Data for ST000818   

(Analysis AN001296): Average values per metabolite and experimental factor (Units:Peak area normalized)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51
16:0 LYSO PC (M+Cl)-
139531.09 147547.33 85486.61 157389.09 148136.12 150095.31 141904.30 145716.79 25462.00 109660.59 145043.15 176394.00 127236.29 165319.20 136198.71 171709.50 29219.00 115944.00 148920.00 177228.00 50724.00 161396.25 210370.00 20243.00 35516.00 172423.00 122971.67 12135.00 155318.20 205162.00 234950.00 57480.00 149723.00 106770.45 124407.33 186441.00 213123.50 172656.00 136646.61 113808.95 156871.78 148084.28 139410.58 139707.45 136611.89 138629.18 161223.77 115803.31 151534.43 155606.90 110331.33
18:0 LYSO-PE (M-H)-
1129714.55 1398456.28 1583295.50 1006176.18 930132.71 790714.92 1219461.40 899492.37 1684733.00 984632.88 906652.77 506518.00 908694.71 630458.00 1060088.43 671957.00 665993.00 807273.00 591767.00 1037087.00 354665.00 771596.50 389385.00 944201.00 242321.00 1521412.00 952011.17 611822.00 1449346.20 965681.00 1325188.00 1461133.00 134237.00 784959.09 442864.50 554212.00 579048.00 1139686.14 818287.17 881382.67 784527.11 1633393.61 1046398.92 1312354.91 1011359.68 844372.00 1092926.00 982000.00 1254049.14 1007564.25 1044686.89
1-METHYLXANTHINE (M-H)-
16489.62 21021.50 14016.56 14180.00 - - - - - 41776.09 54013.43 - 22180.50 3907.00 81835.00 - 7828.00 - - 99438.00 3057.00 26062.33 - 57232.00 46935.00 36253.00 32056.50 4607.00 47907.00 64685.00 5816.00 - - 30502.38 98242.00 - - - - 26437.18 - 68047.00 5284.00 7591.43 22552.33 5252.50 11982.00 18379.20 22328.00 28204.89 10825.00
24:0 SM (D18:1/24:0) (M+Cl)-
61073.50 81587.50 81969.29 80310.57 79662.29 69775.83 60022.40 69233.60 103632.00 78787.92 63625.92 152906.00 76322.40 77752.40 64176.33 70428.67 63709.00 - - 125245.00 46029.00 59199.00 79931.00 53670.00 158684.00 149138.00 82171.00 81320.00 104894.60 140658.00 58573.00 103930.00 - 65229.45 39805.00 81490.00 58365.00 57514.71 56151.42 88952.79 47437.50 90452.50 66838.50 81915.70 71602.25 81042.31 91761.08 53511.38 82207.17 82024.82 78206.12
2-DEOXY-D-GLUCOSE (M+Cl)-
1497314.09 1616889.82 1730358.22 6821389.80 1122819.69 28282330.67 1111011.90 2431454.71 139790.00 4042471.06 883473.15 569959.00 1799025.75 1187440.75 2154199.00 1091517.00 644023.00 1967311.00 614292.00 - 223102.00 842953.50 29465698.00 1107083.00 584435.00 2278078.00 1128657.50 1564883.00 2573391.60 1452156.00 78083.00 865547.00 13145000.00 1096186.00 6740170.67 2580691.00 970751.50 2406266.29 1338983.59 1379908.50 1815483.00 2779374.17 2215484.67 1103042.55 1622404.47 1139218.25 1694319.36 3363527.50 3751692.57 1530021.25 1910229.25
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
1264971.73 1645043.67 1193377.33 1794587.36 1447434.88 1607243.54 1636445.10 2824541.42 2754214.00 1630379.47 2114498.54 566701.00 1400515.71 1645234.00 1493452.00 1113857.50 625832.00 1840482.00 1459064.00 8223263.00 1186569.00 2562173.50 1340801.00 1101046.00 646943.00 1184708.00 793577.67 950552.00 2261665.40 4466930.00 1385773.00 1895392.00 2903429.00 772965.18 4062363.67 2039710.00 6514891.50 2092372.00 2904717.09 1567502.57 2793617.22 1219418.17 1964483.92 2597483.27 3024457.47 804041.94 1582102.31 1410258.75 2386956.29 1805773.00 2339178.67
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-
20156.40 19603.00 20819.20 22349.60 11843.00 14847.57 14344.33 16521.60 - 12993.38 18376.25 - 20209.00 19063.00 13931.00 18466.50 - - - 12833.00 11407.00 21671.00 15921.00 - - 14627.00 10842.67 - 14636.50 - 19506.00 34089.00 - 17244.50 - - 19614.00 21946.00 38358.27 9604.67 23762.00 8997.80 9035.67 26632.20 34965.30 8426.40 17071.33 11977.29 28210.11 13108.89 17535.40
2-HYDROXYBUTYRIC ACID (M-H)-
84399.64 110255.28 74839.39 107967.82 166173.00 135891.00 80222.70 164529.47 59894.00 143315.00 119967.23 207325.00 203309.17 233867.40 144324.29 282040.50 143349.00 377525.00 281789.00 84536.00 206849.00 213259.50 294601.00 47457.00 25602.00 43833.00 65001.50 149734.00 88837.00 173803.00 244901.00 117764.00 198101.00 196273.36 350989.17 196074.00 497423.00 220418.86 329999.22 152299.19 285960.56 189180.94 261194.08 194174.27 225122.68 131761.94 114739.54 119236.62 105945.21 115596.20 146396.78
2-METHYLMALEIC ACID (M-H)-
38165.50 53392.50 121852.00 29028.00 12332.00 - 22595.00 31912.33 - 25151.00 16972.00 - 38075.33 36700.00 - - - - - 57248.00 - - - - - 52130.00 26656.50 - 40173.00 43309.00 - - - - - - - - 19775.00 19809.75 - 15440.50 22661.00 31788.50 - 15455.00 17604.00 23455.00 44781.00 24969.67 31971.00
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
102090.64 163604.83 122532.17 172549.36 116998.76 136267.38 84762.90 144600.05 89631.00 128228.18 163242.62 70257.00 110647.00 127578.20 94823.57 105685.25 40545.00 96647.00 198205.00 139811.00 96994.00 155166.75 132675.00 92297.00 31325.00 91091.00 80852.67 38997.00 128695.80 124317.00 156395.00 107423.00 371556.00 110675.36 116627.67 121051.00 165086.50 185570.71 245400.70 64414.24 151535.78 104291.94 130899.00 147397.45 180678.42 111410.94 175055.31 95360.06 168814.14 97332.60 116747.67
