Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000884

(Analysis AN001441): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29	F30	F31	F32	F33	F34	F35	F36	F37	F38	F39	F40	F41	F42	F43	F44	F45	F46	F47	F48	F49
1-monopalmitin	1192.20	930.67	995.50	1159.40	749.33	898.67	715.83	1124.17	930.33	807.86	904.17	1318.00	665.00	689.50	929.50	600.00	772.50	734.50	687.00	775.50	913.25	629.00	720.50	351.17	244.20	338.20	243.17	299.67	358.83	280.33	185.00	275.80	279.00	270.17	255.20	204.25	181.33	81.00	89.00	463.00	97.00	99.00	157.00	763.00	213.00	289.00	223.00	278.00	292.00
2,5-dihydroxypyrazine NIST	3291.20	3268.83	2306.17	3411.20	3262.17	2897.50	1670.00	3535.17	1785.83	2363.14	2419.83	2125.67	427.50	363.00	416.00	399.00	529.50	274.00	548.00	450.50	314.00	472.50	538.00	896.17	1503.00	1483.20	2198.83	2146.83	1373.83	1793.83	691.20	1511.20	2605.80	1588.17	1228.80	2955.00	2457.67	56.00	48.00	110.00	59.00	79.00	89.00	453.00	154.00	183.00	214.00	215.00	209.00
2-deoxytetronic acid	783.60	1081.33	1026.00	919.60	967.67	905.00	795.17	922.50	1385.33	1074.14	961.50	897.67	866.50	828.00	1064.50	973.33	786.00	837.50	786.00	806.50	903.25	1013.00	794.50	254.67	178.60	190.40	192.33	223.50	165.83	194.83	166.00	189.40	165.20	184.83	168.40	156.50	201.50	50.00	39.00	295.00	60.00	66.00	89.00	347.00	172.00	141.00	235.00	106.00	164.00
2-hydroxybutanoic acid	3217.60	3618.67	3983.33	3776.60	5936.67	8561.33	14137.83	11226.83	5133.33	2049.14	2788.50	4536.50	10598.50	9459.00	3802.50	4799.00	5007.50	978.00	24593.00	11475.50	6716.75	3071.00	4993.00	7663.50	21139.40	5761.20	24662.00	20354.00	25024.50	17297.17	19610.00	1272.00	1064.60	13818.00	13314.20	11530.75	18707.50	410.00	324.00	206.00	2807.00	225.00	125.00	402.00	568.00	314.00	353.00	132.00	1055.00
2-hydroxyglutaric acid	7404.20	5945.67	1620.83	3523.80	659.17	549.33	2817.83	5757.83	2843.83	3104.71	892.50	665.00	2968.50	2502.00	2248.00	3172.33	1334.00	1288.00	6784.00	6397.00	4581.75	1796.00	1510.50	674.00	1865.60	970.60	519.00	1285.83	1154.50	1036.33	1125.00	323.40	445.80	525.67	1923.00	196.25	628.67	157.00	91.00	325.00	42.00	90.00	82.00	1863.00	1414.00	836.00	622.00	1158.00	199.00
2-isopropylmalic acid	149.40	141.50	153.83	1047.80	155.00	211.00	177.33	143.33	136.50	171.57	167.67	156.83	97.00	117.00	135.50	139.67	154.50	114.50	132.00	137.50	124.75	120.50	96.50	386.17	327.20	417.60	332.50	277.83	299.83	326.67	760.00	245.40	227.40	778.67	603.20	752.75	1269.83	184.00	87.00	246.00	218.00	339.00	440.00	2908.00	1208.00	1125.00	1450.00	734.00	1058.00
2-ketobutyric acid	3371.80	4229.83	4376.50	9192.80	5767.50	5852.17	3916.50	4312.67	4445.17	4760.43	4531.83	4453.33	6657.00	6245.50	4599.50	3006.33	2323.50	5062.50	5598.00	4085.00	3307.00	2851.00	6235.00	2488.17	2146.60	3189.00	2030.00	2433.50	3547.17	2605.83	1824.80	2271.80	2596.20	3080.17	2652.80	1614.50	2214.67	1389.00	1113.00	234.00	16.00	1287.00	130.00	476.00	978.00	3076.00	1538.00	2162.00	2740.00
2-ketoisocaproic acid	4345.60	3887.17	2972.00	6442.20	5399.67	4218.00	3533.83	4290.00	4381.67	5015.43	3812.50	4654.67	3602.50	3492.50	2257.00	3140.33	2857.00	31128.50	3210.00	3818.00	3069.50	2814.50	3670.50	13042.00	706.00	832.80	1039.50	933.67	1429.17	1030.33	760.00	1049.20	996.80	1347.17	931.40	792.50	1084.67	169.00	237.00	513.00	493.00	241.00	188.00	883.00	248.00	578.00	467.00	335.00	365.00
2-methylglyceric acid NIST	9661.00	11447.00	11370.17	6493.00	8747.67	8691.50	9188.33	9937.50	15292.83	11642.14	9777.00	8352.83	9906.00	9965.50	12843.00	12672.00	11955.50	11833.50	11817.00	11706.00	12717.25	12407.00	12849.00	305.50	370.20	268.80	214.33	328.83	187.50	191.00	197.80	218.00	294.20	156.83	189.20	188.75	219.50	58.00	67.00	192.00	81.00	83.00	65.00	435.00	158.00	236.00	171.00	216.00	182.00
31362 alkane	735.20	514.83	527.00	1168.60	821.83	571.50	368.17	847.83	519.17	596.43	542.00	582.50	620.00	587.00	512.50	575.67	1408.00	1216.00	281.00	543.00	484.50	460.50	1107.00	639.33	833.60	672.20	1107.00	1125.17	588.00	1015.33	603.00	928.00	905.40	496.50	1220.20	1066.00	781.33	294.00	335.00	1053.00	363.00	328.00	559.00	2473.00	558.00	828.00	668.00	676.00	975.00
3247 melibiose-like	109.40	122.50	126.67	429.00	266.50	179.00	113.00	192.50	141.00	243.00	163.83	102.00	153.00	92.00	142.00	116.00	234.50	87.00	150.00	156.50	125.50	125.00	134.00	212.67	137.80	188.00	172.17	157.50	177.83	143.83	127.80	181.40	157.40	154.33	185.20	153.00	130.83	47.00	62.00	286.00	68.00	70.00	93.00	435.00	108.00	169.00	137.00	139.00	191.00
3,6-anhydro-D-galactose	785.80	877.00	793.00	1319.80	823.00	810.67	939.33	775.00	1202.17	1131.57	758.33	762.50	1173.00	1034.00	1298.50	1266.00	805.50	1101.00	1164.00	1209.00	967.50	1282.50	1332.50	527.33	327.00	434.60	369.67	389.33	357.33	319.67	254.00	352.20	399.40	359.17	459.20	309.25	311.33	208.00	286.00	737.00	394.00	301.00	328.00	1729.00	368.00	502.00	381.00	339.00	440.00
3781 trehalose-like	72916.40	222651.50	68536.50	19663.20	35987.17	32503.17	7058.17	58962.50	2001.83	33390.29	5125.83	2424.83	473798.50	444270.00	401810.00	290578.67	330305.50	309722.00	118490.00	310389.00	86638.25	65344.00	58443.50	378.33	470.60	664.40	629.83	604.67	405.50	272.17	377.40	264.20	455.40	521.17	1113.00	623.00	615.50	753.00	228.00	566.00	310.00	555.00	186.00	1031.00	307.00	616.00	303.00	285.00	327.00
3^-adenylic acid	153.60	153.67	154.67	444.40	150.67	155.67	136.33	171.83	86.00	206.43	163.67	173.00	161.00	70.00	138.00	170.33	179.00	70.00	96.00	108.00	222.25	73.50	193.00	223.33	126.20	138.40	194.17	127.83	132.00	141.33	114.00	170.40	161.80	157.00	161.20	135.00	133.50	36.00	53.00	227.00	79.00	68.00	95.00	518.00	83.00	216.00	188.00	157.00	202.00
3-hydroxy-3-methylglutaric acid	260.20	261.33	205.83	486.00	222.17	163.33	252.17	167.00	269.33	390.14	225.67	234.00	290.50	256.50	253.50	193.00	218.00	243.00	339.00	245.50	271.25	327.50	244.00	261.33	135.40	128.00	159.83	146.17	181.83	159.33	115.20	173.80	149.20	143.00	2976.00	146.50	156.33	38.00	44.00	264.00	69.00	56.00	80.00	421.00	146.00	219.00	203.00	132.00	187.00
3-hydroxybutyric acid	1475.00	2459.33	1041.83	3654.00	3889.67	1371.67	1016.67	2404.67	1394.83	1077.57	2589.33	1498.67	742.00	700.00	1073.00	835.33	809.50	824.00	1134.00	912.00	998.00	925.00	822.50	1174.50	1460.60	1762.60	1358.00	1154.17	1420.33	1697.33	1413.00	1056.00	1647.80	1291.67	1765.40	1504.50	1680.33	854.00	613.00	297.00	554.00	925.00	862.00	467.00	125.00	2120.00	1855.00	152.00	2194.00
3-hydroxypropionic acid	5291.20	4664.33	3989.33	3813.80	5873.67	4878.83	4617.00	4870.33	6201.67	5017.71	4784.00	4377.33	3242.00	3091.00	4150.00	3796.67	3455.00	3935.50	4442.00	3521.50	4083.00	3803.00	3956.00	592.00	822.40	712.00	985.83	850.67	617.00	1061.67	580.80	821.80	762.60	620.83	990.40	999.00	738.50	60.00	79.00	206.00	109.00	74.00	140.00	407.00	96.00	179.00	214.00	132.00	236.00
3-phosphoglycerate	15361.60	10099.50	10582.67	35031.40	19423.17	16289.00	19200.67	13686.17	11546.67	13063.14	8907.00	18742.17	684.50	739.00	947.00	262.00	464.00	786.00	81.00	899.00	736.50	915.00	918.00	15620.17	24929.20	11315.80	7372.33	6996.67	8761.17	7540.00	9926.80	10150.80	13852.60	6958.50	7568.60	6661.25	6309.33	67.00	55.00	297.00	70.00	41.00	77.00	407.00	109.00	211.00	340.00	175.00	114.00
4713 sim to lactose with RI shift	293.20	541.83	410.17	557.20	486.17	329.00	294.50	501.83	470.00	425.14	403.00	245.50	228.00	264.50	109.00	560.67	123.50	288.00	84.00	194.00	160.50	303.00	259.00	261.50	132.60	141.80	160.00	129.17	133.33	545.67	109.20	159.80	154.40	164.83	154.20	505.50	380.67	68.00	78.00	255.00	135.00	79.00	67.00	430.00	98.00	165.00	250.00	175.00	144.00
4-aminobenzoicacid	321.60	297.00	352.00	501.00	483.00	371.67	408.33	357.00	471.00	562.57	375.83	310.00	309.50	379.50	297.00	346.33	366.00	292.00	310.00	380.50	244.75	314.00	243.00	246.50	148.60	144.60	183.00	178.00	142.33	158.50	109.20	151.60	134.20	156.50	171.40	135.50	129.17	44.00	35.00	241.00	82.00	57.00	63.00	508.00	123.00	131.00	179.00	239.00	123.00
4-aminobutyric acid minor	4266.60	6087.17	3587.33	36304.60	4495.33	4437.50	5375.50	4895.67	5834.17	6128.71	4983.67	4610.17	2753.00	2061.50	1106.50	1735.33	3014.00	2121.50	425.00	1841.50	2067.50	2622.50	1629.50	16304.83	23117.20	9247.80	11323.33	7788.83	14570.00	16474.17	35599.40	43959.20	4651.40	20567.67	26236.40	28385.25	30724.00	39.00	59.00	283.00	140.00	67.00	83.00	772.00	208.00	312.00	239.00	113.00	204.00
4-hydroxybutyric acid	1483.00	947.83	805.83	1208.40	1476.83	885.17	258.33	1584.83	930.67	911.00	1067.67	907.17	187.00	162.00	268.50	220.67	239.00	257.00	266.00	212.00	250.25	272.50	202.50	744.00	1388.80	927.40	1913.83	1985.17	743.33	1880.00	968.00	1599.60	1575.20	701.17	1900.00	1936.00	1190.50	37.00	48.00	152.00	117.00	67.00	50.00	476.00	96.00	156.00	182.00	170.00	138.00
5-aminovaleric acid	3514.20	5845.83	5592.00	2264.40	2031.50	2788.17	6133.50	1709.83	3747.50	7355.14	4376.17	3044.67	6020.50	5570.50	1444.00	12150.67	203.00	5922.00	11183.00	6449.00	6560.50	6998.00	13992.00	227.83	123.00	133.60	158.33	136.50	153.00	142.50	112.20	144.80	149.60	170.50	158.40	116.50	301.50	34.00	43.00	349.00	78.00	60.00	69.00	481.00	100.00	171.00	190.00	146.00	182.00
5^-deoxy-5^-methylthioadenosine	604.60	299.17	587.33	956.40	658.67	822.33	501.50	355.33	416.17	627.14	373.83	529.17	75.50	85.00	86.00	151.33	90.00	100.50	83.00	117.50	123.75	110.50	147.00	374.67	317.80	256.80	286.17	289.83	439.83	407.83	195.20	276.80	265.80	241.33	214.20	701.50	578.83	50.00	38.00	154.00	117.00	41.00	94.00	569.00	138.00	158.00	113.00	169.00	304.00
5-hydroxymethyl-2-furoic acid NIST	530.40	602.83	565.00	711.20	489.67	531.83	482.83	482.67	785.17	715.71	493.33	501.17	473.00	481.50	583.00	717.67	694.00	609.00	584.00	682.50	694.75	711.50	556.00	305.67	169.60	131.60	249.33	116.83	163.17	173.83	98.80	202.40	147.20	170.33	182.60	133.00	161.83	79.00	36.00	286.00	68.00	73.00	65.00	661.00	96.00	161.00	217.00	189.00	224.00
6-deoxyglucose	2030.80	2478.17	1388.67	2135.20	2797.33	2696.17	2287.83	2503.00	1220.50	2242.14	2496.50	1663.17	13175.00	11121.50	13269.00	2675.33	1984.00	10565.00	3554.00	2353.50	10530.50	2445.00	3447.50	1135.33	793.40	678.60	670.17	522.33	877.67	972.17	475.00	443.00	594.40	681.00	726.00	938.75	1212.83	51.00	102.00	1849.00	53.00	223.00	95.00	989.00	142.00	356.00	168.00	130.00	244.00
