968695	876.870093	2268.832837	914.669464
Uridine 5'-monophosphate	1954.414877	1877.672638	1951.681915	2074.910649	2612.103725	1936.057881	1555.691124	3126.081756	2156.008398	8503.656417	6030.262489	5544.980998	3618.730635	561.8436696	526.6628158	532.8149751	482.9970572	876.0349133	869.9203999	1273.579649	670.3935154	1421.105963	1313.724534	1097.241646	2110.750492	5372.559722	3823.524548	7114.828178	4467.396433
XANTHINE	306.449874	314.8402199	377.1673497	492.5339256	772.7212341	1768.326831	1065.191514	1819.746256	736.1758567	937.2613258	486.4025035	204.3157361	244.1784203	119.5854696	330.3249005	226.7103537	150.0188645	352.155079	405.8529008	1139.003924	428.9154049	505.9644864	584.7311625	701.4808401	1378.312613	364.3099585	282.4055048	335.8728081	578.8225689

metabolite_name	Adducts	Formula	m/z	Retention time (min)	Isotope Distribution
1-Heneicosanoyl-glycero-3-phosphoserine	M-H	C27H54NO9P	566.35	1.00	100 - 29 - 9.78 - 1.65
5'-N-Methylcarboxamidoadenosine	M-H	C11H14N6O4	293.10	4.82	100 - 12.5 - 2.2 - 0.29
Acetylserine	M-H	C5H9NO4	146.05	2.17	100 - 4.19
Adenylosuccinate	M-H, M+Na-2H	C14H18N5O11P	462.07	5.70	100 - 15.8 - 2.21
ADP	M-H, M+Na-2H	C10H15N5O10P2	426.02	5.65	100 - 13 - 2.22 - 0.234
ADP-ribose	M-H, M+Na-2H	C15H23N5O14P2	558.06	5.53	100 - 18.2 - 3.37
Aspartyl-Arginine	M+Na-2H	C10H19N5O5	310.11	2.35	100 - 14.4 - 3.07 - 2.13 - 0.344 - 0.0944
Azelaic acid	M-H	C9H16O4	187.10	0.71	100 - 10.9 - 0.986 - 0.152
Caffeine 13C3 (ISTD)	M-H2O-H	C8H10N4O2	178.07	4.70	100 - 18.2
CerP 19:1;2O/16:0	M-H	C35H70NO6P	630.49	0.71	100 - 43 - 10.7 - 2.35 - 0.446
CerP 19:1;2O/18:0	M-H	C37H74NO6P	658.52	0.71	100 - 43.6 - 11.1 - 2.03 - 0.264 - 0.0561
CITRATE	M-H	C6H8O7	191.02	5.39	100 - 7 - 1.68 - 0.132
CYSTATHIONINE	M-H, M+Na-2H	C7H14N2O4S	221.06	5.77	100 - 11.6 - 6.65 - 2.32
D-FRUCTOSE	M-H	C6H12O6	179.06	2.94	100 - 7.57
D-GLUCOSE-6-PHOSPHATE	M-H2O-H	C6H13O9P	241.01	4.29	100 - 6.99 - 1.74 - 0.174
D-Phenylalanine-d5 (ISTD)	M-H	C9H11NO2	169.10	1.74	100 - 10.8 - 1.38 - 0.154
FAHFA 18:2/18:1	M-H, M+Na-2H	C36H64O4	559.47	0.71	100 - 40.4
FAHFA 34:1	M-H, M+Na-2H	C34H64O4	535.47	0.71	100 - 37.8 - 36.9 - 8.4
Ferulic Acid-d3 (ISTD)	M-H	C10H10O4	196.07	0.80	100 - 12.4 - 2.07 - 0.339
GALACTITOL	M-H2O-H, M-H	C6H14O6	181.07	2.37	100 - 8.2 - 1.75 - 0.341
Glucoheptonic acid	M-H	C7H14O8	225.06	3.93	100 - 8.79 - 2.43 - 0.282 - 0.068 - 0.0509
GLUCONIC ACID	M-H2O-H, M-H	C6H12O7	195.05	3.86	100 - 8.48 - 2.23 - 0.128