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
31114.27 26291.39 31509.17 45295.36 39737.65 45930.42 29116.40 33794.12 13543.00 55653.41 49407.82 19370.00 60572.04 63981.25 24529.67 33652.25 56259.00 20575.00 4449.00 40593.00 53630.00 47729.00 89057.00 26705.00 9607.00 18528.00 44613.00 10092.00 25840.80 48367.00 134767.00 33618.00 10947.00 68360.09 41968.00 74791.00 82909.00 65239.14 65586.86 35477.00 52134.33 66280.43 73796.33 32332.27 42960.53 34708.50 38775.92 29788.94 35136.31 51312.40 40404.67
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
2534730.64 2741772.06 1824142.94 2559275.18 2246801.53 2614095.31 1611189.60 2025362.11 2160443.00 2192200.29 3065874.62 2084323.00 2506169.29 3474589.80 1947176.71 2710156.25 3667228.00 2541941.00 2790444.00 3191651.00 2930567.00 3278828.75 2583925.00 1742667.00 1592139.00 2442059.00 2165434.80 4040576.00 2297607.00 4066773.00 2911037.00 2944437.00 2292293.00 2604963.55 2998070.67 2557877.00 5927334.00 3179105.71 3869291.39 2370874.35 2916137.67 2577570.78 3141252.42 3045493.55 3305532.74 2102646.59 2598968.54 1938569.69 2383613.29 2114880.15 3446245.22
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
3822219.09 4327221.61 4929648.39 6167405.45 4156074.76 5141445.77 3129221.50 4555124.42 2184254.00 3964494.00 4915397.77 3025696.00 4254976.42 5574401.40 3035810.29 4885341.75 4745120.00 4710994.00 5497042.00 5485521.00 4801004.00 5020394.00 5051052.00 1897606.00 1997004.00 2825073.00 3287790.60 5356985.00 3741750.80 6246121.00 4453747.00 3900419.00 4367049.00 3967861.82 4729329.00 3675118.00 9182955.50 5429920.57 6396966.83 3822374.10 4729628.89 4689928.61 5378164.33 5119075.45 5192721.32 3892941.00 5287530.85 3333222.50 3778806.50 3619966.65 4868317.44
4-PYRIDOXIC ACID (M-H)-
68963.64 57730.71 78189.67 62354.75 47065.31 57038.54 38097.56 45435.58 77075.00 59949.24 65337.08 16147.00 42000.61 42044.00 94236.67 84327.25 34190.00 75210.00 - 54175.00 23905.00 39890.00 32700.00 103732.00 70401.00 43906.00 49257.40 52945.00 56644.40 95130.00 64199.00 47218.00 58766.00 107757.91 44099.00 29685.00 48680.00 33346.33 43052.28 46873.32 60666.00 76021.00 93592.10 76269.57 66704.50 84168.06 88094.25 59417.80 59052.50 46686.89 46988.38
5-HYDROXYINDOLEACETIC ACID (M-H)-
10099.25 8307.08 10028.08 9111.83 9448.85 12266.25 6916.67 8168.50 - 11815.70 14104.82 5860.00 12590.08 10446.00 9834.17 11943.67 - - - 9338.00 10741.00 12014.50 14479.00 - - 9031.00 13108.50 - 9827.33 6841.00 16233.00 12602.00 - 14947.62 7301.00 18635.00 8450.50 9162.57 13311.64 8696.50 13488.00 9362.71 9799.67 9278.86 8460.31 11146.00 10957.90 8426.40 11630.62 11535.50 8436.67
ADIPIC ACID (M-H)-
26151.55 25000.35 29089.83 31047.36 28159.00 25822.25 17649.78 17333.61 16575.00 22794.59 26310.92 22917.00 28722.83 23881.80 18410.71 23270.75 46378.00 14672.00 14651.00 17558.00 18236.00 21173.25 26146.00 18688.00 17629.00 21425.00 25012.20 18267.00 21555.80 41272.00 41353.00 26232.00 20789.00 27785.09 21075.00 25594.00 37088.50 25678.86 30255.91 26012.35 17241.33 30953.89 47827.67 22239.27 24056.00 30285.50 25109.08 27009.88 25525.14 19175.05 21305.44
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-
85814.00 110817.67 81217.39 114267.36 166966.76 139967.69 83013.50 165957.42 65152.00 147121.88 128091.77 225095.00 209912.29 245197.20 145908.29 283949.25 167529.00 381468.00 282836.00 84360.00 206845.00 213407.25 295193.00 52145.00 27273.00 45181.00 62715.67 141721.00 89756.80 175872.00 244881.00 120199.00 198907.00 210854.73 314080.17 195457.00 502590.00 221554.29 335916.61 159678.71 289908.00 191694.89 263254.17 198433.64 223480.05 142276.82 123071.85 119879.69 107884.93 117741.15 151132.78
ARACHIDIC ACID (M-H)-
23084.22 37975.25 26153.50 22068.57 49834.36 24908.00 26239.33 42460.38 7089.00 28140.53 37660.29 - 33004.73 52172.67 25228.25 32185.00 15499.00 18074.00 57766.00 29216.00 13164.00 34771.33 - 5770.00 4033.00 42015.00 51093.40 4961.00 43538.80 243966.00 19855.00 63816.00 5612.00 19991.38 20962.75 - - 21553.80 26712.58 41396.11 25347.67 55794.38 75723.25 47060.25 43657.38 36699.15 82803.88 29540.70 41657.00 27450.29 28934.67
ARACHIDONATE #2 (M-H)-
3417583.18 2749426.94 4098158.06 2288953.55 6456776.59 1724393.23 1863632.00 4011428.21 278230.00 2554443.94 3091655.31 916520.00 3955640.46 7819756.00 3634102.00 1785936.00 50240.00 349435.00 2216913.00 2282525.00 526626.00 2031618.25 5551149.00 2748754.00 5910534.00 5652320.00 6604505.17 1742781.00 9084372.40 25553248.00 4056486.00 13318212.00 982729.00 3846460.73 1683467.00 5679799.00 4188910.50 1721720.71 1549469.57 4987741.52 1967472.44 8817296.67 7499902.75 4998752.18 2423801.63 4743095.82 6875860.62 1927680.06 2485976.86 4085574.50 2587039.11
ARACHIDONIC ACID (M-H)-
3363384.00 3519380.33 4061944.83 2716010.18 7692974.94 1979017.38 1863095.40 4386861.53 1438975.00 3449439.06 3301762.23 912747.00 4542137.46 7870077.20 3759420.29 2331037.50 1281827.00 1965166.00 7067392.00 2282754.00 527783.00 2079864.75 5540098.00 1727075.00 3065241.00 5671410.00 6576579.67 1471558.00 9042605.40 25655744.00 4068496.00 13221680.00 686531.00 4065191.45 2528627.67 5666478.00 4176161.50 1712474.00 1388655.17 5107559.24 2967785.00 9469216.33 7493930.83 5464151.18 3480857.58 5847992.18 6916687.85 2501775.25 2763137.43 4057374.65 2951636.78