acetophenone NIST	873.80	2386.83	1889.50	1578.80	1679.50	2418.33	672.50	2955.67	1975.83	1688.29	3033.83	1261.33	327.50	788.50	402.00	307.33	292.50	386.50	115.00	196.00	258.75	260.00	206.00	1436.83	1095.80	1315.40	1613.17	1149.67	2205.83	2076.67	757.20	1326.60	1504.20	1083.83	1260.40	1724.00	1534.33	146.00	98.00	218.00	103.00	159.00	86.00	490.00	189.00	183.00	187.00	198.00	308.00
adenine	3134.00	1959.83	2607.83	3661.60	3902.67	3418.17	3063.67	2822.67	1876.83	2847.57	3436.67	3282.50	380.00	370.00	472.50	404.00	568.00	231.00	388.00	1024.00	862.00	515.50	567.00	1098.83	1164.20	1063.80	998.67	1399.67	961.33	1299.00	633.40	811.20	1153.40	514.83	1630.80	1479.25	1369.50	49.00	95.00	274.00	46.00	74.00	97.00	569.00	155.00	121.00	139.00	140.00	209.00
adenosine	1398.00	732.67	948.50	1011.40	1401.67	1369.33	1500.83	1880.33	749.33	849.29	1691.50	2166.67	217.50	183.00	294.00	295.00	390.50	115.50	283.00	614.50	853.25	257.00	292.00	325.00	250.40	403.60	395.83	287.83	292.33	313.50	132.00	140.80	366.00	206.50	260.20	272.00	276.00	57.00	50.00	274.00	90.00	64.00	53.00	550.00	148.00	136.00	231.00	106.00	182.00
adenosine-5-monophosphate	7879.40	5568.33	6445.33	11783.60	8068.33	8393.83	5928.33	7707.83	4810.50	5297.43	7992.00	8201.67	110.50	110.00	145.00	223.67	145.00	111.00	169.00	175.50	271.00	146.00	133.50	3076.00	4954.20	4370.80	3691.33	7189.83	3817.00	5475.50	3022.40	4174.00	7025.80	1988.83	5704.40	4105.25	3270.83	79.00	48.00	220.00	97.00	62.00	61.00	545.00	179.00	218.00	174.00	170.00	139.00
alanine	1135110.20	1051167.67	1156070.83	872014.40	1410155.83	1355468.50	1153966.50	1116001.00	1218823.83	1115141.14	1068907.17	1196221.67	1652880.50	1573155.00	1398147.00	1159995.00	1449977.50	1477634.50	1534127.00	1319824.50	1526232.50	1483612.50	1733394.00	67310.50	68875.00	58750.40	62564.67	59269.50	78469.33	62110.50	32896.80	37921.20	65626.60	40755.67	41538.40	40192.50	37594.17	9658.00	2965.00	590.00	2926.00	7764.00	6950.00	703.00	7270.00	15260.00	11313.00	8909.00	21517.00
alanine-alanine	19148.80	17053.00	11392.67	9698.00	11536.50	16885.33	15029.33	14065.67	13829.00	15145.00	10358.00	13977.00	5829.50	6130.00	6486.00	4985.00	4838.00	4957.00	4122.00	4922.00	3327.00	3334.50	3294.00	1156.50	473.20	598.40	1580.50	632.17	1960.33	1236.50	898.60	1171.80	1808.80	3795.50	707.00	801.00	467.17	84.00	40.00	250.00	103.00	77.00	97.00	532.00	156.00	231.00	306.00	139.00	212.00
alloxanoic acid	160.20	94.83	120.50	943.40	127.50	139.33	133.50	123.67	109.50	279.14	197.83	120.83	58.00	108.00	114.50	118.33	100.50	92.50	71.00	83.00	107.00	82.00	133.00	408.50	235.00	333.00	238.83	275.33	468.33	295.33	252.00	316.60	336.00	485.50	251.00	267.00	369.00	72.00	33.00	248.00	67.00	47.00	65.00	398.00	129.00	123.00	168.00	157.00	168.00
alpha-aminoadipic acid	270.40	298.33	219.50	496.80	238.33	276.33	434.50	335.83	208.50	362.14	273.67	273.67	195.50	162.00	234.50	1571.00	989.00	215.50	1808.00	336.00	957.75	284.00	1368.00	286.17	189.40	139.60	233.00	159.83	161.50	186.83	107.20	163.80	189.20	153.00	250.60	178.50	274.17	61.00	56.00	342.00	84.00	98.00	77.00	541.00	98.00	223.00	196.00	110.00	124.00
alpha-ketoglutarate	533.00	428.00	260.17	1312.40	425.83	327.33	304.17	429.00	345.50	393.43	407.50	373.17	119.00	101.50	163.00	192.33	222.00	109.50	127.00	141.00	228.25	123.00	160.00	731.50	778.40	357.00	1838.33	447.67	949.67	1451.00	589.80	389.60	776.60	807.83	610.40	503.25	335.17	68.00	53.00	253.00	51.00	56.00	65.00	430.00	99.00	131.00	136.00	99.00	116.00
aminomalonate	7418.40	7451.67	3512.50	4361.60	3171.17	4294.67	9407.00	8415.33	6934.33	6550.00	3913.83	4639.83	1539.50	1142.50	970.50	1187.00	1244.00	1123.00	1528.00	2466.00	1654.25	1445.50	1821.50	437.67	590.60	501.40	432.67	451.33	388.67	411.83	534.60	410.20	357.60	367.33	620.20	331.25	276.50	172.00	619.00	274.00	421.00	371.00	427.00	892.00	578.00	520.00	477.00	452.00	385.00
arachidic acid	1208.60	895.33	1169.83	1766.20	1338.67	1213.50	951.00	1215.83	804.33	1412.57	1028.83	1392.17	222.00	386.00	412.50	548.00	1265.00	223.00	799.00	491.50	677.00	363.00	370.50	1023.00	872.80	1189.00	1275.33	1047.50	1046.67	1069.33	746.40	1280.40	1829.40	1118.33	1360.20	1159.25	1607.33	293.00	310.00	618.00	247.00	132.00	206.00	1035.00	270.00	500.00	774.00	394.00	566.00
asparagine	10659.80	26610.00	17404.33	11042.80	7478.00	9866.83	14892.00	12434.17	16301.17	16170.86	10802.83	8359.50	42014.00	39940.50	48797.00	46394.67	52530.50	50478.00	34335.00	38763.50	26478.50	27892.50	25493.00	4402.33	1274.80	14333.60	6585.67	6089.33	3631.00	1547.83	8463.00	5643.80	7608.20	3700.50	1585.60	4952.25	4155.67	297.00	425.00	1449.00	493.00	636.00	396.00	2542.00	1044.00	1281.00	1107.00	973.00	866.00
aspartic acid	108947.00	172539.17	94711.17	57717.40	81670.83	105990.33	114382.00	111408.50	27048.17	41362.86	93587.67	109743.00	105027.00	114700.50	41245.50	28738.00	28426.50	27351.50	16797.00	9534.00	28573.75	8349.50	13625.00	9705.83	9853.80	16457.80	8434.67	16462.00	11689.83	11318.67	11102.80	18899.60	23209.20	9079.33	8685.60	12712.50	5948.00	162.00	117.00	529.00	201.00	140.00	144.00	851.00	332.00	351.00	429.00	387.00	282.00
behenic acid	588.20	548.83	574.67	1493.40	725.33	655.00	706.17	718.50	421.33	617.00	667.00	686.33	361.50	321.50	370.00	481.00	1870.50	449.50	539.00	1124.00	504.50	1219.50	518.50	553.83	573.80	669.80	696.67	695.50	593.50	580.67	397.20	694.80	736.80	582.17	944.20	659.50	554.83	223.00	219.00	555.00	255.00	185.00	244.00	1678.00	438.00	495.00	495.00	263.00	536.00
benzoic acid	2737.60	1842.33	1924.33	5249.40	2266.67	2608.17	1509.50	2378.67	2813.67	2095.57	2004.17	2262.83	782.50	684.50	1685.50	1722.67	1223.50	1022.50	1659.00	927.00	1352.75	1031.50	957.00	1240.33	2530.60	1755.00	2279.83	2481.67	1616.33	2524.50	1817.00	2668.60	1758.00	1552.17	3223.40	3724.50	1704.00	244.00	160.00	337.00	352.00	313.00	310.00	532.00	636.00	700.00	815.00	756.00	977.00
benzylamine	277.40	222.83	265.83	884.20	178.83	303.50	342.83	253.33	195.17	413.43	344.67	295.00	217.50	221.50	267.00	224.00	223.00	257.50	318.00	249.50	273.00	263.00	228.00	448.17	214.80	280.20	207.00	263.83	283.67	223.67	159.00	203.40	223.00	250.67	193.20	140.00	240.00	85.00	89.00	239.00	141.00	137.00	129.00	453.00	201.00	296.00	418.00	249.00	282.00
beta-alanine	1111.80	911.50	1460.67	2561.20	2441.67	2174.83	1047.17	1169.83	1053.00	1523.43	1490.67	1181.50	575.00	398.50	512.50	499.33	610.00	469.00	521.00	444.00	542.25	466.00	534.50	702.83	496.80	593.60	466.33	529.83	408.17	516.50	437.20	643.60	591.60	384.00	429.40	538.25	521.50	240.00	180.00	410.00	379.00	334.00	300.00	1193.00	610.00	798.00	568.00	699.00	274.00
beta-sitosterol	160.40	117.17	167.83	518.40	174.33	149.17	174.83	152.50	107.00	290.00	157.50	170.00	623.00	378.50	845.00	778.67	810.00	804.50	312.00	627.50	799.75	641.00	754.00	259.83	133.20	184.20	231.50	168.67	160.33	170.17	96.40	134.60	192.20	142.83	181.40	137.50	140.83	699.00	424.00	1327.00	918.00	892.00	880.00	5931.00	1661.00	2002.00	1212.00	1812.00	1957.00
bisphosphoglycerol NIST	289.00	512.33	344.67	991.00	351.83	206.83	434.00	411.33	326.17	409.86	302.83	250.50	122.00	120.50	148.50	152.67	145.50	124.00	213.00	125.50	155.00	133.50	141.50	245.00	239.20	270.40	242.83	236.50	288.33	253.50	197.20	225.20	280.60	220.17	234.40	224.75	175.67	48.00	67.00	271.00	98.00	66.00	61.00	508.00	135.00	241.00	139.00	87.00	186.00
butane-2,3-diol NIST	256.20	230.83	378.20	840.00	398.67	284.83	271.67	313.17	673.83	394.71	593.50	317.00	2349.00	2406.00	6991.00	4300.33	911.50	2427.00	4242.00	1625.50	4350.00	1982.50	2505.00	332.20	309.60	322.00	470.17	412.83	385.50	420.83	349.60	463.75	312.00	266.60	381.00	476.25	218.83	66.00	271.00	199.00	405.00	301.00	402.00	578.00	408.00	861.00	616.00	544.00	262.00
butyrolactam NIST	1720.80	1908.50	1389.83	8387.80	2049.50	1488.67	1820.00	1734.67	2090.00	1837.00	1767.17	1582.33	2159.00	2197.00	2915.50	2150.33	2156.00	2497.50	3090.00	2641.00	2630.75	2689.00	2957.00	2450.00	5404.00	1424.00	1676.50	1562.67	2107.67	3010.50	4293.40	6384.00	834.40	2615.67	5148.60	5311.75	4497.17	130.00	101.00	225.00	122.00	118.00	137.00	569.00	322.00	326.00	289.00	142.00	441.00
cellobiose	3067.20	3957.00	880.50	1757.60	3767.67	2144.83	3045.67	3420.00	1323.67	3299.14	2982.83	2742.67	3650.00	3852.00	1166.50	1441.33	3981.00	3934.00	268.00	4251.50	3574.50	1860.50	4679.00	227.83	167.00	148.20	195.00	179.33	156.17	152.50	119.40	163.40	154.60	161.50	213.80	152.75	145.33	57.00	53.00	213.00	84.00	71.00	79.00	532.00	123.00	145.00	199.00	139.00	133.00
citramalic acid	294.00	297.50	282.50	1463.40	289.33	300.00	293.17	290.17	340.00	397.00	284.50	257.17	182.00	246.00	223.50	287.00	214.00	250.00	283.00	297.00	260.75	335.50	254.00	743.33	453.40	629.20	3447.17	629.33	699.83	1403.67	2096.40	394.20	440.00	3900.67	1594.40	2861.75	2251.67	52.00	50.00	283.00	122.00	400.00	699.00	2464.00	132.00	839.00	3406.00	115.00	96.00
citric acid	3702.20	4264.67	2008.67	13168.20	3135.50	2734.83	2222.33	2557.67	2673.50	2211.86	2652.00	2655.67	8836.00	8609.00	7433.50	10324.33	10384.50	9577.00	9944.00	10995.50	10853.00	12443.00	11653.50	5064.67	7602.00	5882.20	7568.00	5561.17	6259.83	10680.00	3434.20	2348.40	6797.20	2789.67	7112.40	4284.75	5581.83	364.00	194.00	1053.00	353.00	417.00	551.00	8039.00	2163.00	1670.00	2162.00	1011.00	1768.00
citrulline	6811.80	8122.00	5360.50	6080.20	9012.83	5993.50	5083.50	6834.33	8458.83	7457.43	6590.83	6635.33	5328.50	5853.50	6401.50	8716.33	4791.50	5930.50	1652.00	6277.50	7226.25	6039.00	5169.00	302.00	141.20	289.20	235.00	267.50	263.00	239.00	209.40	294.40	342.40	224.67	250.80	175.00	143.00	131.00	60.00	161.00	71.00	46.00	67.00	361.00	102.00	169.00	247.00	229.00	133.00
conduritol-beta-epoxide	579.00	744.50	583.67	617.00	638.17	493.17	598.00	591.33	897.33	851.43	640.00	471.33	594.50	537.50	682.50	599.33	651.00	571.00	485.00	669.50	641.75	572.50	601.50	271.17	116.40	163.80	186.00	163.00	152.00	173.67	128.60	115.00	175.40	133.33	182.60	149.75	136.83	56.00	62.00	201.00	62.00	81.00	67.00	398.00	110.00	143.00	193.00	139.00	231.00