GLUCOSAMINE 6-PHOSPHATE	M-H	C6H14NO8P	258.04	5.45	100 - 1.62
Glucose 1-phosphate	M-H	C6H13O9P	259.02	5.10	100 - 7.39 - 2.08 - 0.0772
GLUCURONIC ACID	M-H	C6H10O7	193.03	4.73	100 - 7.02
Glucuronic acid 1-phosphate	M-H, M+Na-2H	C6H11O10P	273.00	6.15	100 - 7.07 - 1.71
GLUTAMINE	M-H2O-H, M-H	C5H10N2O3	145.06	4.21	100 - 6.93 - 1.43 - 0.0865
Glycerophosphoglycerol	M-H	C6H15O8P	245.04	4.39	100 - 7.47 - 1.8 - 0.124
Glycerophosphoinositol	M-H	C9H19O11P	333.06	5.37	100 - 13.1 - 3.48 - 0.359 - 0.0545
Glycerylphosphorylethanolamine	M-H	C5H14NO6P	214.05	4.93	100 - 7.28 - 1.67 - 0.196 - 0.0236
GUANOSINE 5'-MONOPHOSPHATE	M-H, M+Na-2H	C10H14N5O8P	362.05	5.14	100 - 13.5 - 2.9 - 0.522
Histidine glutamate	M-H	C11H16N4O6	299.10	2.59	100 - 12.4 - 2.87 - 0.374
Hydroxydecanoic acid	M-H	C10H20O3	187.13	0.79	100 - 10.9 - 10.1 - 0.126
Hydroxyglutarate	M-H2O-H, M-H	C5H8O5	147.03	2.13	100 - 8.23 - 1.53
Hydroxyoctadecenoic acid	M-H2O-H, M-H	C18H34O3	279.23	0.71	100 - 22.8
ISOCITRIC ACID	M-H	C6H8O7	191.02	4.82	100 - 7.67 - 1.63
Isopropylmalic acid	M-H2O-H, M-H	C7H12O5	175.06	1.01	100 - 9.23 - 2.56 - 0.574
LPA 16:0	M-H	C19H39O7P	409.24	0.83	100 - 39.8 - 11.5
LPA 18:2	M-H	C21H39O7P	433.23	0.83	100 - 24.3
LPE 16:0	M-H	C21H44NO7P	452.28	0.84	100 - 27.5 - 4.75 - 1.74
LPE 18:2	M-H	C23H44NO7P	476.28	1.05	100 - 26.5
L-Phenylalanine	M-H	C9H11NO2	164.07	1.73	100 - 11.7 - 0.728
LPS 16:0	M-H, M+Na-2H	C22H44NO9P	496.27	0.84	100 - 29.5 - 6.37 - 2.55 - 1.39 - 1.21
LysoPE(14:1/0:0)	M-H2O-H	C19H38NO7P	404.22	0.74	100 - 27.7 - 5.41 - 1.96 - 0.797 - 0.642
LysoPE(18:1/0:0)	M-H	C23H46NO7P	478.29	0.84	100 - 28 - 18.2 - 2.46 - 0.422
Malic acid	M-H	C4H6O5	133.01	2.31	100 - 5.46 - 1.37
Maltitol	M-H	C12H24O11	343.12	4.09	100 - 13.7 - 3.12 - 0.386
Maltoheptaose	M-H	C42H72O36	1151.37	6.28	100 - 50.4 - 20.4 - 3.64
Maltohexaose	M-H	C36H62O31	989.32	6.11	100 - 43.2
MANNOSE 6-PHOSPHATE	M-H	C6H13O9P	259.02	5.46	100 - 7.67 - 2.07 - 0.099
Methionine-methyl-D3 (ISTD)	M-H	C5H11NO2S	151.06	2.13	100 - 6.76 - 5.24 - 0.487 - 0.0966 - 0.0321
METHYLCITRATE	M-H2O-H, M-H	C7H710O7	205.04	4.81	100 - 8.48 - 2.01 - 0.16 - 0.0888
Methylnicotinamide	M-H2O-H	C8H10N2O	131.06	0.84	100 - 18.4 - 2.15 - 0.235
myo-Inositol	M-H, M+Na-2H	C6H12O6	179.06	3.91	100 - 7.71
N-Acetyl-asparagine	M-H	C6H10N2O4	173.06	2.83	100 - 12.6 - 5.09 - 0.524
N-Acetyl-L-glutamic acid	M-H	C7H11NO5	188.06	1.98	100 - 10.5 - 2.26 - 0.863 - 0.133 - 0.101