BEHENIC ACID (M-H)-
10930.33 17187.00 9694.50 7816.25 14307.67 9142.43 7506.43 11770.79 3153.00 10634.06 13445.50 - 14080.24 17786.00 13347.00 9415.00 5003.00 7244.00 19336.00 22948.00 4574.00 13532.50 - 14187.00 3313.00 32614.00 25950.60 2079.00 15001.60 62273.00 6636.00 26044.00 - 7648.20 7612.33 - - 10019.17 14340.18 15512.16 6150.00 16555.92 17198.60 10879.70 9475.80 14807.86 49873.50 10096.60 26377.80 10477.25 20194.14
BENZOIC ACID (M-H)-
9059.00 6418.20 6476.86 5446.00 7533.20 5427.33 4701.67 4998.25 - 8480.88 7968.60 - 5869.00 7000.67 6656.67 - - - - 5782.00 4290.00 3493.67 - - - 6983.00 5201.00 - 8279.00 8592.00 9277.00 6435.00 - 5269.20 - - - 7304.50 7222.29 4146.89 - 6142.43 7206.50 5671.33 6701.17 5439.25 6436.43 4279.00 11002.62 5748.25 5244.67
BILIVERDIN (M-H)-
11273.00 23694.67 9249.60 8771.17 14170.23 11376.00 10134.75 15224.31 - 14121.90 27934.40 - 18617.85 21768.67 12421.50 12176.00 - 4955.00 12544.00 25419.00 17376.00 17835.33 - - - 11060.00 17269.50 - 13619.40 21514.00 18831.00 29292.00 - 14764.60 7490.33 - - 14238.40 18948.33 17628.54 10320.50 16657.36 18726.83 9141.50 14239.38 16965.88 13826.62 10394.33 13159.56 18329.69 17844.00
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+Cl)-
36022.62 59983.46 47843.93 48076.00 91417.17 36410.64 44785.75 48953.80 31127.00 73103.92 36303.44 20334.00 62800.38 75207.00 60601.29 77324.25 47583.00 135528.00 225677.00 - 11737.00 38487.25 28308.00 10741.00 35305.00 - 68632.75 14939.00 - - 43573.00 65443.00 15043.00 40143.11 97953.75 23506.00 26536.50 40568.83 65929.47 49963.85 59308.00 83701.07 92873.56 51010.14 58868.06 67085.33 34131.25 45578.33 51590.50 44582.33 35828.00
CIS-11-EICOSENOIC ACID (M-H)-
1197254.82 2179054.83 997445.06 424918.18 2615022.47 226301.00 473417.20 1385518.16 373443.00 664689.29 1069914.54 71036.00 1368571.75 2194002.60 1096583.86 1164833.33 711270.00 478597.00 5289505.00 190347.00 22197.00 174589.00 475646.00 55795.00 148265.00 841149.00 2525914.83 266161.00 2618816.00 12473824.00 336323.00 5002718.00 47654.00 1263456.82 620799.33 219801.00 231019.50 212309.43 331574.70 1906014.38 827268.89 4107142.56 4099684.67 1577646.18 1825640.79 1666797.76 2424289.62 734176.81 969983.57 1339090.10 507010.00
CIS-VACCENIC ACID (M-H)-
21009184.55 33259023.28 43281265.22 23534732.64 95712995.88 13708913.15 17080719.10 53474951.63 29202980.00 40629054.12 41601357.85 5228395.00 54136133.88 89106619.60 42789687.14 39144712.25 41459084.00 30703480.00 131830776.00 6608572.00 1105304.00 9504722.00 28306500.00 2361722.00 7068071.00 36471644.00 99548653.00 17514920.00 65573074.40 279035904.00 19993492.00 161255840.00 2334576.00 47225603.64 37694651.17 24995352.00 11928564.50 10831865.86 15855520.22 64186139.57 36207379.89 102914074.00 88046514.67 63597440.45 55400553.95 74525116.76 65341873.62 33099268.81 37314456.50 39914123.80 25787405.44
CITRAMALIC ACID (M-H)-
21855.29 15530.46 21120.71 24931.00 24437.64 37266.38 11796.62 31611.38 24957.00 116496.29 128110.23 3268.00 28026.77 17556.60 58880.00 33732.00 9004.00 17246.00 29275.00 51853.00 13443.00 22313.25 7534.00 30688.00 10863.00 14133.00 25137.17 18329.00 37533.80 29222.00 9227.00 14815.00 - 29456.27 24958.17 - 13810.00 14966.80 21740.30 21380.22 38320.67 18829.59 15501.10 37231.09 34199.89 17166.64 25942.25 16918.08 23454.07 33022.11 28165.78
CITRIC ACID (M-H)-
3585707.44 2904543.88 2062336.60 3851066.20 2466788.38 2491069.25 1789196.75 2693857.14 694227.00 2900252.50 1918489.50 1795117.00 3171409.77 2660565.00 4188801.75 2369456.50 - 5663290.00 3388281.00 - 1046754.00 1461248.50 1161301.00 1273434.00 1854459.00 790591.00 1807167.25 3513948.00 2488841.00 367282.00 2428964.00 - 5075149.00 2315595.00 5170946.33 1226761.00 1337666.00 1763058.60 3069017.43 2123603.24 3721456.89 2944466.93 3087584.70 2992330.80 2789240.25 3057522.00 2962102.67 3333952.43 3191401.33 2553843.94 2474489.12
CITRULLINE (M-H)-
10381.00 10927.22 8190.75 10664.12 6978.67 7103.57 10560.50 7808.00 - 9432.25 12678.00 8706.00 9434.33 14284.00 3150.00 9282.67 - 9539.00 8324.00 - 7686.00 8272.33 4220.00 - - - - - - - 11340.00 - 9619.00 9340.00 8547.00 8170.00 7576.00 13828.67 12601.90 6323.29 9821.67 8020.80 9171.50 6640.33 7356.20 8287.71 12431.00 9775.14 14861.00 7344.50 10185.25
DEOXYADENOSINE (M+Cl)-
3552.50 5494.06 3596.06 5068.30 6938.21 5568.18 3679.00 6741.53 - 5411.08 5811.15 7826.00 6415.88 9276.40 4805.57 9701.50 2827.00 12254.00 13355.00 3728.00 10543.00 6435.50 14700.00 1137.00 602.00 2092.00 5088.80 2878.00 4017.40 7870.00 - 7485.00 8171.00 7301.36 12290.50 10792.00 16374.00 7809.00 11336.61 7199.50 9786.67 7571.28 7929.75 7552.30 8561.06 5774.24 5354.00 5400.40 4902.36 5064.15 6378.11
DEOXYCHOLIC ACID (M+Cl)-