cystathionine	1141.80	1663.17	1293.83	1108.40	1297.83	1291.50	648.17	724.17	1374.83	1673.43	1002.67	1011.17	1514.00	1452.00	1322.50	1158.00	1643.00	1514.00	354.00	849.50	1095.25	1291.00	1374.00	225.83	114.20	166.40	156.67	148.83	144.00	173.17	114.20	152.40	186.20	144.50	167.00	118.00	134.83	90.00	52.00	330.00	53.00	61.00	62.00	495.00	87.00	160.00	139.00	145.00	171.00
cysteine	2201.60	1887.50	1159.67	1933.80	983.00	1094.00	2465.33	1195.83	1139.50	1777.00	1171.17	1519.17	1402.50	1060.00	958.00	1475.00	1498.00	1528.00	1492.00	1126.00	1322.50	1286.50	1620.50	730.83	729.80	220.00	669.33	266.50	319.00	315.67	304.20	522.80	384.60	468.17	205.80	317.50	319.67	62.00	56.00	173.00	78.00	81.00	113.00	462.00	132.00	155.00	238.00	99.00	146.00
cysteine-glycine	2676.80	2541.50	1993.67	2623.60	2771.50	1967.17	3062.00	1861.67	2097.17	2230.86	1640.67	1725.17	1253.50	1598.50	1250.50	1766.33	1647.00	1682.00	2241.00	1634.50	1415.75	1808.00	2461.00	1452.67	608.80	881.00	1225.83	917.83	1247.67	776.67	602.80	505.20	1767.00	2088.67	1076.80	1416.75	1569.67	581.00	124.00	489.00	125.00	148.00	177.00	698.00	293.00	281.00	295.00	346.00	365.00
cytidine-5-monophosphate	4638.80	5668.33	3722.00	7271.40	12495.50	6226.83	5717.33	5772.00	10193.00	10139.43	17358.50	9582.50	2261.00	4206.00	4991.00	3861.00	2799.00	2131.50	3816.00	2510.50	2462.00	2298.00	4394.00	644.50	594.20	582.40	530.17	545.50	550.67	549.33	372.00	528.20	548.80	483.17	1608.60	397.50	466.17	160.00	187.00	491.00	155.00	141.00	129.00	901.00	242.00	377.00	337.00	275.00	300.00
cytosin	446.40	394.67	218.33	517.40	197.50	239.50	296.67	410.50	226.17	339.43	275.50	268.50	163.00	171.00	178.00	144.00	120.00	96.00	210.00	185.50	199.50	118.00	189.50	264.17	180.40	170.60	210.83	187.50	188.83	186.17	143.00	154.00	228.40	187.83	211.60	177.25	181.17	65.00	47.00	225.00	84.00	75.00	91.00	582.00	88.00	145.00	155.00	165.00	237.00
deoxypentitol	10930.00	16010.00	4935.00	10959.80	8110.00	7260.33	10070.17	7157.00	10982.50	15386.29	9912.67	7356.67	12893.00	12746.00	4860.00	8751.33	7907.00	12394.50	2604.00	10034.00	8087.25	12835.00	12061.50	2354.67	1080.40	2166.80	5181.17	1778.33	4515.17	3859.00	2476.80	3957.40	5220.40	5973.00	1996.20	1261.50	937.17	232.00	87.00	208.00	90.00	208.00	141.00	4641.00	986.00	523.00	2181.00	255.00	738.00
diglycerol	1362.80	1724.17	1575.00	8998.00	1902.33	1951.83	1797.50	1212.67	1988.17	1968.57	2069.50	2521.67	3969.50	5327.00	3276.50	4602.00	3169.00	2840.50	1364.00	4428.00	1601.25	3257.50	927.50	2150.17	4916.60	1843.40	2889.17	3443.00	2730.67	2994.33	1876.60	1529.40	3755.60	1919.83	3354.60	1860.75	690.00	74.00	76.00	239.00	174.00	153.00	128.00	550.00	229.00	168.00	1356.00	182.00	177.00
enolpyruvate NIST	394.80	264.17	241.83	637.20	390.83	370.33	245.50	337.83	227.83	360.29	337.17	298.50	110.50	74.00	125.50	143.00	115.00	107.00	123.00	112.50	121.50	119.00	133.50	404.00	321.20	242.20	503.00	449.00	288.83	516.17	236.80	422.60	393.40	285.17	442.80	491.00	372.33	48.00	35.00	271.00	86.00	75.00	80.00	481.00	100.00	171.00	124.00	147.00	177.00
epsilon-caprolactam	1924.80	1551.17	1122.67	3324.60	1276.33	1475.67	1311.33	1908.17	1331.17	1593.71	1524.67	2283.83	16722.50	192.00	190.50	183.00	220.50	189.50	163.00	146.00	10658.00	20292.50	285.00	859.50	1621.00	1347.40	2473.00	2191.67	1805.17	2372.83	797.40	2412.80	2373.80	1561.67	1904.00	2401.75	1162.50	58.00	72.00	176.00	99.00	91.00	89.00	481.00	89.00	186.00	257.00	127.00	138.00
erythritol	716.20	642.50	638.83	802.00	647.17	570.67	658.17	767.17	889.00	672.86	536.83	527.67	521.50	503.00	646.50	707.67	613.00	616.00	692.00	681.00	650.25	699.00	643.50	381.50	155.80	188.60	196.33	160.17	180.17	168.83	158.60	185.60	250.60	184.17	194.00	175.50	200.83	68.00	36.00	257.00	36.00	93.00	65.00	592.00	129.00	110.00	195.00	170.00	250.00
ethanolamine	47444.60	51243.33	42541.83	50636.60	52660.50	29258.83	54226.67	57052.83	53099.00	47459.00	70152.67	37079.83	26871.00	26537.00	24252.50	23038.00	31476.00	34697.50	15241.00	25340.50	30351.00	32637.50	23816.50	7365.17	7650.00	5502.20	4449.83	4566.83	3896.17	6198.17	6272.60	8683.40	4250.40	7165.83	6670.00	7137.25	7444.17	104313.00	170680.00	3148.00	1874.00	1627.00	1633.00	758.00	267441.00	5803.00	5120.00	161713.00	84278.00
fructose	376.40	278.17	294.17	1083.40	361.33	318.50	298.33	305.33	258.50	446.86	304.83	265.50	289.00	169.50	239.50	260.33	440.50	371.50	232.00	221.00	222.50	442.00	174.50	507.33	263.60	347.60	327.83	241.33	350.50	348.17	249.80	246.20	362.00	323.00	326.60	339.50	638.83	107.00	91.00	541.00	128.00	76.00	88.00	888.00	255.00	309.00	450.00	262.00	345.00
fructose-1,6-bisphosphate	201.00	137.50	174.17	711.80	194.83	188.33	166.67	167.83	104.33	257.29	161.00	158.83	99.50	103.00	114.50	144.67	101.50	87.50	87.00	105.50	98.25	142.50	144.00	446.83	424.40	532.60	329.17	765.00	331.17	355.50	208.20	303.20	706.00	305.17	387.40	260.25	235.67	74.00	54.00	157.00	86.00	100.00	94.00	411.00	156.00	173.00	171.00	123.00	151.00
fructose-6-phosphate	504.40	615.83	754.00	1456.20	1012.67	544.67	213.00	568.67	233.17	377.29	331.00	206.50	95.50	147.00	164.50	163.67	94.00	102.50	277.00	113.50	206.50	139.50	138.00	834.50	1163.20	1633.80	749.50	1602.50	655.00	712.00	524.00	437.40	1645.80	705.17	768.00	490.00	411.17	81.00	77.00	220.00	90.00	104.00	57.00	398.00	87.00	110.00	121.00	125.00	136.00
fumaric acid	12099.40	11051.33	8251.83	7402.20	10537.67	13039.00	13327.67	11813.67	7914.67	9325.57	9346.33	9067.17	8967.00	6777.00	7259.00	10813.00	12566.00	14731.50	4998.00	2699.00	6380.75	2834.50	5024.00	530.17	789.40	722.00	964.33	966.33	511.17	836.17	716.00	842.40	784.40	323.17	1032.40	931.75	674.00	154.00	85.00	204.00	115.00	177.00	84.00	545.00	202.00	238.00	297.00	232.00	148.00
galactinol	7668.80	8609.00	5506.83	5714.00	8547.83	6327.50	7095.83	7834.00	6761.00	8226.29	6826.83	6342.83	6499.00	6283.00	4938.00	6066.33	5871.50	7051.50	4580.00	5868.50	6596.50	6336.50	6263.00	1183.33	650.80	842.60	885.00	691.00	872.33	867.67	556.40	683.20	820.60	789.50	860.80	697.25	694.67	261.00	237.00	1275.00	332.00	282.00	362.00	2468.00	604.00	959.00	751.00	730.00	818.00
galactose	3811.40	4605.50	3672.33	5673.60	2535.83	2062.33	2743.17	7288.33	458.17	1804.57	653.17	406.50	471.50	586.00	277.00	1481.00	143.50	144.50	23919.00	4863.00	3035.00	704.50	299.50	19205.67	18142.60	115941.00	13819.67	46864.67	35305.33	11579.83	249.00	537.80	14449.80	825.00	3101.80	2838.50	5406.67	116271.00	95.00	243.00	163.00	150.00	98.00	458.00	98.00	179.00	148.00	379.00	151.00
gamma-aminobutyric acid	3997.40	5153.50	5401.33	25327.80	2825.67	10287.33	4929.00	3682.67	6019.17	7142.00	5684.33	4206.00	18037.50	25168.00	14541.50	27218.33	21457.00	32378.50	39744.00	18092.00	26019.25	19000.50	26286.00	4120.00	10059.80	1544.60	559.67	1732.50	1397.00	1010.17	7692.00	4744.80	306.40	1179.50	6821.20	7833.00	6135.17	75.00	44.00	283.00	84.00	103.00	106.00	444.00	198.00	246.00	321.00	328.00	262.00
gluconic acid	142.00	96.33	127.67	501.60	142.83	156.67	144.33	123.17	89.33	182.43	165.33	145.17	114.00	148.50	117.00	156.33	189.50	66.50	192.00	197.00	144.75	163.00	115.00	270.67	181.80	283.80	188.67	186.17	262.50	222.83	113.00	159.40	236.60	184.50	195.60	156.00	204.83	64.00	107.00	279.00	193.00	164.00	188.00	527.00	118.00	278.00	83.00	256.00	121.00
glucose	7413.20	10449.00	9301.50	10522.60	6415.17	8752.00	5795.83	13056.00	4702.50	5835.00	3707.33	2933.50	6224.00	5794.50	8374.50	25661.67	7149.50	6276.00	31994.00	13452.50	19135.25	7260.00	8770.00	5794.50	26341.20	110204.80	20417.17	68316.67	44348.50	17456.17	919.60	1576.40	21649.00	2041.00	5219.40	4909.50	8489.17	118544.00	348347.00	607926.00	441796.00	447384.00	387242.00	5774.00	733.00	50503.00	796.00	37645.00	944.00
glucose-1-phosphate	803.40	672.17	737.83	6902.40	649.50	604.67	668.83	706.00	771.67	684.29	687.83	627.67	607.00	703.00	529.00	761.33	833.00	716.50	833.00	753.00	684.50	761.00	788.50	1334.17	1917.00	1795.60	1509.00	1999.83	1576.33	1580.83	1333.40	1202.20	1693.40	1476.83	2062.40	1464.25	1505.33	102.00	110.00	262.00	73.00	110.00	111.00	592.00	154.00	219.00	212.00	175.00	181.00
glucose-6-phosphate	2205.20	2045.50	1532.50	6257.60	1752.50	1090.50	378.33	871.50	599.83	905.57	441.50	180.83	96.50	144.00	101.00	170.33	198.50	117.50	90.00	173.00	235.25	98.50	158.00	2771.33	4838.60	3735.20	2076.83	1779.33	1315.83	1658.33	2472.60	796.00	3749.40	2650.50	1331.00	1717.00	1871.17	83.00	51.00	330.00	92.00	100.00	86.00	435.00	120.00	155.00	123.00	143.00	158.00
glutamic acid	446116.80	454733.67	463357.67	845004.80	405373.17	452586.50	441468.50	456593.00	430746.50	415999.43	452486.00	431781.00	420234.50	413296.00	387092.50	424719.33	436397.00	441517.00	297656.00	376441.00	398148.50	449968.50	448019.50	185854.83	282628.00	67098.00	251105.00	145117.17	250044.33	288134.00	415270.20	422558.60	189216.40	343213.17	234168.00	334484.50	278580.83	5897.00	362.00	410.00	705.00	4294.00	7003.00	126222.00	35497.00	21253.00	55465.00	11105.00	30535.00
glutamine	26136.00	25083.33	23812.83	23799.00	44492.00	43017.33	33460.50	29427.67	22572.67	22757.86	39299.17	37932.00	2960.50	2454.00	2866.50	3577.67	1317.50	640.50	5927.00	4140.00	3134.25	2044.00	3126.00	1707.33	470.20	2077.60	2447.33	2345.17	2842.50	2101.00	1313.80	1800.00	2089.00	4487.33	1054.40	922.75	771.00	89.00	114.00	510.00	131.00	160.00	128.00	800.00	282.00	386.00	310.00	245.00	335.00
glutaric acid	206.80	94.50	204.50	518.00	263.17	281.83	174.83	108.67	210.83	359.86	288.17	257.83	76.50	106.50	153.00	127.00	84.00	131.00	47.00	61.50	121.50	178.50	126.50	258.83	146.40	100.00	204.50	134.83	144.83	158.67	113.80	181.40	197.80	171.50	196.20	124.00	153.67	33.00	57.00	211.00	71.00	87.00	106.00	610.00	149.00	123.00	207.00	205.00	181.00
glutathione	309.40	137.17	183.00	397.20	209.50	222.50	146.50	137.17	156.50	292.29	201.17	282.17	117.50	147.50	155.50	140.33	120.00	90.00	103.00	189.50	176.25	161.00	139.50	333.83	459.20	201.60	398.00	559.67	335.33	307.00	174.40	244.20	397.20	364.00	233.40	452.00	589.17	85.00	79.00	342.00	60.00	70.00	77.00	342.00	122.00	113.00	131.00	186.00	244.00
glyceric acid	2596.40	3398.83	2199.67	3148.00	2295.50	1977.33	1360.17	1801.50	581.83	1794.14	1885.00	1655.50	3566.50	3627.00	4596.50	2720.33	3743.50	3628.00	1254.00	1753.00	1485.50	2552.00	2659.50	827.00	1598.60	666.20	466.33	698.00	725.17	917.33	726.80	699.60	677.20	443.17	877.00	945.00	984.00	65.00	76.00	173.00	182.00	74.00	84.00	462.00	142.00	231.00	330.00	315.00	244.00