N-Acetyl-L-glutamine	M-H2O-H, M-H	C7H12N2O4	187.07	2.62	100 - 28.6 - 5.34 - 5.84 - 1.15
NADH	M-H	C21H29N7O14P2	664.12	5.34	100 - 25.5 - 5.15
N-Docosahexaenoyl Alanine	M+Na-2H	C25H37NO3	420.25	0.71	100 - 27.9 - 5.28 - 1.24 - 0.142
NG,NG-Dimethylarginine	M-H	C8H18N4O2	201.14	5.17	100 - 10.5 - 1.31
N-Palmitoyl Cysteine	M-H	C14H22O4	253.14	0.74	100 - 16.3 - 2.42
nucleotide sugars	M-H, M+Na-2H	C16H25N5O16P2	604.07	6.08	100 - 20 - 4.31
OPHTHALMIC ACID	M-H2O-H, M-H, M+Na-2H	C11H19N3O6	288.12	5.06	100 - 16.1 - 3.7 - 0.267
Oxidized glutathione	M-H, M+Na-2H	C20H32N6O12S2	611.14	6.64	100 - 27.6 - 14.9 - 3.12 - 0.767 - 0.0681
Oxododecanedioic acid	M-H	C12H20O5	243.12	0.91	100 - 14.9
Oxoglutaric acid	M-H	C5H6O5	145.01	1.59	100 - 6.56 - 1.18
Palmitic acid	M-H, M+Na-2H	C16H32O2	255.23	0.71	100 - 19.1 - 2.11 - 0.167 - 0.0049
Pantothenic acid	M-H	C9H17NO5	218.10	1.15	100 - 11.3 - 1.47 - 0.415
Pantothenic acid 4'-O-b-D-glucoside	M-H2O-H	C15H27NO10	362.15	2.37	100 - 62.4 - 9.73 - 2.08 - 0.415 - 0.138
PE 34:2	M-H	C39H74NO8P	714.51	0.81	100 - 43.9 - 50.1 - 18.7 - 3.53
PE 36:4	M-H	C41H74NO8P	738.51	0.79	100 - 47.9
PE(18:1/0:0)	M-H	C23H46NO7P	478.29	1.03	100 - 24.7 - 9.22 - 0.297
PE(20:0/PGD1)	M-H2O-H	C45H84NO11P	826.56	0.79	100 - 52.5 - 73 - 22.2 - 12.9
PI 34:1	M-H	C43H81O13P	835.53	0.96	100 - 48.3 - 12.6 - 2
PI 34:1_iso	M-H, M+Na-2H	C43H81O13P	835.53	0.83	100 - 46.8 - 13.7 - 3.02 - 0.539 - 0.226
PI 34:2	M-H	C43H79O13P	833.52	0.83	100 - 48.2
PS 16:0_18:1	M-H	C40H76NO10P	760.51	0.83	100 - 45.1 - 11.9 - 2.43 - 0.633 - 0.278 - 0.245
PS 16:0_18:1_iso	M-H, M+Na-2H	C40H76NO10P	760.51	0.97	100 - 44.6 - 12.1 - 2.02 - 0.205
PS 34:2	M-H	C40H74NO10P	758.50	0.83	100 - 45.7
Quinic acid	M-H	C7H12O6	191.06	2.95	100 - 10.9 - 3.06 - 0.246
Stearic acid	M-H	C18H36O2	283.26	0.70	100 - 21.1 - 2.58 - 0.211
Traumatic Acid	M-H, M+Na-2H	C12H20O4	227.13	0.71	100 - 15.6
Tryptophan	M-H	C11H12N2O2	203.08	1.89	100 - 15.8
UDP-a-D-Galactose	M-H, M+Na-2H	C15H24N2O17P2	565.05	5.56	100 - 18.3 - 4.59 - 0.634 - 0.0467
UDP-Glucuronic Acid	M-H, M+Na-2H	C15H22N2O18P2	579.03	6.27	100 - 17.5 - 4.48 - 0.486
UDP-N-acetyl-D-Glucosamine	M-H, M+Na-2H	C17H27N3O17P2	606.07	5.46	100 - 20.9 - 5.61 - 0.775 - 0.113
UDP-xylose	M-H, M+Na-2H	C14H22N2O16P2	535.04	5.51	100 - 32 - 4.1 - 0.294
URIDINE	M-H	C9H12N2O6	243.06	1.28	100 - 11.8
Uridine 5'-monophosphate	M-H	C9H13N2O9P	323.03	4.28	100 - 11.3 - 2.37 - 0.269 - 0.0182
XANTHINE	M-H	C5H4N4O2	151.03	1.14	100 - 13.3 - 3.12