27490.33 33671.43 322210.39 110509.36 22336.13 32006.25 10685.33 22451.19 2296.00 19397.92 20012.73 2746.00 13802.19 8596.60 10995.33 15347.00 5248.00 1794.00 - 18771.00 3133.00 5285.25 - 5887.00 - 3892.00 9893.75 3003.00 30239.40 14201.00 5860.00 19578.00 56824.00 18844.00 3147.00 - 11214.50 47244.00 25725.17 15973.15 8778.80 13037.36 9863.29 20942.22 12280.00 17954.24 20656.10 41811.07 28299.50 28615.62 30603.25
DEOXYCHOLIC ACID (M-H)-
74848.83 65977.00 484492.11 347505.09 103812.94 105003.00 44703.44 73887.53 - 48450.46 72376.36 19354.00 47391.76 42748.00 54193.17 54582.00 19100.00 - - 49130.00 9784.00 16253.75 8054.00 13344.00 18959.00 7490.00 40470.00 8926.00 109726.00 58523.00 33919.00 87478.00 27745.00 84481.38 11051.67 39170.00 47449.50 197609.50 88424.21 49849.94 37114.50 47523.83 37391.56 89792.70 48762.77 69511.69 99391.56 137868.80 56841.54 94137.79 122903.50
DEOXYURIDINE (M+Cl)-
28664.09 28283.06 29323.44 33465.09 36312.88 35445.62 26715.33 33818.94 25579.00 36511.59 39260.85 28729.00 35585.67 46060.20 31001.71 30208.33 26040.00 28084.00 12370.00 34374.00 66172.00 44193.00 40797.00 19859.00 31343.00 28608.00 24539.67 88566.00 43405.60 25088.00 41272.00 48215.00 32048.00 41553.55 33890.00 29507.00 61127.50 44686.71 41865.22 31099.21 28827.00 38003.89 31934.75 26650.36 32862.00 31926.41 35033.77 34693.50 38526.93 34957.45 33976.44
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-
21214.27 32463.89 25891.53 18356.45 16036.53 14601.54 10437.89 15724.06 6118.00 18451.76 20788.92 16888.00 10610.95 10291.40 14963.71 25023.33 11313.00 11796.00 15986.00 17590.00 10357.00 15807.33 24497.00 8983.00 8118.00 15560.00 15907.33 4214.00 17608.40 11283.00 10975.00 7548.00 12009.00 8638.73 10724.75 10749.00 6874.50 53198.86 33963.65 13821.24 10610.50 14351.59 12774.36 20306.64 24349.53 10880.94 12529.33 14657.86 25808.85 20571.10 13758.22
DOCOSAHEXAENOIC ACID (M-H)-
1451648.73 1734964.28 1660830.22 1053732.64 4178414.35 1066533.38 994407.50 2320247.89 1629025.00 1564307.88 1672946.85 381023.00 2420872.79 4167773.60 1473074.14 1070742.25 2632830.00 599921.00 2514412.00 505630.00 273067.00 1058644.00 2582637.00 463205.00 882775.00 1973906.00 3393113.33 1572502.00 3894634.20 13514916.00 2875339.00 5627294.00 257177.00 3042188.45 1356019.50 3735938.00 2408260.50 629412.43 670422.65 2366763.52 1371516.67 3868124.67 2511566.33 4570858.55 4234372.05 3117516.65 2725137.92 2276879.81 1539554.86 2024257.35 1487004.00
EDTA (M-H)-
5338052.00 3721036.00 4387587.33 19745452.00 5146506.75 - - 4315122.67 - 3400163.50 1936317.50 - 5293010.00 - - - - - - - - - - - - 353441.00 5474052.00 - 6078394.00 8668596.00 - - - - - - - - 1912127.00 4375051.50 - 4795197.67 157351.00 5565063.33 - 7906916.00 5896818.00 5502714.00 4617965.00 4495814.00 2015074.00
ELAIDIC ACID (M-H)-
20825917.73 33224099.50 42951315.06 23507815.91 95103748.00 13906159.31 17109816.50 53250292.89 31347216.00 40364792.59 42381525.23 5212637.00 53527143.33 88687242.40 42679919.86 39078068.75 46013880.00 30666936.00 131580064.00 6627706.00 1108395.00 9513082.25 28336804.00 2548814.00 7499027.00 36020084.00 99728436.83 17250348.00 65246338.60 278042688.00 20048730.00 160823440.00 2325322.00 44700315.45 37932397.33 24951000.00 11896553.50 10792655.57 15902289.13 64100062.52 36139835.33 102805553.39 87557845.92 63155324.00 54007682.32 73905664.24 65368635.85 32662930.31 37319308.00 39838532.95 23325708.89
EPIBRASSINOLIDE [ISTD] (M+Cl)-
614998.36 620960.33 619541.72 649530.18 687092.06 524697.00 479848.50 640245.68 282309.00 584274.18 692611.92 664729.00 575453.46 778751.20 714192.14 537096.25 261156.00 376529.00 524674.00 738229.00 746177.00 670288.75 708919.00 231182.00 333108.00 789110.00 715730.50 256191.00 859952.80 934738.00 797266.00 1169028.00 453235.00 629782.91 425828.50 657403.00 657485.00 715037.43 553323.09 591823.33 513032.89 725847.22 611404.42 623567.64 625673.47 597584.00 630615.77 586440.31 652372.50 657931.40 611275.33
ERUCIC ACID (M-H)-
940237.82 988653.83 27459.75 20084.11 58418.40 13821.11 20228.25 49233.60 13000.00 26344.81 38935.64 - 46469.45 37967.40 28836.50 19210.33 19048.00 12210.00 59111.00 16917.00 2941.00 7787.75 11608.00 6272.00 7381.00 41203.00 44958.80 6956.00 36017.80 171312.00 4314.00 55650.00 - 17031.80 17359.60 6205.00 11117.00 20621.40 22177.18 33552.32 14489.57 179965.61 203662.42 77948.40 151985.50 39086.21 49391.00 71159.44 125777.29 29018.33 21327.33
GERANYLGERANYL DIPHOSPHATE (M-H)-
8156.86 7784.64 11251.67 9589.67 11493.11 11988.62 13367.62 8810.50 14799.00 12056.54 14768.00 8332.00 8154.95 14972.50 5453.25 10414.75 18227.00 9662.00 8832.00 - 10506.00 9940.75 21188.00 5620.00 7084.00 - 2622.00 8151.00 - - 10114.00 - - 10443.56 8739.83 13424.00 10066.50 8341.25 9522.89 8816.75 8011.00 15061.73 14236.33 12864.29 15581.00 11883.75 9216.00 9792.62 8241.38 7992.15 7871.86
GLUCOSE (M+Cl)-