glycerol	16716.60	17785.83	16518.50	226936.40	18967.33	24800.00	20482.50	20145.50	19265.67	20897.71	26642.00	25344.17	12586.00	12093.50	21441.00	23369.33	10928.00	10664.00	23612.00	22742.50	23633.00	25101.50	24725.00	72732.67	66190.00	44575.60	45715.83	58936.50	63473.17	56251.50	53965.00	42101.40	42299.80	65418.17	71817.60	65513.50	65092.17	181.00	279.00	187.00	32142.00	30254.00	30473.00	25354.00	527.00	71000.00	76249.00	394.00	237.00
glycerol-3-galactoside	366.00	501.17	3445.00	4219.40	9189.17	7589.00	1017.50	980.00	1698.50	2422.29	3466.33	3368.00	813.00	641.50	1142.00	636.00	632.00	872.00	362.00	735.50	326.75	690.50	767.00	275.17	199.60	222.60	186.67	237.17	193.33	177.00	123.20	167.40	207.80	170.67	175.40	165.75	169.33	50.00	34.00	342.00	56.00	65.00	63.00	439.00	148.00	224.00	235.00	116.00	98.00
glycerol-alpha-phosphate	664.20	774.67	402.83	5000.80	797.50	776.50	1224.33	895.33	293.83	469.57	823.50	847.50	570.50	1951.50	115.00	188.67	166.50	170.00	177.00	229.00	244.50	162.50	241.50	1155.17	2475.00	1339.20	1395.67	1735.67	1269.00	1636.50	951.00	670.20	1753.60	803.83	1688.40	748.25	731.50	73.00	52.00	180.00	93.00	57.00	52.00	564.00	150.00	208.00	134.00	116.00	133.00
glycine	160365.60	161790.83	155372.83	202076.60	105883.17	120590.67	211128.83	193648.00	167378.50	182353.57	148552.17	124561.50	269212.50	255602.50	228165.50	271933.00	196582.00	220709.00	713400.00	435218.00	314359.75	264205.50	344133.50	33939.83	60802.60	49437.00	40084.67	45449.00	36442.33	34412.17	45442.80	41066.80	29712.20	31409.00	57865.60	27810.00	20817.00	14392.00	22614.00	667.00	32610.00	26961.00	25379.00	5871.00	34287.00	27817.00	17930.00	21223.00	13370.00
glycolic acid	2628.60	2073.67	2603.50	3492.60	3935.17	3510.83	840.67	1813.67	1935.17	2189.43	3142.83	3219.17	1841.50	1681.00	1789.00	1029.33	1673.00	1929.00	503.00	662.50	1531.25	1965.50	2316.00	763.83	1272.20	1180.40	1353.83	1164.00	993.17	1360.50	835.80	1291.40	1231.80	896.50	1362.20	1337.75	879.83	74.00	68.00	403.00	112.00	159.00	144.00	693.00	155.00	361.00	214.00	178.00	221.00
glycyl-proline	1858.20	2137.83	62303.50	1929.80	3388.67	1895.83	4161.17	3655.33	12111.00	5527.43	3298.83	2014.17	14076.00	1184.00	18215.00	13120.33	21059.00	14110.00	987.00	2428.00	2536.50	2906.00	2519.00	3094.00	362.20	1580.80	141.00	279.17	151.50	128.83	108.60	147.80	346.40	173.50	254.00	131.50	138.50	80.00	42.00	264.00	73.00	72.00	69.00	347.00	133.00	140.00	129.00	140.00	206.00
glycyl tyrosine	1402.40	2294.33	3192.50	1158.00	1787.67	1227.00	1251.00	1712.67	1837.33	1876.29	1354.00	927.17	2605.50	2809.00	2240.50	2000.67	2259.50	2844.00	1133.00	2292.00	2549.25	2293.00	2476.50	220.00	133.40	154.60	163.83	126.83	159.67	148.17	105.60	146.00	176.60	148.00	149.40	152.75	122.83	61.00	47.00	180.00	133.00	93.00	77.00	435.00	156.00	125.00	156.00	178.00	134.00
guanidinosuccinate	512.20	669.33	342.67	706.60	528.33	404.67	467.33	463.00	560.17	687.86	589.50	384.00	134.00	74.50	375.00	273.00	399.50	343.00	185.00	326.00	330.25	389.50	335.00	225.50	138.00	194.80	189.50	132.50	210.83	172.33	108.40	160.80	167.00	173.67	152.00	163.00	136.50	57.00	38.00	169.00	71.00	68.00	75.00	564.00	102.00	96.00	132.00	162.00	121.00
guanine	2594.40	1661.83	1926.00	1223.00	891.00	764.67	993.83	1278.17	2983.50	1974.14	661.67	989.00	1045.00	871.50	714.50	866.67	1030.00	813.00	623.00	912.50	916.75	370.00	805.50	374.67	203.20	253.20	573.83	287.00	410.67	474.00	116.40	152.20	220.00	162.17	364.00	237.75	215.00	69.00	62.00	271.00	96.00	72.00	54.00	370.00	166.00	174.00	147.00	153.00	211.00
guanosine	1426.00	724.33	928.83	800.40	518.50	461.00	800.83	1078.83	833.83	755.14	451.00	967.50	93.00	93.50	160.50	206.00	155.50	110.50	338.00	169.00	356.25	112.50	105.50	240.67	153.60	183.00	255.17	182.00	205.33	226.67	112.00	154.80	165.80	143.83	167.60	124.50	151.67	46.00	58.00	370.00	72.00	77.00	74.00	379.00	114.00	148.00	172.00	210.00	138.00
heptadecanoic acid	1151.40	865.33	1182.50	3548.20	1313.33	1225.17	1194.33	1201.17	1493.00	1637.14	1433.33	1592.67	1259.50	1215.00	1760.00	2405.33	14382.00	1440.00	2648.00	1748.00	1684.25	1519.00	1691.50	857.33	955.20	1417.60	1285.00	1139.83	1012.33	1329.67	837.80	1144.40	2100.20	1238.67	1477.40	1091.00	1306.17	261.00	254.00	552.00	161.00	157.00	172.00	1045.00	371.00	381.00	775.00	311.00	486.00
hexitol	1186.00	704.00	508.17	963.40	1626.83	791.33	221.50	1372.83	612.00	902.43	1121.17	1220.33	224.50	250.00	150.50	198.00	822.50	212.50	89.00	167.00	206.75	190.00	185.00	277.67	134.80	154.00	152.17	152.17	151.33	162.17	165.40	147.00	179.60	154.50	181.40	158.50	142.17	91.00	1009.00	1678.00	86.00	97.00	93.00	319.00	107.00	166.00	120.00	117.00	219.00
hexose-6-phosphate	349.40	332.00	394.00	658.00	611.67	544.33	273.00	371.67	342.17	391.29	299.67	268.00	173.00	90.00	87.50	116.67	112.50	106.00	107.00	87.00	106.25	177.00	132.00	451.50	503.20	493.80	342.33	371.50	301.00	270.33	211.00	280.20	324.80	289.67	246.00	221.50	267.17	58.00	48.00	232.00	75.00	80.00	69.00	592.00	94.00	140.00	115.00	143.00	244.00
histidine	123868.40	144199.33	125133.50	81409.20	148969.50	123759.17	167518.17	127295.50	162188.00	182584.29	127797.33	147283.00	33851.50	28476.00	103200.00	110057.33	103839.00	106549.50	66563.00	124423.50	123084.75	125070.50	132737.00	1326.00	1046.00	948.60	662.17	1285.00	1032.17	726.83	731.20	1103.20	1390.00	1034.50	741.80	1354.25	2114.83	959.00	2109.00	3768.00	2562.00	2610.00	2303.00	1512.00	247.00	816.00	325.00	505.00	310.00
homocystine	603.00	880.67	437.67	1430.60	556.50	500.17	363.50	472.00	696.00	566.43	407.17	488.17	581.00	539.00	622.00	628.00	476.00	621.50	297.00	519.50	613.75	572.00	611.50	656.50	254.00	309.20	441.50	535.67	348.00	439.33	381.80	462.60	388.20	666.67	684.00	882.25	1605.50	73.00	57.00	201.00	40.00	42.00	65.00	356.00	135.00	163.00	137.00	156.00	123.00
homoserine	2538.40	2661.50	2057.33	1816.20	1657.00	2205.50	2127.33	2231.83	2257.50	2305.00	2098.67	2340.00	2190.50	2176.50	1841.50	1985.33	2286.00	2292.00	1884.00	2266.00	1957.75	2125.50	2190.50	475.17	404.80	270.40	343.00	488.17	478.17	462.00	214.00	241.80	287.60	307.00	392.80	621.00	384.67	36.00	54.00	241.00	101.00	66.00	86.00	513.00	157.00	176.00	203.00	145.00	163.00
hydroxycarbamate NIST	12250.80	12833.00	6601.50	30414.60	15969.67	14389.67	10931.17	17145.50	9571.67	10075.00	15666.83	15428.17	467.00	343.00	420.50	374.33	511.00	584.00	196.00	502.50	472.25	572.00	542.50	5845.83	9439.20	5347.20	10031.33	10695.17	9820.50	11430.00	7353.60	7356.20	10427.60	8620.83	10581.80	10083.25	9895.50	421.00	479.00	197.00	683.00	687.00	780.00	638.00	1163.00	1572.00	1275.00	1081.00	1634.00
hydroxylamine	74432.40	59150.50	41682.33	395094.40	92593.00	84625.83	57591.67	78956.50	47362.00	53970.86	87709.83	85477.50	6916.00	7582.00	5225.50	2542.33	6128.50	6682.50	216.00	6842.00	6041.50	7413.50	5792.50	109105.17	151204.40	159498.20	187071.50	166068.33	173910.83	184532.50	124472.60	170382.60	164207.40	156162.83	173458.00	150605.00	124266.50	11689.00	9865.00	955.00	11634.00	13525.00	10552.00	416.00	16542.00	29755.00	16305.00	20328.00	26758.00
hypoxanthine	23228.80	35063.67	42660.67	27463.80	48225.67	29187.83	25227.33	22518.00	26974.67	32834.14	32529.67	20787.33	24629.50	25104.00	20340.50	17544.67	21014.50	20704.50	9664.00	14663.00	8828.50	8640.50	8976.50	3093.17	4430.60	4301.20	2529.67	4421.50	4115.00	3410.50	1226.20	1859.00	7068.60	1656.50	3808.20	1245.00	875.67	76.00	58.00	157.00	80.00	79.00	74.00	495.00	71.00	166.00	206.00	127.00	171.00
inosine	4295.00	2863.83	3799.67	2329.40	4434.33	4137.33	4021.83	4562.17	1958.50	2258.29	3118.67	4016.83	155.00	125.50	226.00	125.33	224.50	108.50	1527.00	662.50	1166.00	116.50	140.00	461.83	213.80	652.60	425.33	228.17	346.50	266.67	104.80	116.80	421.40	201.17	178.80	133.25	166.83	34.00	43.00	281.00	77.00	64.00	74.00	421.00	114.00	118.00	118.00	140.00	197.00
inosine 5^-monophosphate	415.60	416.33	315.33	801.60	461.50	1013.33	352.50	434.50	292.17	485.86	401.50	335.67	111.00	135.50	353.00	253.33	186.50	213.50	384.00	361.50	410.75	162.50	196.50	248.67	356.00	412.20	259.50	370.83	243.33	238.67	105.60	172.20	388.40	164.33	261.00	152.25	153.50	50.00	73.00	295.00	76.00	65.00	61.00	527.00	118.00	101.00	172.00	178.00	154.00
isohexonic acid	115.80	94.67	279.00	493.80	161.67	139.67	128.33	128.17	89.33	175.86	160.67	153.17	114.50	148.50	119.50	130.00	189.50	66.50	192.00	253.50	185.75	163.00	139.00	378.00	175.80	487.40	276.33	358.67	262.83	290.83	113.00	161.20	268.20	198.67	195.40	245.25	222.83	64.00	50.00	187.00	110.00	85.00	102.00	527.00	118.00	108.00	83.00	256.00	121.00
isoleucine	865933.00	899183.67	866916.83	570873.60	837584.17	885374.17	911285.83	909662.17	999570.83	955346.29	944680.67	928153.50	925333.00	944892.50	943613.50	918666.67	963015.00	944914.50	1096661.00	1016046.00	1046350.75	1023944.50	1148335.50	4416.17	2821.00	6136.60	1878.33	2296.00	3313.17	2445.33	6527.20	5463.20	3303.20	6802.67	12576.00	6745.50	10160.17	1625.00	349.00	353.00	336.00	2374.00	140.00	1035.00	676.00	734.00	589.00	398.00	2282.00
isomaltose	216.40	150.17	283.50	433.20	210.17	206.67	151.00	175.33	172.67	281.14	162.83	167.00	112.00	135.50	109.50	165.00	257.00	193.00	230.00	130.50	151.25	229.00	145.50	254.67	141.60	391.00	179.67	150.00	187.00	169.00	127.60	229.80	167.40	328.83	206.60	152.75	153.33	82.00	48.00	257.00	117.00	102.00	91.00	384.00	102.00	184.00	140.00	255.00	153.00
isorhamnose	1461.40	1811.00	1933.17	1361.40	1497.67	1416.50	1716.67	1451.00	2349.83	1905.14	1586.67	1382.33	1657.50	1872.50	2327.50	2029.00	2008.50	2029.00	2003.00	1984.00	2115.00	2265.50	2189.50	824.50	164.40	211.80	255.17	279.00	225.33	244.17	151.80	299.00	319.40	369.50	300.40	290.00	199.67	43.00	94.00	199.00	154.00	100.00	59.00	934.00	162.00	326.00	238.00	228.00	262.00
isothreonic acid	848.40	1041.50	1413.33	1049.00	838.00	821.33	809.00	836.17	2224.33	1265.86	881.17	763.83	795.50	757.50	1436.00	1315.33	896.50	914.50	936.00	1007.00	1174.50	1021.50	949.00	253.17	180.60	173.60	196.17	183.33	191.17	183.33	147.20	205.20	146.20	221.33	262.40	146.25	174.00	78.00	50.00	201.00	84.00	61.00	89.00	374.00	120.00	163.00	131.00	170.00	184.00
kynurenine	262.80	242.17	992.33	613.60	309.50	252.17	215.67	242.17	1213.83	338.43	258.33	239.33	151.00	185.00	1128.00	489.00	164.00	153.00	199.00	230.50	457.75	274.00	203.50	259.83	157.00	164.20	253.67	188.50	202.33	198.33	141.60	165.20	194.60	181.67	174.60	179.25	155.83	35.00	62.00	276.00	106.00	62.00	61.00	453.00	107.00	148.00	163.00	189.00	161.00
lactic acid	3807.80	3068.33	1943.67	5042.80	3343.00	3635.50	1187.33	3326.83	1831.50	2344.14	2263.17	2524.33	5316.00	5033.50	3002.00	750.67	1171.50	2038.50	700.00	462.50	552.75	770.00	1354.00	1106.83	1299.40	1496.60	1732.33	1578.00	1815.50	1961.83	1071.80	1556.40	1813.40	1392.00	1906.80	1497.25	1250.17	1499.00	251.00	12121.00	345.00	888.00	2595.00	31502.00	842.00	1353.00	19199.00	2449.00	15050.00
lactose	133.40	115.50	161.83	504.20	172.00	198.00	114.50	114.33	126.83	291.43	145.83	162.50	277.00	161.50	176.50	193.67	283.50	133.00	96.00	199.00	312.00	268.50	190.50	309.83	209.40	271.60	258.50	294.33	238.50	228.00	139.20	181.20	259.40	235.50	263.60	183.50	226.00	57.00	65.00	199.00	78.00	81.00	74.00	680.00	139.00	284.00	362.00	156.00	209.00
lauric acid	2853.00	3515.67	3088.83	8520.00	3356.33	2539.67	3469.83	2456.00	4877.00	3980.86	6685.83	4610.00	3718.00	2974.50	4233.50	4323.00	3723.00	3588.00	5809.00	3117.50	3910.00	5383.50	4616.00	2462.67	2989.80	2669.40	1922.83	5342.67	2394.17	3000.83	2182.60	2564.00	3423.60	1689.83	3572.20	2887.25	4584.83	63.00	54.00	1582.00	513.00	431.00	359.00	3966.00	216.00	1462.00	1410.00	189.00	219.00
leucine	1900922.40	1597014.67	1885331.17	1209186.00	1560169.50	2073782.33	1838217.33	1979073.67	1565422.67	1825276.00	1971073.33	2055478.00	1828043.50	2019710.00	1997846.50	1979655.33	1975129.50	1910386.00	2043329.00	1997302.00	2121460.50	2014370.50	1298194.50	14140.50	14200.40	3537.00	8246.83	7213.17	5807.83	5202.67	3440.80	5587.00	6914.00	3960.17	3881.60	3588.25	2618.50	7185.00	520.00	332.00	301.00	2033.00	425.00	629.00	381.00	194.00	996.00	994.00	1007.00
levoglucosan	433.80	520.83	868.83	1600.40	510.83	421.83	433.33	405.17	1160.83	689.43	499.17	353.17	865.00	825.50	1394.00	1217.67	841.50	757.50	1211.00	942.50	1006.75	829.00	976.00	496.33	426.20	356.20	346.83	314.67	390.50	317.17	270.20	278.80	375.40	343.00	371.60	278.75	291.83	51.00	57.00	344.00	106.00	65.00	73.00	259.00	92.00	148.00	198.00	136.00	134.00
lysine	845598.20	745572.67	657153.00	446259.20	866433.67	703079.50	817075.17	803814.67	511423.67	526702.86	583904.50	821308.83	275943.50	201815.50	492089.50	494453.67	296337.00	379257.00	39308.00	322559.00	215158.75	303450.00	398677.50	9710.67	9817.00	3960.40	3779.67	9380.17	6134.33	4802.17	6735.00	11549.60	11112.00	5414.33	6380.20	14153.00	24768.00	2843.00	69.00	534.00	81.00	159.00	119.00	670.00	171.00	326.00	230.00	156.00	280.00
lyxitol	2519.00	3305.00	672.50	1598.20	1871.83	1525.00	2408.33	2665.00	905.50	2169.71	1617.00	1316.00	3801.00	3468.50	1075.00	3385.00	4376.00	4089.00	4079.00	4700.50	3544.75	4598.00	4457.00	308.50	285.00	200.40	192.50	164.83	231.67	191.67	142.40	125.20	154.00	130.50	176.40	279.75	373.33	75.00	90.00	314.00	89.00	83.00	50.00	670.00	182.00	238.00	235.00	136.00	146.00
maleic acid	969.40	1112.67	729.33	935.00	975.33	1046.83	842.17	1038.17	801.50	1288.00	854.33	742.00	478.00	290.50	432.50	511.33	593.00	567.50	641.00	285.00	549.75	537.00	712.00	210.83	158.20	177.00	221.83	176.67	215.00	184.00	128.80	146.40	152.20	160.83	212.60	168.25	148.00	65.00	57.00	279.00	62.00	74.00	59.00	439.00	85.00	228.00	163.00	117.00	275.00
maleimide	20073.80	25346.17	15294.83	10115.00	19730.83	14661.83	17234.50	20936.83	30338.17	25068.14	18317.50	11657.67	13789.50	16922.50	20746.00	25503.67	17506.00	24951.50	34689.00	14931.50	24795.25	19787.00	20170.00	415.17	350.60	313.20	421.67	414.50	348.67	498.00	187.40	344.40	424.60	280.17	373.40	299.75	339.00	56.00	87.00	250.00	56.00	140.00	62.00	476.00	109.00	281.00	115.00	156.00	118.00
malic acid	7520.20	7700.83	7489.50	5702.20	7677.50	9765.33	14126.67	8729.33	5041.00	4601.29	5158.50	6288.50	2018.00	1411.00	2688.00	1716.67	2854.00	2661.50	426.00	135.50	1072.50	130.50	391.00	344.50	602.40	568.40	807.67	292.00	449.33	352.00	434.60	564.80	538.40	645.50	240.20	475.25	915.00	89.00	64.00	271.00	76.00	61.00	82.00	550.00	145.00	224.00	129.00	167.00	144.00
maltotriose	159.60	96.83	124.50	746.00	149.83	177.83	158.17	145.83	102.33	207.71	119.17	143.67	129.00	74.50	100.50	170.33	105.50	98.00	114.00	110.00	98.50	114.00	98.50	215.50	186.60	286.80	219.50	312.67	211.50	267.33	169.60	188.20	192.00	212.00	377.40	196.00	244.83	41.00	80.00	213.00	78.00	68.00	72.00	370.00	101.00	163.00	281.00	185.00	143.00
mannose	363.60	1746.67	1518.17	2222.00	1678.67	310.50	554.83	6666.50	144.00	442.00	712.83	371.17	234.50	1475.00	174.50	345.67	288.00	110.50	37115.00	185.00	219.00	176.50	194.00	25827.67	30438.20	183.20	23159.00	68138.00	16890.67	9225.17	437.80	578.60	358.40	512.50	5692.60	3755.75	6684.17	169946.00	124.00	304.00	311.00	150.00	161.00	481.00	111.00	469.00	150.00	362.00	184.00
mannose-6-phosphate NIST	2962.20	2413.17	4055.83	9070.00	1526.33	1231.33	434.33	1604.33	728.00	1146.71	343.33	186.83	166.00	158.00	125.50	169.33	143.00	154.50	128.00	161.00	138.25	170.00	174.00	1855.50	8383.60	5113.20	2989.50	1695.00	1522.50	2011.67	4227.60	1837.60	5379.00	4208.17	1075.20	2131.00	3022.67	78.00	57.00	199.00	101.00	78.00	86.00	587.00	130.00	176.00	169.00	119.00	151.00
methionine	158595.40	182988.50	151404.00	101508.60	135112.83	160001.17	177519.00	146807.83	212108.00	210795.00	164937.67	158053.50	217263.00	202073.50	147213.00	207427.33	222978.50	220675.00	208889.00	214896.50	206424.75	226329.00	233083.00	593.17	717.00	494.80	402.50	879.83	588.67	613.33	290.00	378.60	663.60	446.83	471.40	481.50	402.00	165.00	65.00	274.00	65.00	107.00	43.00	513.00	122.00	705.00	206.00	146.00	151.00
methionine sulfoxide	24164.20	40486.00	71096.67	22434.20	28233.17	19870.67	28038.33	29377.67	49955.50	26344.00	27364.67	21752.33	28232.00	29191.00	96786.50	41124.67	27334.00	21862.50	19030.00	32018.50	33050.00	23208.50	18281.50	3905.67	4203.60	2550.20	2289.83	3144.83	2851.17	2435.17	4388.80	1873.80	3267.40	3777.83	4541.40	5510.00	7816.00	315.00	259.00	889.00	300.00	267.00	289.00	1595.00	351.00	598.00	517.00	524.00	426.00
methylmaleic acid	254.00	171.33	181.17	539.20	254.83	222.00	151.83	256.83	177.67	259.71	225.67	204.50	132.50	113.50	174.00	134.33	141.50	86.00	125.00	158.00	112.25	110.50	133.00	281.00	225.60	207.80	322.17	356.83	266.33	278.67	200.00	247.40	307.40	222.00	308.20	286.75	278.83	38.00	43.00	215.00	82.00	60.00	72.00	610.00	116.00	183.00	185.00	170.00	206.00
myo-inositol	8504.20	10475.67	10375.33	5240.20	10107.50	7759.33	8753.00	8518.67	14255.33	11392.43	8291.33	7830.00	8099.50	8084.00	10491.50	8072.33	8251.50	8201.50	4669.00	9508.50	9700.75	10144.00	9768.50	318.67	172.00	136.40	148.33	151.50	170.17	158.83	101.20	134.20	193.40	192.50	150.20	121.75	124.17	64.00	50.00	232.00	56.00	79.00	64.00	342.00	132.00	136.00	112.00	200.00	139.00
myristic acid	6341.20	5878.50	7364.17	18824.40	6368.83	5692.50	7274.83	6441.00	11846.33	10978.29	5878.50	5943.00	4706.00	4602.50	6048.50	4641.00	2031.00	8129.00	2906.00	5582.00	5461.50	9684.00	9633.00	3309.33	3847.60	5407.00	5228.17	5266.50	4190.00	5214.83	3886.00	5003.40	6958.00	4424.83	6260.00	4639.75	5083.83	1536.00	1158.00	1954.00	450.00	538.00	444.00	3485.00	1319.00	1208.00	1757.00	1663.00	1650.00
N-acetylaspartic acid	485.20	575.83	1788.33	9404.80	1550.17	920.67	765.83	867.50	2724.50	1831.29	11741.83	5850.83	236.00	293.00	339.00	493.33	320.00	324.00	454.00	375.50	539.00	653.50	395.00	4112.50	6901.60	7633.80	1190.83	15584.83	3023.00	3071.83	3685.80	4243.40	7128.20	1385.50	3933.40	4646.50	12084.50	245.00	322.00	924.00	680.00	487.00	233.00	5792.00	1349.00	2969.00	834.00	1704.00	1222.00
n-acetyl-d-hexosamine	539.20	960.67	788.83	762.00	1065.50	647.67	616.17	775.67	1035.50	921.29	899.33	594.50	565.00	414.50	1639.00	2202.00	1350.00	606.00	865.00	562.00	474.75	1344.00	487.00	258.67	160.40	169.60	174.83	171.33	178.00	175.83	111.40	153.60	184.20	148.33	169.60	153.25	126.17	44.00	58.00	218.00	87.00	79.00	64.00	411.00	103.00	145.00	85.00	152.00	101.00
n-acetylglutamate	1397.80	1779.83	975.00	2669.60	1506.67	1775.67	1175.83	1536.67	1479.00	1624.00	1514.33	1622.83	515.50	516.00	727.00	922.33	1016.50	702.50	877.00	891.00	713.25	644.50	819.50	1150.00	1152.00	1533.00	1257.50	1366.33	1438.83	1149.17	1199.20	808.40	1481.60	1354.50	1430.00	1285.75	1373.17	114.00	87.00	545.00	187.00	169.00	119.00	1068.00	434.00	405.00	297.00	309.00	332.00
N-acetylornithine	5007.00	310.83	1582.67	584.60	963.17	264.33	331.00	424.67	523.50	471.43	369.50	257.00	152.00	255.00	442.50	302.00	252.00	316.00	536.00	310.50	216.50	173.00	160.00	312.00	233.40	797.60	198.00	196.00	252.17	228.17	164.80	160.60	262.60	1051.17	272.20	265.00	239.33	54.00	161.00	386.00	86.00	213.00	121.00	550.00	133.00	165.00	158.00	136.00	151.00
N-acetylputrescine	7589.20	7624.67	8395.50	6335.00	12738.17	8898.83	3574.00	4917.33	11195.00	7385.86	5099.17	6459.17	10446.50	13464.00	14787.50	9169.00	10178.00	10724.00	3774.00	10068.00	9628.75	10674.00	8972.50	717.67	661.60	1120.80	653.33	906.83	985.83	804.50	61544.20	1135.80	862.60	526.17	665.20	822.75	1871.50	149.00	86.00	517.00	152.00	136.00	191.00	740.00	242.00	419.00	282.00	245.00	360.00
N-carbamoylaspartate	19947.60	18437.33	18210.50	35397.40	24803.00	20199.67	23612.33	19725.50	18286.33	16771.00	23660.33	19902.50	14813.50	13504.50	16128.50	13049.67	11391.00	11044.50	771.00	14951.00	14929.00	15299.00	14738.50	13891.17	17895.40	33080.00	2194.83	34058.00	7807.00	5689.83	1953.60	708.00	16766.40	1208.83	5269.40	2029.75	2621.17	768.00	1159.00	1793.00	916.00	1418.00	933.00	14515.00	2827.00	8932.00	2208.00	1752.00	2606.00
N-carbamylglutamate	500.60	565.67	465.33	549.40	540.00	436.50	543.67	474.50	634.00	590.00	475.83	527.67	342.50	236.00	336.00	434.00	316.00	227.00	367.00	334.50	402.50	426.50	386.00	286.83	196.80	671.20	217.50	351.00	276.50	179.33	149.60	135.20	242.60	159.67	182.20	225.25	184.50	534.00	1444.00	2102.00	122.00	1849.00	67.00	287.00	127.00	435.00	129.00	298.00	187.00