3018767.36 3673219.44 2909640.06 4313250.82 2688320.88 3681272.00 4974051.60 3696503.82 692106.00 4075837.71 2906272.00 4864740.00 3078538.04 3013553.25 3163913.29 4900435.33 770150.00 3167054.00 5393630.00 550408.00 7178417.00 4609324.50 7388722.00 833816.00 722118.00 1544724.00 899716.67 715986.00 1510407.20 1572237.00 5790725.00 1744469.00 4616679.00 2820704.90 3497744.50 5872125.00 4758347.00 2926425.00 3026873.70 2170831.38 4096442.00 3191893.56 3971100.33 3116833.27 3469464.53 2742999.41 4409142.77 4160669.67 2915598.50 3136233.75 3982660.25
GLUTAMINE (M-H)-
63718.29 93248.75 72141.50 117001.40 65180.64 72192.60 85879.83 72322.71 - 74861.15 68270.50 48639.00 59612.62 60411.67 51235.75 79467.25 - 100853.00 80372.00 11192.00 66083.00 76766.50 63380.00 - - 33669.00 32342.50 - 16641.33 50699.00 141949.00 - 103878.00 77277.00 71089.20 82532.00 41507.00 77746.20 82965.19 49078.80 66797.00 63862.83 88931.11 71910.38 97662.50 67596.73 99937.45 87229.00 82109.12 62528.31 91969.17
GLUTARIC ACID (M-H)-
21061.67 21274.47 16932.81 27347.55 77955.00 43152.23 24025.50 64708.82 2825.00 15689.62 29003.83 10243.00 20519.61 14878.25 12680.67 15725.00 - 15441.00 - - - 11872.50 6413.00 1394.00 - - 25684.00 6652.00 12959.00 - - 26091.00 64863.00 28647.86 12718.00 12292.00 20785.00 14817.00 37937.36 16786.38 16318.56 14460.23 18299.45 25318.12 33121.72 22629.55 29474.25 24075.62 39826.00 15222.11 14828.67
GLYCOLITHOCHOLIC ACID (M-H)-
14721.14 9641.71 9056.20 25595.50 8794.09 23430.83 12342.17 18667.78 3605.00 12245.00 11582.71 7333.00 14185.00 6112.50 5659.00 14288.50 - - - 17705.00 10997.00 15363.00 - 8863.00 3356.00 1990.00 4492.75 2271.00 3405.00 9940.00 - 3158.00 - 5798.00 - - 12627.00 7657.67 6728.00 8282.08 6516.00 10594.67 6646.60 6302.33 5414.25 10289.89 9784.67 6800.71 10271.38 11514.11 14963.80
HEPTADECANOIC ACID (M-H)-
415780.64 718724.06 557534.50 421181.27 1500129.29 169845.77 396973.60 723494.11 237686.00 682521.82 986328.69 71276.00 9564495.88 2791320.60 1205635.00 664591.50 329113.00 1155908.00 2286177.00 348514.00 47508.00 168069.25 381013.00 38356.00 173355.00 761730.00 2394406.00 206570.00 1754261.40 7540230.00 355633.00 3228941.00 129631.00 1860639.91 604503.17 265204.00 175197.00 460335.57 636553.04 1314394.57 478108.67 1276312.00 831994.08 622274.00 1453211.37 754807.82 588815.69 602396.25 583917.50 516246.75 908295.67
HIPPURIC ACID (M-H)-
1448059.91 1311327.78 1537528.56 1468485.64 2156981.76 1991119.77 1092899.40 2007773.68 4836356.00 2364474.82 2484144.62 250284.00 430572.21 503359.40 1024636.17 899588.25 323748.00 549840.00 229265.00 448037.00 263705.00 618423.25 408189.00 447035.00 444659.00 881950.00 635881.33 115406.00 1390667.20 274648.00 482749.00 831809.00 582598.00 855263.09 555295.60 223337.00 346825.50 862795.86 1005173.65 603447.95 1114547.11 909291.44 740093.75 1193191.09 1185810.21 1477646.44 1208059.85 957591.31 1106640.00 712491.83 466509.22
HYODEOXYCHOLIC ACID (M-H)-
753953.64 522049.24 470970.00 425855.64 824088.71 289791.38 289995.80 546418.63 54116.00 527061.00 397475.62 151664.00 461646.54 844094.20 714487.14 623333.25 93676.00 975507.00 1562807.00 179796.00 40121.00 210669.75 247079.00 27152.00 229853.00 1400411.00 782400.50 221819.00 673523.20 1204182.00 347665.00 946671.00 - 412716.91 590707.33 321428.00 159356.50 177666.71 388069.57 490397.71 509315.00 872572.61 781040.42 825078.64 493913.00 487925.94 727483.23 461985.93 400984.93 499243.55 289219.22
ISOCITRIC ACID (M-H)-
1523769.64 1963971.72 1052370.83 1490428.82 1068600.18 1469669.38 1643850.20 1311959.24 1239071.00 1644301.88 1683436.69 2307684.00 1547938.67 1854750.20 1375313.29 1619013.25 1610427.00 1506245.00 922861.00 - 3351127.00 2980754.50 1729561.00 436416.00 2718682.00 695122.00 783499.40 44653.00 440123.00 389408.00 946285.00 944478.00 2741383.00 1598985.00 1896519.50 1578213.00 1576477.50 1733952.71 1847721.82 1492339.65 1540256.00 1425869.44 1438035.91 1660847.00 1333751.16 1925370.24 2003620.75 1998154.40 1775316.64 1826162.60 2217498.67
ISOLEUCINE (M-H)-
150580.36 147819.61 133797.39 171292.36 164066.41 168506.54 107553.10 163520.63 61555.00 163646.71 230676.23 157653.00 154978.38 190146.40 128384.71 138780.25 33041.00 156141.00 61262.00 184100.00 171798.00 194177.25 142388.00 21066.00 42522.00 215197.00 113587.17 143708.00 182726.20 178535.00 196307.00 137303.00 155403.00 172259.00 145117.50 154179.00 187548.50 236851.57 254327.26 108294.81 131893.56 142491.06 124669.08 140835.45 154813.53 126361.24 178717.62 143896.56 178179.43 136117.65 177219.11
ITACONIC ACID (M-H)-
38165.50 53392.50 121852.00 29028.00 12332.00 - 22595.00 31912.33 - 25151.00 16972.00 - 38075.33 36700.00 - - - - - 57248.00 - - - - - 52130.00 26656.50 - 40173.00 43309.00 - - - - - - - - 19775.00 19809.75 - 15440.50 22661.00 31788.50 - 15455.00 17604.00 23455.00 44781.00 24969.67 31971.00
KYNURENINE (M-H)-
19018.18 15508.39 12266.18 16876.64 13926.82 17250.83 14139.12 17271.95 4486.00 17361.53 23838.54 12061.00 14921.52 18619.60 18700.00 15622.50 - 12045.00 11738.00 13677.00 24015.00 21649.25 10756.00 4465.00 3774.00 17823.00 15708.80 - 19180.00 18636.00 17211.00 17332.00 31826.00 18009.18 13322.60 22058.00 13339.00 20259.00 18555.57 10565.05 15752.56 16799.67 17093.92 16205.82 17081.06 15214.75 16073.85 15811.75 18492.71 14006.50 12801.67
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
97337.00 89670.29 86983.44 80869.00 98925.12 65577.46 64264.60 94846.26 54973.00 82962.88 97224.15 79883.00 88554.88 119399.80 87726.43 72789.50 114911.00 70633.00 94343.00 113101.00 95117.00 80625.75 73253.00 36050.00 68706.00 130610.00 97134.33 70403.00 126973.20 170163.00 61204.00 135727.00 75408.00 84900.82 60670.17 77635.00 69150.50 98992.00 83064.22 87208.62 64839.78 118889.11 98862.92 88858.82 93541.84 97359.00 88868.31 84520.31 98115.14 97834.20 85634.89
LAURIC ACID (M-H)-
19104.33 20511.71 19375.44 18613.33 26014.40 13637.00 15635.25 20826.00 - 21149.50 32917.20 - 47242.22 41321.00 30971.33 - - - - 9259.00 9092.00 19631.00 - - - 12910.00 42739.50 - 24938.20 72093.00 27540.00 38694.00 - 28946.80 - - - 19198.20 61717.00 40694.08 - 42023.89 34106.75 27919.17 21241.71 29959.00 31550.00 23831.60 21944.12 21772.90 25453.00
L-CARNITINE (M+Cl)-
10263.20 10689.83 13378.71 15136.78 10189.38 9950.80 14704.67 10853.62 - 12038.22 13708.50 12469.00 11112.21 13548.00 9782.50 9229.25 - 11353.00 3704.00 - 12025.00 9632.25 11009.00 - - - 1492.00 - - - 12836.00 - 14757.00 11071.33 10501.80 11293.00 7772.00 8855.75 9907.77 10971.50 14187.22 14587.78 16106.75 10977.60 10645.17 11577.78 15985.00 13053.09 14246.67 11875.09 16285.20
LEUCINE (M-H)-
153335.91 149055.39 133210.11 171397.36 163620.00 169972.54 107083.50 163165.05 61498.00 164089.18 229846.54 157510.00 156774.00 189771.80 127769.86 139005.25 33011.00 155404.00 61085.00 183951.00 160568.00 192501.75 142255.00 21046.00 42483.00 215057.00 113485.33 143577.00 182574.60 178369.00 184205.00 137177.00 155470.00 170798.55 144072.33 154035.00 187376.00 243199.43 255922.04 109198.62 132091.89 142896.56 124514.08 140992.91 154841.53 127080.76 178860.00 144007.69 176092.43 137664.10 176223.22
L-HISTIDINE (M-H)-
35360.89 42422.19 33953.38 47694.82 29402.69 31487.50 28505.29 30826.53 - 33906.36 34847.73 31877.00 34222.63 33103.80 29398.14 35650.50 - 51520.00 35458.00 19012.00 19462.00 33797.00 22277.00 - - 29372.00 17778.00 - 29253.60 32998.00 41817.00 17884.00 43147.00 35862.00 40640.80 36549.00 31432.00 30031.57 39058.78 24375.76 36247.56 32307.31 35915.00 27116.44 29950.19 33085.50 40582.92 36351.29 33506.09 31427.17 43992.57
LINOLEIC ACID (M-H)-
11419751.45 16247846.17 17640197.72 11023030.55 41763692.12 4832374.00 5013800.30 18013886.32 713578.00 14843372.65 13685139.46 4540228.00 28827071.71 38925362.20 22747802.86 8517605.00 515846.00 4819413.00 50190604.00 11198478.00 988294.00 6210914.50 15406662.00 2597424.00 4574085.00 37785080.00 69275801.83 2978938.00 55799639.60 143746144.00 10383198.00 103180480.00 2883924.00 19053282.45 14323116.67 25695596.00 12547976.00 5857147.57 4568620.96 34174906.33 16751787.78 41561928.17 32601207.25 13061210.27 9736172.58 36062242.00 33794045.15 13066532.12 11326923.29 18960277.25 14772056.33
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
196540.18 187228.33 177590.11 214217.45 199878.94 164120.08 136779.30 197563.53 56287.00 179119.71 186859.69 230640.00 177402.50 216633.20 214625.14 206945.50 54282.00 198183.00 210899.00 176291.00 237901.00 190288.25 217717.00 40511.00 72744.00 258109.00 174610.00 71955.00 219101.00 214669.00 206156.00 236667.00 221063.00 172194.91 153843.50 203153.00 155493.50 211706.43 166234.61 161057.24 180195.33 198716.33 174191.00 173049.91 177054.37 183361.00 200928.15 188102.31 192195.79 198151.00 173496.67
MALIC ACID (M-H)-
194093.18 243507.61 154116.94 404692.27 252749.41 166815.77 247223.40 234794.00 71272.00 362408.19 192336.25 346260.00 131210.88 96038.00 131049.71 197766.00 109974.00 299356.00 175765.00 - 117004.00 139866.00 131937.00 33031.00 134820.00 26609.00 116801.50 169141.00 67603.60 18471.00 100856.00 98114.00 352971.00 90007.09 525652.83 194808.00 129632.00 591619.43 619344.57 185253.19 178151.33 135525.11 182242.67 270568.36 357667.53 189009.75 197018.00 167806.20 204885.14 243898.65 182552.12
METHYLMALONIC ACID (M-H)-
93020.75 95777.67 98617.82 27264.00 65494.71 63008.17 32669.40 43126.17 63521.00 24446.00 49789.80 - 87143.22 - 97199.00 - 38082.00 - - - 275901.00 181557.33 - 29154.00 40985.00 - 43810.50 45874.00 61867.00 - 113149.00 193985.00 - 128431.38 34090.00 - - 80958.00 141655.62 84353.09 - 81871.50 38692.50 77262.60 49814.50 51948.50 94228.75 37052.60 44088.00 151083.00 86778.00
MEVALONIC ACID (M-H)-
21787.33 9922.33 12209.56 161506.00 15334.14 10084.50 130291.00 19606.25 30356.00 8347.14 14915.25 - 12205.80 7614.00 - - 4618.00 - - - 3577.00 5833.67 - 3577.00 6093.00 - 1220.00 22949.00 4464.00 - 5652.00 - - 15890.50 3114.00 - - 26308.00 8109.71 13357.60 - 7358.60 11429.33 22761.50 44716.86 8371.00 18459.50 36665.50 20749.83 12762.38 8902.75
MYRISTIC ACID (M-H)-
838150.09 961094.11 1311920.78 707188.45 3508871.88 343494.31 730059.10 1882144.95 805641.00 1006641.06 1975312.69 192789.00 2896619.21 4902533.60 2231686.29 1010136.50 1621595.00 1239091.00 4080661.00 1585776.00 115820.00 276466.75 749608.00 166195.00 309431.00 1855265.00 4653040.67 469814.00 4855662.60 17278980.00 403136.00 7030990.00 387095.00 1607292.27 765954.17 652925.00 343869.00 996012.29 1482170.30 3552205.76 725232.89 3124235.11 1835628.08 1593091.27 1374575.26 2090497.29 1786789.54 903017.88 1189138.07 1422944.70 860596.78