nicotinamide	1676.80	827.67	1485.50	3038.40	1545.83	2724.50	1267.50	1016.00	1570.00	1633.86	1832.67	2778.67	2923.50	2933.50	2450.00	2428.33	2896.00	2811.00	1416.00	2257.50	1165.75	1773.00	1551.50	1221.67	1215.00	1079.40	1456.00	1237.50	1471.17	1430.50	775.00	1561.00	1890.80	901.67	1218.00	1228.50	1077.67	74.00	55.00	253.00	92.00	78.00	99.00	527.00	110.00	199.00	219.00	186.00	181.00
nicotinic acid	10936.40	11646.83	9877.67	7054.40	9959.17	10282.33	9294.33	10594.17	11673.83	11693.43	11533.67	8857.83	4256.50	4078.00	4986.50	6467.33	6051.50	5920.50	9813.00	7203.00	8738.75	8124.50	8741.00	271.17	224.40	234.20	264.33	222.50	251.67	298.50	154.40	212.00	240.20	201.83	284.00	207.50	185.50	47.00	63.00	215.00	90.00	62.00	60.00	458.00	125.00	143.00	183.00	160.00	242.00
N-methylalanine	108233.40	67507.50	23017.50	52689.80	77924.17	102770.17	20261.83	34494.50	36352.33	41195.57	48774.50	37452.50	13836.00	9804.50	5501.50	10380.00	7091.50	9487.00	20504.00	16325.50	21987.00	25502.00	28798.50	8768.67	6487.40	6546.80	8808.50	9832.50	9617.67	10911.67	2574.60	2013.60	9244.40	5587.17	10611.60	7048.25	8975.83	979.00	1286.00	279.00	4561.00	802.00	491.00	508.00	1279.00	962.00	2087.00	115.00	6296.00
norvaline	832.20	822.50	670.17	51173.20	1220.17	1005.67	794.67	1015.33	994.50	979.00	961.00	925.33	718.00	822.50	635.00	767.67	726.00	934.50	647.00	921.50	768.75	904.00	1020.50	22940.50	11686.60	7254.20	48581.83	17352.50	40370.67	50758.00	27520.80	23736.60	32195.00	45982.33	36932.40	47528.75	50510.00	671.00	40.00	260.00	170.00	1762.00	2507.00	1160.00	5553.00	1097.00	12329.00	2836.00	15413.00
octadecanol	358.60	327.17	309.50	637.20	444.67	327.50	330.17	352.50	294.83	394.71	438.83	352.00	222.00	233.00	206.50	294.67	269.50	260.00	227.00	250.00	296.75	234.00	251.50	231.83	241.20	262.80	297.00	230.83	282.83	236.67	223.00	266.80	217.20	244.83	380.80	205.00	204.83	155.00	65.00	281.00	134.00	79.00	50.00	934.00	287.00	189.00	140.00	249.00	343.00
oleic acid	4052.20	15019.67	3996.00	17402.00	7086.67	3119.33	3250.50	1322.00	5201.33	8036.57	6320.33	5001.50	10985.00	11177.00	13874.00	17211.67	16654.00	18970.00	15040.00	16562.00	10641.25	17314.00	18771.50	668.17	1835.00	960.60	667.33	2056.50	760.17	889.17	526.80	1683.80	1578.80	379.17	14691.00	452.00	405.83	51.00	65.00	101.00	490.00	48.00	371.00	106.00	40.00	30.00	108.00	64.00	108.00
ornithine	80788.20	113206.17	292129.17	300598.00	84468.33	72425.83	98825.83	66798.33	409053.33	127500.00	79599.67	74202.67	107452.00	122288.50	322636.00	150118.33	110785.00	128029.00	30951.00	128909.50	158735.00	120434.00	110436.00	2067.50	56471.60	2703.00	3139.00	29638.00	3462.33	3073.00	34403.00	3786.80	4763.40	30210.50	2357.00	1791.00	3888.00	674.00	196.00	662.00	282.00	238.00	273.00	2949.00	683.00	635.00	1102.00	491.00	804.00
orotic acid	1092.80	1264.67	1102.17	72350.60	925.33	487.50	1204.50	1248.00	10170.67	8204.86	43487.83	17307.00	942.50	798.50	1099.50	2753.00	952.50	756.00	933.00	1198.50	3477.75	5195.50	4098.50	30746.00	50155.20	40112.60	8968.17	37797.83	17386.00	19658.67	19367.80	8046.80	35490.60	10582.83	28071.60	10208.50	9952.33	431.00	701.00	1650.00	1238.00	743.00	905.00	20362.00	2665.00	8560.00	2525.00	3535.00	1785.00
oxalic acid	445.00	232.00	283.50	839.00	234.33	447.17	257.67	364.50	411.00	418.71	276.83	591.50	257.00	198.50	301.50	237.00	229.00	238.50	257.00	216.50	288.25	300.00	316.50	346.50	430.40	199.20	524.83	381.50	278.83	366.17	200.80	398.00	376.80	264.33	668.40	468.75	279.17	50.00	46.00	309.00	59.00	83.00	66.00	481.00	109.00	165.00	286.00	122.00	171.00
oxoproline	990315.20	1075408.50	1027500.83	743249.00	894485.33	920347.67	1015207.17	1013634.50	1127061.83	921984.43	993609.33	939323.00	1410194.00	1403442.50	1376216.00	1629947.00	1475017.50	1471769.50	1569870.00	1529201.50	1534171.00	1626898.00	1658510.00	69934.50	81209.60	82820.60	197369.00	106702.83	124543.17	184285.17	104325.60	177725.20	155674.60	170665.83	86947.00	125980.00	77799.00	5210.00	547.00	176.00	972.00	2459.00	9394.00	74783.00	38998.00	12897.00	28613.00	12669.00	32663.00
palmitic acid	11843.80	8422.00	10365.67	21901.20	14255.33	11780.67	10718.67	11340.00	8753.17	14136.57	10730.83	12420.00	1479.00	1923.50	2445.00	3070.33	2194.50	1526.50	2730.00	2541.50	2450.50	2022.50	1970.00	7766.67	10459.40	12523.60	14833.33	13295.83	10838.50	11634.67	8948.00	14797.00	17915.60	11446.33	15110.80	12925.25	14029.00	2872.00	2210.00	2450.00	950.00	921.00	817.00	5824.00	1900.00	2016.00	2770.00	2175.00	2526.00
palmitoleic acid	2785.80	1979.33	3599.00	9607.80	7500.00	2952.83	5187.00	2144.17	3869.67	7113.29	4646.67	3257.33	1214.00	1128.50	3576.00	2217.33	1330.00	1330.50	3327.00	1477.00	2110.00	1474.50	2240.50	649.00	1431.20	676.60	638.83	1894.67	771.17	704.33	536.00	962.20	1138.40	375.83	4261.60	479.75	513.50	247.00	160.00	414.00	90.00	78.00	83.00	652.00	184.00	209.00	362.00	179.00	279.00
pantothenic acid	491.20	576.50	455.67	708.80	1030.00	1004.33	589.83	653.83	690.50	577.57	539.33	747.83	403.00	392.00	403.00	417.67	402.50	420.00	85.00	494.50	444.00	476.50	372.00	278.67	160.60	207.40	147.33	147.17	172.50	143.67	107.40	150.40	185.80	158.83	181.20	142.00	152.17	61.00	35.00	171.00	119.00	70.00	90.00	726.00	107.00	155.00	152.00	146.00	136.00
parabanic acid NIST	1338.80	1588.50	1364.17	3966.20	1356.50	1043.50	1903.33	1566.83	1646.33	1458.29	1606.33	1583.33	618.00	581.00	14774.50	4306.33	664.50	20072.00	597.00	568.50	983.00	809.00	881.50	748.50	1052.20	1093.40	827.50	1533.83	1075.33	1064.83	588.80	684.80	980.40	682.67	996.00	955.00	829.17	128.00	85.00	206.00	596.00	699.00	662.00	361.00	202.00	1502.00	1393.00	302.00	196.00
pelargonic acid	2756.20	2403.83	2535.17	12583.80	2444.67	2660.17	2083.50	3582.00	1995.17	2514.00	2924.00	4318.33	1223.00	1301.50	1055.00	2148.67	1248.50	1270.50	1243.00	1511.50	1260.75	1554.00	1430.00	2258.83	3196.00	3017.20	3578.33	3648.00	2965.00	4640.50	2577.40	3647.40	2700.80	2784.00	4653.00	3806.75	3144.17	828.00	531.00	332.00	904.00	623.00	733.00	864.00	1453.00	1584.00	1967.00	1940.00	1700.00
pentadecanoic acid	1664.20	1681.83	1613.17	3121.80	2759.67	2180.33	1978.33	2347.50	2166.67	2516.00	1858.83	1839.00	656.00	695.50	815.50	940.67	815.50	6490.00	687.00	899.00	3700.25	6537.00	6060.50	789.00	825.40	1566.80	988.50	1276.67	962.83	1046.50	740.40	853.20	1429.20	777.67	1071.20	811.50	870.17	702.00	1778.00	2394.00	1861.00	2304.00	1689.00	1109.00	314.00	600.00	586.00	314.00	350.00
phenylacetic acid	965.00	636.67	745.83	948.60	448.83	1568.83	382.67	494.67	592.00	658.43	538.00	523.17	93.00	104.50	204.00	211.67	236.50	187.50	166.00	275.00	216.50	261.00	282.00	397.17	158.40	2490.60	266.33	339.17	165.50	147.33	141.40	1282.40	278.40	176.00	217.20	222.00	241.50	42.00	47.00	267.00	95.00	54.00	89.00	402.00	110.00	184.00	182.00	126.00	111.00
phenylalanine	502598.80	534246.67	594705.17	327078.00	456154.50	480222.50	541985.17	519857.33	671660.83	556317.43	533684.33	500680.67	731196.00	728087.50	735653.00	821330.67	757574.50	736384.00	755575.00	795446.00	790120.50	829451.00	862476.00	3885.00	5100.20	1645.20	2107.17	1402.83	1869.83	1760.33	2741.40	4074.40	1733.40	1446.00	1494.40	5530.75	2509.00	977.00	183.00	424.00	126.00	169.00	153.00	1012.00	307.00	367.00	308.00	384.00	375.00
phenylethylamine	30810.80	18138.83	6572.33	8001.00	9714.00	13761.00	20384.50	23799.67	6346.00	10369.00	13117.00	14102.17	1150.00	2067.00	2337.50	2197.00	1454.00	2720.50	1409.00	1864.00	1678.00	2636.00	1198.50	241.33	176.20	142.40	157.50	163.33	171.33	156.00	125.80	135.20	155.40	230.33	206.40	128.75	138.00	65.00	41.00	300.00	87.00	85.00	59.00	569.00	76.00	161.00	131.00	106.00	144.00
phenylpyruvate	1023.20	922.83	896.50	1727.20	595.00	711.83	1278.50	755.67	2017.83	1805.57	629.33	1092.83	352.00	338.00	423.00	432.67	360.00	335.50	460.00	446.00	599.75	524.50	383.50	436.50	450.80	379.00	372.00	449.33	258.83	310.33	474.00	266.20	322.40	431.50	493.40	355.50	385.50	171.00	77.00	192.00	272.00	246.00	171.00	767.00	373.00	419.00	321.00	690.00	745.00
phosphate	124731.40	106835.00	118893.00	1188509.20	117785.50	140360.67	123205.00	119604.33	99991.33	114132.71	168754.17	139452.50	123911.00	144812.00	129587.50	134297.33	139065.00	128461.00	158485.00	122670.00	130118.50	140102.00	117377.50	475019.00	127440.00	267377.80	243211.83	201785.50	230979.33	225650.33	201219.40	223235.00	229762.60	213866.67	245890.40	199075.25	184247.50	143620.00	139261.00	19671.00	205837.00	186317.00	193926.00	266584.00	309194.00	437696.00	420085.00	380482.00	452104.00
phosphoenolpyruvate	4765.20	3115.33	3135.83	6490.80	4004.83	4445.67	6459.83	4474.67	4131.17	4952.00	3124.00	6313.00	101.00	130.50	103.00	156.00	117.00	103.50	139.00	123.00	160.50	144.50	122.00	1906.33	3136.20	1463.20	982.50	750.17	474.83	503.00	1051.80	1264.80	1979.60	594.50	773.40	239.00	217.67	59.00	33.00	255.00	55.00	82.00	86.00	499.00	110.00	169.00	97.00	156.00	168.00
phosphoethanolamine	275.00	221.00	273.83	1273.20	452.17	269.67	754.00	279.17	279.00	297.43	390.00	287.50	134.50	96.00	131.00	149.67	109.50	93.50	100.00	109.00	122.00	132.00	119.50	500.50	1172.80	674.60	660.67	1076.17	559.50	785.83	828.20	878.20	996.40	442.67	1105.40	851.75	612.17	45.00	72.00	332.00	97.00	61.00	38.00	384.00	114.00	179.00	169.00	125.00	182.00
pipecolinic acid	2320.00	2497.00	3107.50	1734.80	1607.00	3920.67	3322.33	2669.83	2886.50	3396.29	1834.33	3292.67	2810.50	2741.00	2394.00	3401.67	3324.50	3237.50	3673.00	3400.50	3786.00	4360.00	4412.50	238.50	133.20	156.60	219.17	193.83	162.17	227.33	136.20	191.20	170.00	165.83	111.40	144.25	148.67	52.00	67.00	264.00	60.00	80.00	80.00	504.00	151.00	156.00	204.00	137.00	174.00
proline	258665.20	281515.00	284560.67	235515.00	240406.50	291566.67	343405.17	271336.33	374985.00	506085.57	356462.33	310750.33	313967.00	325014.00	261827.50	282893.00	340724.50	332656.50	351184.00	347782.00	328397.00	319149.50	369299.00	3465.33	6310.80	3289.40	1634.83	2533.67	6322.00	2956.83	2638.20	2764.60	4951.20	4511.83	3097.80	2749.50	2629.83	362.00	97.00	307.00	101.00	85.00	92.00	601.00	156.00	334.00	295.00	258.00	182.00
pseudo uridine	1380.20	1527.67	1780.33	1875.80	2907.17	2081.67	2548.00	2423.17	3300.83	2984.86	3241.50	2746.50	544.50	585.50	673.00	784.00	788.00	609.50	629.00	834.50	846.00	755.00	748.00	276.50	3143.00	267.20	187.83	419.67	187.83	172.00	234.60	283.80	330.00	241.00	379.80	246.00	277.33	34.00	53.00	211.00	78.00	62.00	86.00	430.00	107.00	113.00	179.00	220.00	229.00
putrescine	365957.00	401293.67	288377.00	501808.40	303322.17	244674.67	381813.33	363011.50	418495.50	446935.29	401856.00	330325.17	16507.00	17055.00	12586.00	9569.00	11463.00	8802.00	4193.00	24016.00	27417.75	20403.50	17245.00	136050.50	140812.20	179038.60	82509.83	120142.17	107451.33	89786.17	179271.80	70817.00	116564.00	148606.67	170486.40	211391.50	305289.67	3597.00	7769.00	10934.00	8470.00	10246.00	9540.00	3860.00	2248.00	7983.00	1252.00	1991.00	1489.00
pyridoxal-5-phosphate	141.60	113.17	225.67	991.20	200.33	149.17	203.67	100.50	165.33	291.43	191.00	157.67	131.50	121.50	129.00	181.33	614.00	109.00	74.00	140.00	143.00	109.00	693.00	279.00	138.40	167.20	175.33	151.17	166.17	165.00	187.00	173.80	135.20	152.33	201.40	130.75	254.33	72.00	52.00	267.00	82.00	66.00	51.00	476.00	100.00	138.00	191.00	236.00	159.00
pyrophosphate	23610.40	26109.83	8349.17	169680.60	35053.17	18608.00	24158.00	26206.67	10154.67	14015.86	30160.67	21135.50	2923.00	1558.50	1133.50	1293.00	1133.50	3512.50	2735.00	1367.00	1905.50	1284.00	3467.00	37515.67	49322.60	58803.80	37624.67	48602.83	67421.83	43825.17	31673.40	32987.00	56139.40	54265.17	43554.00	29324.50	36261.67	1117.00	917.00	604.00	2252.00	3914.00	990.00	1230.00	2494.00	3019.00	2677.00	4962.00	2004.00
pyruvic acid	720.00	660.67	699.67	8569.40	989.50	982.00	1236.00	809.50	655.50	768.57	572.83	861.00	449.50	680.50	479.00	347.00	365.00	204.50	597.00	355.00	370.75	369.50	589.50	2792.50	3727.40	1139.80	4645.50	1809.50	2012.50	2867.00	1623.60	886.00	2169.40	5737.33	2373.60	2657.75	2455.33	877.00	687.00	39152.00	252.00	3189.00	7408.00	684.00	119.00	720.00	13572.00	6250.00	50.00
raffinose	247.40	189.67	183.00	479.40	193.17	207.00	322.00	247.33	162.50	280.14	217.67	218.33	178.50	166.50	171.00	229.33	227.00	227.00	70.00	114.00	230.00	117.00	281.50	221.33	132.60	161.60	169.67	149.33	178.67	133.33	119.00	122.00	171.20	142.50	132.00	114.00	114.67	56.00	66.00	197.00	65.00	64.00	72.00	495.00	109.00	209.00	105.00	143.00	163.00
ribitol	727.80	1091.83	648.67	694.00	866.17	731.50	711.17	940.00	769.17	1087.43	828.67	546.83	1129.50	959.50	1140.50	3008.33	3612.50	1317.00	6058.00	1381.50	2343.25	1429.00	3751.00	274.67	178.40	152.60	169.17	139.67	178.00	144.83	144.60	172.60	141.60	142.17	270.00	130.25	232.50	75.00	90.00	314.00	89.00	108.00	78.00	1003.00	223.00	263.00	235.00	166.00	332.00
ribonic acid	564.20	714.67	573.50	716.40	713.50	441.33	518.50	554.00	847.83	789.43	513.17	481.33	427.00	422.00	398.00	598.67	441.50	306.50	501.00	453.00	623.25	645.50	493.00	280.00	153.20	156.40	153.00	120.67	165.00	170.83	98.60	163.60	151.60	159.50	137.40	144.50	143.17	41.00	74.00	218.00	62.00	106.00	57.00	458.00	122.00	193.00	220.00	182.00	114.00
ribose	2164.00	3742.67	1906.00	1403.00	14506.83	2351.00	3372.83	8943.17	2352.67	2081.86	14429.83	2858.17	1200.00	1115.00	1322.00	997.33	1179.00	936.50	1196.00	1356.50	846.25	613.00	456.50	352.00	332.80	393.00	296.67	375.67	260.83	301.17	172.20	224.60	321.40	297.67	382.00	355.00	304.17	88.00	55.00	311.00	168.00	81.00	136.00	134.00	140.00	244.00	220.00	185.00	229.00
ribose-5-phosphate	212.00	144.83	376.83	820.60	397.00	334.67	301.00	231.33	225.17	396.00	274.17	294.67	111.50	118.00	88.00	182.00	91.50	271.50	195.00	136.00	213.75	142.50	130.00	256.67	125.80	211.00	246.33	196.67	187.00	181.17	94.80	192.80	294.80	141.17	195.00	150.00	190.17	45.00	57.00	197.00	84.00	43.00	113.00	578.00	78.00	130.00	153.00	150.00	156.00
saccharopine	541.80	736.17	884.83	722.00	669.50	465.83	598.17	599.17	1105.67	771.43	578.17	552.50	705.50	667.50	938.50	810.00	675.50	673.00	329.00	740.50	863.50	675.50	738.50	260.17	135.40	241.80	162.17	144.50	138.83	165.83	97.80	162.60	214.80	154.50	169.60	109.50	155.00	63.00	37.00	295.00	103.00	93.00	78.00	638.00	87.00	115.00	223.00	125.00	179.00
serine	5244.60	9504.67	2994.17	5563.80	4675.33	6998.17	4141.17	10867.50	3156.17	4348.14	3097.50	5269.50	910.00	1062.00	1374.50	894.67	912.50	663.00	2100.00	1317.50	1758.50	1031.00	1066.00	1468.83	3045.60	4470.00	6459.50	3823.00	4235.67	6930.83	2329.00	3705.20	5141.00	2974.67	5346.00	5939.50	2555.33	95.00	136.00	360.00	133.00	129.00	123.00	1276.00	371.00	356.00	341.00	41617.00	423.00
shikimic acid	494.20	807.33	651.17	1154.40	756.17	678.33	711.00	686.83	932.83	997.71	799.00	690.67	1027.50	1023.50	1341.00	1197.67	1164.50	1164.50	656.00	478.00	1137.00	1193.00	784.00	391.67	414.20	416.40	228.83	528.83	262.83	283.00	219.00	214.40	439.60	243.33	330.80	158.75	295.67	97.00	97.00	283.00	105.00	118.00	128.00	749.00	166.00	391.00	185.00	378.00	144.00
sorbitol	1483.00	732.33	2315.17	956.60	811.17	640.83	695.50	990.67	451.67	1921.43	670.33	6783.00	623.00	787.00	806.00	472.33	784.50	1207.00	264.00	722.50	337.25	698.50	697.00	316.00	271.80	452.20	280.00	356.50	366.83	343.17	197.00	360.20	276.80	325.83	279.40	401.25	281.00	12914.00	200.00	520.00	173.00	223.00	54195.00	823.00	200.00	145.00	156.00	249.00	186.00
spermidine	9755.20	10698.83	10905.33	5913.20	8734.33	6228.50	8222.00	6060.00	12528.33	10633.57	6181.17	5506.67	6121.50	5755.00	1756.00	4690.00	6993.50	6804.50	9471.00	5947.00	3825.50	6560.00	6989.50	528.33	284.80	673.00	251.83	380.67	413.33	282.33	257.20	204.80	354.40	300.17	388.40	417.75	555.00	69.00	164.00	388.00	154.00	169.00	129.00	448.00	130.00	176.00	188.00	110.00	221.00
spermine	5294.60	15188.50	4927.50	3812.20	1367.17	814.00	1125.17	3884.33	1278.00	3316.43	853.00	1128.50	16904.50	15102.00	1392.50	11401.33	10775.50	11123.00	8388.00	11259.50	3292.00	3403.50	2984.50	350.83	781.60	886.80	1157.33	817.50	629.33	1180.00	754.80	649.20	817.80	686.67	1597.20	754.00	621.50	36.00	49.00	267.00	71.00	64.00	105.00	4285.00	184.00	103.00	164.00	155.00	164.00
stearic acid	82738.40	53424.67	80054.50	169178.00	88686.17	87826.67	69410.33	75431.00	57060.83	95595.29	72099.83	90148.17	12024.00	18139.00	27258.00	34466.67	23587.00	12792.50	27666.00	21726.00	22986.50	20121.00	18472.00	68072.50	67705.20	98834.00	111869.83	91277.83	83286.67	82784.67	60348.60	109857.80	156455.80	91939.17	108058.40	98116.75	125343.50	24452.00	22332.00	18201.00	6455.00	6434.00	6642.00	55063.00	16497.00	17407.00	31210.00	18230.00	22525.00
succinic acid	87538.20	64722.17	62896.67	65814.00	82022.17	83968.33	41831.00	53081.33	36969.00	43224.00	93602.33	45750.83	15123.00	13949.50	14679.00	18307.00	20720.50	28413.50	354.00	2809.50	14515.00	7069.50	16665.50	6138.50	12557.80	7235.40	1983.50	9239.00	3754.67	3191.17	4009.20	5196.40	7209.60	1400.50	3543.40	3870.00	4706.67	131.00	540.00	302.00	838.00	699.00	620.00	592.00	240.00	231.00	327.00	553.00	176.00
sucrose	796.80	907.17	147.83	932.20	818.17	597.17	674.00	727.67	163.33	886.14	651.00	695.67	748.00	780.50	132.00	742.00	805.00	766.50	646.00	884.50	831.50	934.00	948.50	275.00	152.20	155.60	134.17	259.83	129.50	117.83	95.40	141.60	84.40	155.00	721.00	64.25	107.83	73.00	42.00	300.00	73.00	70.00	57.00	550.00	158.00	90.00	179.00	105.00	209.00
sulfuric acid	140.00	170.17	229.33	1849.80	155.67	131.17	235.17	127.50	77.67	194.00	159.33	131.50	257.00	911.00	2111.00	377.33	168.50	881.50	154.00	2101.50	1564.50	622.50	885.00	369.83	1669.20	850.80	196.50	423.67	244.67	343.33	1330.00	435.60	289.20	231.17	1684.40	2002.00	2380.50	62.00	60.00	215.00	103.00	68.00	50.00	592.00	104.00	251.00	107.00	152.00	134.00
tagatose	642.40	689.83	582.33	1198.20	816.67	625.67	721.17	656.67	919.17	1009.29	830.83	550.33	568.00	555.00	522.00	601.67	662.00	553.00	764.00	670.00	585.75	712.00	632.00	468.50	324.40	378.80	369.33	353.67	372.33	366.33	242.20	231.20	328.40	275.83	338.40	337.75	521.33	126.00	2920.00	300.00	233.00	142.00	135.00	906.00	254.00	296.00	310.00	348.00	304.00
tetracosane	1251.60	1137.50	930.00	2173.80	1304.00	825.33	652.33	1341.50	1189.00	999.14	952.50	913.33	982.50	1055.50	996.50	1239.00	965.50	996.50	1182.00	1080.50	838.50	818.00	1151.50	388.17	510.00	463.60	646.83	1144.00	392.00	505.83	335.60	670.20	942.20	362.67	3379.80	582.00	527.00	302.00	289.00	761.00	265.00	357.00	272.00	1378.00	599.00	906.00	415.00	710.00	600.00
threitol	231.00	221.00	1062.67	445.80	290.00	230.17	237.00	313.67	156.67	515.57	627.00	190.00	437.00	210.00	608.00	332.67	212.00	566.00	282.00	195.00	346.50	279.00	211.50	225.17	252.80	229.20	303.50	279.83	213.17	311.33	172.40	242.60	287.80	190.33	285.00	303.75	246.33	59.00	41.00	208.00	56.00	49.00	98.00	592.00	157.00	115.00	140.00	186.00	133.00
threonic acid	253.00	260.00	252.83	547.40	309.17	274.33	277.33	303.33	381.83	387.57	274.33	309.00	210.00	182.00	221.50	240.00	228.50	135.00	177.00	219.50	226.00	282.50	209.50	245.00	125.20	161.60	188.67	147.50	181.33	157.00	94.00	154.60	197.40	178.00	171.00	146.25	135.83	62.00	52.00	211.00	47.00	51.00	98.00	587.00	120.00	214.00	105.00	123.00	171.00
threonine	37823.20	74893.17	121272.00	44795.80	41146.83	29324.33	29967.83	34232.33	28343.33	31248.71	25066.83	24034.83	101914.00	120473.00	139654.50	106503.00	148001.50	123624.50	28264.00	25236.50	20223.25	25774.50	32139.50	2831.17	2818.80	3419.40	2756.33	3397.00	2096.83	2720.67	5378.80	4684.60	2944.20	2880.33	7032.20	4779.00	3738.17	342.00	1582.00	484.00	293.00	1311.00	1640.00	920.00	310.00	1682.00	1881.00	869.00	577.00
thymidine-5-phosphate	427.80	1452.33	676.33	2092.80	1015.17	1166.00	1543.00	486.33	2394.50	1501.14	1192.67	618.00	1262.50	2506.00	1657.50	3332.00	2788.00	1219.00	129.00	3155.00	1613.25	3256.00	2967.50	733.83	1460.60	791.00	873.17	1133.17	1079.83	1607.50	711.40	686.60	1606.60	876.17	1105.20	853.25	883.33	75.00	61.00	190.00	59.00	45.00	56.00	499.00	92.00	289.00	163.00	166.00	201.00
thymine	2545.40	1903.33	4086.83	7017.40	3412.83	5692.67	4743.33	2605.67	2831.83	3485.57	4054.83	3005.17	248.00	255.50	289.00	296.67	280.00	285.00	368.00	221.50	288.25	314.50	268.50	2470.17	5559.20	2940.20	4138.33	4604.67	5138.67	7159.67	3115.00	3426.00	6369.20	3782.33	4298.20	4028.50	3605.67	67.00	45.00	215.00	68.00	93.00	58.00	518.00	115.00	213.00	310.00	268.00	191.00