MYRISTOLEIC ACID (M-H)-
157480.43 201532.60 163782.38 52506.50 402880.75 53283.22 53058.86 242850.86 49253.00 164261.76 191221.58 20888.00 337103.62 443562.00 282573.25 285282.67 128121.00 191033.00 358063.00 24438.00 4913.00 35273.33 101362.00 - 9651.00 80744.00 549193.00 52938.00 318860.25 1469013.00 58734.00 575038.00 - 157132.64 139772.17 63752.00 56887.00 116494.00 134743.30 382833.90 132884.67 487953.22 282970.92 309953.75 193842.88 237841.65 216975.40 131159.46 144605.25 217139.95 174904.80
N-ACETYL-DL-METHIONINE (M-H)-
10282.12 8385.77 10179.50 9279.33 9822.15 12558.88 7154.33 8327.86 - 11977.40 14411.64 5996.00 12849.92 10566.20 9924.67 12134.00 - - - 9486.00 10776.00 11889.75 15126.00 - - 9018.00 13361.50 - 9987.33 7008.00 16286.00 12922.00 - 15308.75 7140.00 18658.00 8659.50 9344.14 13618.36 8825.33 14030.67 9502.93 9833.50 9482.14 8631.77 11255.30 11050.70 8518.10 11801.00 11734.07 8569.50
N-ACETYLGLYCINE (M-H)-
9910.00 23008.00 21051.17 22059.75 10478.00 18583.38 34891.25 10034.00 - 29495.83 28505.75 28552.00 17771.91 44807.00 - 84155.50 24942.00 - - - 10868.00 23474.00 22312.00 14547.00 28581.00 - 14996.50 5732.00 - - 27787.00 - - 16934.14 9471.00 - 12435.00 27064.00 21457.75 38667.33 20308.33 29378.67 47850.00 21424.75 23937.67 35814.60 24554.17 38305.50 17482.20 24774.38 25948.80
N-ACETYL-L-ALANINE (M-H)-
81268.55 61380.28 58141.53 54794.00 72870.71 54227.38 53996.00 57470.17 27904.00 77467.76 61246.85 73281.00 75443.83 73368.80 64618.14 75437.25 71043.00 64987.00 60820.00 52713.00 96316.00 76242.75 93080.00 47277.00 42749.00 55069.00 55949.67 52824.00 66485.00 76654.00 113869.00 45900.00 119761.00 76578.45 75426.50 115603.00 49996.00 76049.29 81339.30 51993.24 94737.56 63324.67 66988.83 62724.45 70637.26 75604.24 78157.69 69355.80 62218.21 71603.85 61607.89
N-ACETYLNEURAMINIC ACID (M-H)-
4287.00 5418.10 3618.40 4129.14 3165.57 4185.00 5717.67 4124.50 - 5213.62 4314.83 5048.00 3835.58 4357.00 2940.25 4426.50 - - - - 5963.00 4275.50 6260.00 - - - 4092.00 - - - 5187.00 - 2820.00 6314.75 2911.75 4570.00 3456.00 4164.50 4530.73 4546.38 5224.33 4605.40 4472.00 4875.40 5173.45 3614.00 4370.12 4935.29 3662.40 4413.00 7458.00
NERVONIC ACID (M-H)-
283315.55 293558.22 74494.56 67597.91 121171.94 42763.92 59547.70 103887.58 51931.00 90616.88 111850.85 15175.00 60811.25 93725.20 63721.57 55727.50 35675.00 55739.00 138357.00 62244.00 14999.00 36598.75 56742.00 19236.00 24936.00 119273.00 114455.67 27922.00 84431.60 241720.00 31238.00 150161.00 12517.00 57216.18 49163.17 28593.00 38387.50 52773.43 56227.83 76300.29 44090.00 186874.94 210142.42 134420.82 147518.47 84782.71 103891.69 82620.19 144733.50 69692.30 66794.33
N-ETHYLMALEIMIDE (M-H)-
53593.09 52742.50 24291.06 14468.89 20729.77 24220.69 19171.71 23823.88 - 20201.71 20578.56 - 5852.60 10998.00 14417.25 25121.33 - 19289.00 - 32906.00 7443.00 11757.75 22861.00 5919.00 15449.00 14809.00 11201.00 - 7080.00 9201.00 - - 12557.00 12099.50 - 3359.00 9643.00 39416.14 26446.00 12195.00 12936.57 17745.60 13496.20 56676.09 38650.17 15531.31 10929.82 30874.12 24876.23 18309.56 16569.29
OLEIC ACID (M-H)-
20940195.18 33184592.00 43178957.89 23485849.09 95459071.82 13695947.46 17033720.20 53324923.05 29125852.00 40526763.76 41513378.62 5212110.00 53995595.83 88861488.00 42677853.43 39066180.25 41349588.00 30652300.00 131545752.00 6595746.00 1107352.00 9509524.00 28355848.00 2355485.00 7049404.00 36326516.00 99267674.33 17468664.00 65376271.40 278271712.00 20030120.00 160806160.00 2326337.00 47119639.82 37605007.33 24960696.00 11897641.00 10805350.43 15819153.96 64006742.05 36131556.56 102636752.61 87781409.75 63391857.73 55254363.11 74388190.88 65198918.00 33033169.06 37217469.57 39808905.70 25740400.33
OXALOACETIC ACID (M-H)-[-H2O]
551739.64 664399.47 520029.65 721348.82 659102.47 582613.92 1046614.60 714741.32 1164467.00 610196.94 673818.45 687125.00 593990.61 671161.00 715894.43 711969.75 - 771633.00 780543.00 630148.00 680337.00 696631.00 701129.00 - 240946.00 665985.00 686412.80 37940.00 608760.60 637427.00 720639.00 625434.00 745691.00 525749.45 769464.60 679917.00 671032.00 653830.14 589677.73 625277.35 738760.56 649497.06 606417.08 557652.00 639429.61 648032.71 636836.23 670207.07 613390.92 633861.80 557737.56
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-
- - - - - - 454.00 - - 73628.00 - - 93969.29 - 43644.50 2444.00 - - - - - - - - - - 50878.00 7662.00 - - - 3371.00 - 163343.20 1264724.50 35619.00 110792.50 - - 402882.00 169946.00 - - - 239833.00 1101906.00 510945.50 - 91190.00 157565.00 26600.00
PALMITIC ACID (M-H)-