trehalose	87740.60	195529.83	76062.50	15846.00	29401.17	26218.17	5613.83	47720.33	1503.67	28060.57	3864.67	2000.33	510836.00	484710.00	434548.50	348684.67	359008.50	364462.00	97506.00	274289.00	94418.00	67261.50	61109.00	454.67	653.80	650.20	553.33	759.17	430.67	661.67	377.40	411.20	501.20	552.00	1113.00	623.00	740.83	986.00	317.00	777.00	310.00	435.00	284.00	1031.00	202.00	616.00	303.00	480.00	327.00
trehalose-6-phosphate	137.80	122.17	128.33	459.00	148.00	141.00	135.50	130.83	97.17	270.43	162.17	144.00	398.00	310.00	318.00	418.33	270.00	493.00	96.00	189.00	174.25	291.00	340.00	221.33	141.60	187.00	186.00	144.33	186.50	172.83	98.60	164.00	173.80	174.17	168.60	131.25	139.33	85.00	53.00	169.00	83.00	64.00	37.00	314.00	145.00	143.00	171.00	139.00	148.00
tryptophan	286203.40	361185.17	236658.50	150724.60	302482.17	228797.33	219151.00	258003.50	174424.50	210949.43	205178.33	196152.33	484402.50	489976.00	365824.00	430527.33	466695.50	467153.00	377560.00	452212.50	366552.00	438929.00	444760.00	836.67	877.80	433.20	356.17	513.67	589.17	342.67	259.00	302.80	703.80	468.00	609.00	269.00	363.50	622.00	187.00	571.00	77.00	158.00	42.00	407.00	138.00	221.00	163.00	196.00	216.00
tyrosine	257673.20	320086.50	295531.00	188235.00	362359.17	265367.50	309170.33	263545.33	392941.83	383312.14	314461.17	285348.00	315668.50	312480.00	311308.50	333546.00	316913.00	317970.00	303143.00	362376.50	341562.50	343363.50	322009.50	3329.00	1622.20	3910.00	3283.33	2755.17	3825.50	3076.83	2565.80	4077.60	5042.60	2199.17	3327.60	2181.00	1953.50	1159.00	1850.00	758.00	2248.00	2276.00	2149.00	1331.00	255.00	665.00	282.00	514.00	372.00
UDP-glucuronic acid	591.60	623.67	478.33	1875.00	516.33	344.67	574.50	495.67	716.83	730.71	619.50	503.50	102.00	113.00	217.50	165.67	219.00	173.50	113.00	114.50	220.25	115.50	100.00	587.33	626.80	721.20	570.83	724.00	626.00	579.83	518.40	495.00	759.00	599.83	920.40	707.25	721.00	69.00	54.00	218.00	56.00	78.00	35.00	518.00	114.00	233.00	147.00	238.00	68.00
UDP-N-acetylglucosamine	284.20	190.33	218.67	413.40	205.17	186.50	117.33	235.83	197.33	275.57	282.67	126.33	99.50	88.50	136.50	164.33	121.50	160.00	144.00	85.50	155.25	110.00	132.00	222.17	140.60	224.00	218.67	277.50	209.67	256.50	88.20	106.00	210.40	184.83	176.20	74.25	95.00	74.00	48.00	271.00	59.00	76.00	49.00	374.00	159.00	186.00	219.00	130.00	148.00
uracil	37416.80	28364.67	30203.83	24920.60	28133.00	26606.17	30174.33	29517.00	24539.33	30032.43	27530.50	18238.67	10258.00	10732.50	6229.00	5451.33	7524.00	8810.00	3489.00	4685.00	1869.75	194.50	482.00	2857.83	1681.00	5386.80	7528.00	6609.67	10004.00	8768.17	1794.00	2682.80	12941.00	3012.83	6026.00	3246.00	3415.67	51.00	69.00	215.00	65.00	49.00	56.00	684.00	153.00	206.00	164.00	132.00	232.00
urea	7497.80	6192.50	5531.83	4394.80	7825.33	5648.50	8994.33	9243.00	12095.83	11626.43	8592.50	8361.50	2692.00	3734.50	3380.50	4162.00	2964.50	2755.00	8756.00	6670.00	7038.75	7456.50	7044.00	891.33	2987.80	2396.00	2135.17	2879.00	1637.83	2013.67	1349.40	1644.60	1911.60	3564.17	1454.20	3597.25	3262.00	117.00	26579.00	241.00	84.00	66.00	64.00	435.00	108.00	223.00	118.00	146.00	182.00
uridine	327.20	316.17	273.50	570.20	371.83	300.33	370.33	515.00	193.83	386.86	314.00	374.33	92.00	135.50	129.50	127.33	96.00	103.00	107.00	145.50	263.25	137.00	122.00	264.33	154.40	125.00	135.17	131.83	202.83	171.83	132.00	157.20	175.80	153.50	199.20	128.50	137.00	54.00	47.00	300.00	87.00	83.00	79.00	356.00	132.00	184.00	160.00	200.00	221.00
uridine-5^-monophosphate	6095.80	4480.50	3878.00	5041.80	5297.50	4540.83	5111.50	5599.50	3047.33	3204.57	3799.67	4216.83	204.00	234.50	154.00	252.00	263.00	205.00	349.00	135.50	248.25	222.50	270.50	1701.17	1239.20	1777.00	2464.00	4009.50	2416.67	3155.67	1049.00	2168.00	4254.80	1352.33	2781.20	2223.75	2071.17	56.00	51.00	222.00	79.00	76.00	79.00	462.00	71.00	146.00	153.00	146.00	121.00
valine	1047670.20	963684.17	1019492.33	687315.40	1337777.67	1136485.50	1048444.17	1067065.83	962046.50	1107936.43	1126347.50	1157888.00	1179959.00	1143091.50	1125071.50	1117736.00	1222954.00	1143686.50	1286463.00	1169068.50	1243769.75	1208117.50	1292509.00	10535.33	14291.60	17743.40	10667.83	14244.50	6935.83	11021.17	10792.00	11039.20	13977.60	6612.00	11015.40	14865.75	9431.67	3025.00	467.00	534.00	210.00	896.00	259.00	888.00	503.00	926.00	767.00	389.00	1003.00
xanthine	3105.20	2940.67	3354.83	5806.60	8221.33	5283.50	5387.17	4287.00	3331.00	6799.29	5858.33	5167.33	1262.00	1272.00	853.50	1095.67	1446.00	1170.50	171.00	407.50	675.75	663.00	794.50	733.17	824.20	810.20	489.17	941.33	1127.83	769.50	344.40	522.00	1571.20	328.17	654.80	243.75	228.00	53.00	58.00	194.00	99.00	51.00	56.00	564.00	142.00	156.00	225.00	147.00	267.00
xanthosine	147.20	138.17	156.50	503.00	172.00	166.17	155.00	157.50	142.00	253.43	190.33	211.17	126.50	139.50	190.00	204.00	150.50	157.00	205.00	119.50	146.25	187.50	181.00	246.50	128.80	168.20	180.67	152.67	203.83	201.17	106.60	129.00	198.60	193.17	173.40	139.00	122.67	50.00	44.00	222.00	55.00	84.00	86.00	435.00	111.00	145.00	179.00	169.00	184.00
xylitol	372.20	336.00	294.33	465.00	322.67	313.83	333.50	333.83	355.83	403.57	314.67	314.83	373.50	342.50	334.00	344.33	339.00	315.00	400.00	352.00	389.25	380.00	274.00	238.83	202.60	289.20	189.33	163.00	189.50	162.33	199.00	180.00	186.40	134.00	248.60	151.25	133.33	63.00	57.00	185.00	59.00	65.00	74.00	416.00	109.00	166.00	144.00	137.00	171.00
xylose	290.60	272.67	256.67	621.20	376.00	217.33	342.67	341.83	236.50	384.43	312.83	200.17	137.00	132.50	143.00	218.00	127.50	197.50	254.00	259.50	160.75	258.50	158.00	220.33	163.60	155.80	170.00	152.67	160.50	128.17	104.40	162.00	158.20	162.50	185.40	97.75	147.83	92.00	67.00	248.00	62.00	123.00	79.00	564.00	41.00	196.00	222.00	72.00	32.00

Factors:

F1	Treatment:LB OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6664)
F2	Treatment:LB OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6665)
F3	Treatment:LB OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6594)
F4	Treatment:LB OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6595)
F5	Treatment:LB OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone1)
F6	Treatment:LB OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone 2)
F7	Treatment:LB OD 2.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6664)
F8	Treatment:LB OD 2.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6665)
F9	Treatment:LB OD 2.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6594)
F10	Treatment:LB OD 2.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6595)
F11	Treatment:LB OD 2.0 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone1)
F12	Treatment:LB OD 2.0 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone 2)
F13	Treatment:LB Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6664)
F14	Treatment:LB Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6665)
F15	Treatment:LB Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6594)
F16	Treatment:LB Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6595)
F17	Treatment:LB Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone1)
F18	Treatment:LB Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone 2)
F19	Treatment:LB Supernatant (SN) OD 2.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6664)
F20	Treatment:LB Supernatant (SN) OD 2.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6665)
F21	Treatment:LB Supernatant (SN) OD 2.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6595)
F22	Treatment:LB Supernatant (SN) OD 2.0 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone1)
F23	Treatment:LB Supernatant (SN) OD 2.0 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone 2)
F24	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6664)
F25	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6665)
F26	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6594)
F27	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6595)
F28	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli double mutant Delta yggS Delta glyA VDC strain (strain VDC6658)
F29	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone1)
F30	Treatment:MG OD 0.5 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone 2)
F31	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6664)
F32	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta glyA (strain VDC6665)
F33	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6594)
F34	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli Delta yggS (strain VDC6595)
F35	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli double mutant Delta yggS Delta glyA VDC strain (strain VDC6658)
F36	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone1)
F37	Treatment:MG OD 1.0 \| SampleType:Cell Pellets \| Strain:E.coli WT BW25113 (clone 2)
F38	Treatment:MG Supernatant (SN) OD 0.5 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6665)
F39	Treatment:MG Supernatant (SN) OD 0.5 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6594)
F40	Treatment:MG Supernatant (SN) OD 0.5 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6595)
F41	Treatment:MG Supernatant (SN) OD 0.5 \| SampleType:extracellular supernatant \| Strain:E.coli double mutant Delta yggS Delta glyA VDC strain (strain VDC6658)
F42	Treatment:MG Supernatant (SN) OD 0.5 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone1)
F43	Treatment:MG Supernatant (SN) OD 0.5 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone 2)
F44	Treatment:MG Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6664)
F45	Treatment:MG Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta glyA (strain VDC6665)
F46	Treatment:MG Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6594)
F47	Treatment:MG Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli Delta yggS (strain VDC6595)
F48	Treatment:MG Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli double mutant Delta yggS Delta glyA VDC strain (strain VDC6658)
F49	Treatment:MG Supernatant (SN) OD 1.0 \| SampleType:extracellular supernatant \| Strain:E.coli WT BW25113 (clone1)