23470471.18 31869196.89 40143286.78 22387139.82 81319701.88 7674234.15 15546646.70 49326844.58 4109638.00 26836278.59 21151067.31 3883204.00 43195320.04 84056680.40 43848818.86 22454504.75 10492994.00 22354954.00 68759160.00 11861619.00 827621.00 4964726.00 13758201.00 1879819.00 6463495.00 33720632.00 92873447.83 3212729.00 82300489.20 247414176.00 8550262.00 150651824.00 2992971.00 34739670.09 20453841.33 14100199.00 7383842.00 14578987.00 20479969.96 53545428.52 19116522.22 78526252.83 36028832.75 55538401.64 35411656.58 53532029.53 56785697.15 22814219.56 37726697.57 33127511.60 19147816.56
PALMITOLEIC ACID (M-H)-
3290362.27 5213965.56 9394375.94 2296842.09 19920544.88 1660060.85 2034893.90 11519190.05 6243696.00 4670014.82 10485578.38 584646.00 10147893.54 12821283.40 8793490.14 5134727.00 6545872.00 1845657.00 20344496.00 701156.00 142366.00 1033589.50 3659832.00 181732.00 707738.00 3015074.00 19327305.67 2314977.00 11857366.80 66243968.00 3223367.00 37550836.00 362553.00 9353342.27 3872024.67 1644142.00 1298474.50 1890612.57 1657212.17 16828526.67 4660461.67 25147778.67 17245643.08 12499940.09 9472200.05 10807065.29 12747139.54 4658800.94 5054545.07 8951365.90 3482731.11
PANTOTHENIC ACID (M-H)-
14566.64 17448.33 14350.89 16533.64 17585.53 16976.38 11318.00 20106.58 7912.00 17855.06 20686.31 9704.00 11141.38 15137.60 14881.14 21090.25 6500.00 17762.00 9938.00 14268.00 17200.00 18546.75 15205.00 8582.00 7554.00 19541.00 15166.33 7917.00 18766.00 22565.00 22156.00 12243.00 21639.00 19988.09 16009.33 20666.00 14332.00 17818.86 16821.68 12067.47 15958.67 17097.67 20910.00 18003.78 18784.63 17299.88 24600.62 13277.69 19097.57 15422.15 15113.22
PHENYLALANINE (M-H)-
628567.43 582028.18 434104.75 618220.00 670856.27 567529.30 424263.43 692520.29 325216.00 597149.30 1193527.27 582186.00 694093.29 995118.00 707232.29 770905.75 475362.00 658446.00 474875.00 - - 921744.00 1131136.00 334471.00 322909.00 - 736541.00 444968.00 830969.50 - - 800004.00 625978.00 691551.00 619180.33 1552088.00 751720.50 930632.50 1098333.72 609702.75 668902.89 664296.69 563683.00 486059.33 621554.73 680100.64 612485.14 648417.77 673825.38 610485.69 731121.67
PHENYLPYRUVIC ACID (M-H)-
15946.09 14343.06 8662.44 9295.18 9171.85 9565.69 9873.86 13488.25 6548.00 9254.00 16563.23 7232.00 12602.05 16067.60 10857.86 14618.00 5589.00 - 8918.00 13739.00 24426.00 15850.50 13152.00 5896.00 10655.00 13472.00 10575.60 - 12745.80 9472.00 4253.00 9766.00 10731.00 10519.80 8305.00 11580.00 11410.50 11875.57 16736.65 10935.19 12186.67 10387.93 7700.27 9688.78 10421.36 9772.88 10133.08 10951.40 13899.07 11621.80 15545.78
PHYTANIC ACID (M-H)-
89218.45 222556.21 155878.50 223694.64 278914.76 99149.08 262801.50 298088.72 104816.00 316539.59 542735.92 108113.00 383617.58 1013592.00 220425.57 231407.50 133517.00 229633.00 1235074.00 77922.00 41682.00 96338.75 136646.00 13805.00 108158.00 264155.00 508531.50 119498.00 362727.20 1615427.00 149214.00 992865.00 85381.00 226458.36 203925.83 43951.00 109863.00 223835.14 1091162.22 278174.33 156775.67 402863.56 316196.92 153696.18 131269.39 209692.59 274822.23 132568.88 194978.07 221850.37 167787.62
RIBITOL (M+Cl)-
7245.50 11207.33 40391.50 23406.00 5472.00 8780.50 8398.00 7165.00 - 14464.00 13343.50 - 3000.00 4596.00 4023.67 3350.50 - - 5948.00 - - - - - - - - - - - - - - 3892.50 3890.00 - - 21586.00 11564.86 6676.00 5873.60 13808.00 14058.00 16357.00 28615.60 3862.25 17982.50 5469.25 5526.50 6229.00 3742.00
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
12526.86 9009.75 15317.80 7101.17 3936.75 5965.88 7795.60 4562.00 6106.00 13250.55 10656.09 - 5708.73 4494.75 3266.33 5589.00 4787.00 - - 2798.00 1766.00 3295.50 2582.00 4722.00 4408.00 2890.00 4499.60 12232.00 4658.00 2210.00 4354.00 7173.00 - 5540.38 8155.00 - 4665.50 11593.83 16413.00 6008.93 4624.50 10323.92 10005.57 9396.25 8651.75 4396.43 5472.33 11086.60 12960.82 5556.14 8187.33
STEARIC ACID (M-H)-
16064811.91 24572531.56 29093269.67 16983596.00 64681698.29 7236727.77 14853257.00 41503067.84 14732569.00 23813300.00 37546287.15 2313056.00 35844123.58 74317872.00 39294928.29 18542898.75 19861170.00 29258144.00 91996512.00 15762734.00 685254.00 4507459.25 11122873.00 2002398.00 6719360.00 45709192.00 75537240.83 7694970.00 82906172.00 276914336.00 5820248.00 139070144.00 3726535.00 27643327.73 19832846.33 9455227.00 9690907.00 10843861.29 20450406.78 47012309.71 18846226.00 71464684.89 52365479.75 45319889.18 33754026.74 38909269.76 49144835.15 16756690.69 27200151.14 24061918.70 18864390.00
SUCCINIC ACID (M-H)-
153373.09 137223.50 146206.67 146897.09 147823.31 148464.69 115582.60 134626.68 203868.00 114572.24 119096.00 227535.00 170357.42 157815.20 194279.71 157219.00 128494.00 235933.00 223719.00 149691.00 203377.00 174616.25 210303.00 174229.00 147487.00 129117.00 128566.67 188833.00 120669.80 177781.00 84037.00 250407.00 252992.00 183780.36 224052.50 195523.00 144279.50 114968.57 149553.70 142674.00 200567.67 111782.22 133514.17 96507.55 109441.37 156018.35 154737.92 123722.69 125662.14 199435.65 126955.56
SUCROSE (M+Cl)-
11399.86 11947.36 8839.44 3930.83 6228.22 6663.17 12143.25 4445.33 - 5268.00 6824.73 16638.00 7421.18 5685.25 8972.83 9235.00 - - - - 3912.00 3591.75 3566.00 - - 3567.00 6630.50 - 4750.60 5510.00 5425.00 1542.00 - 13658.00 - 5598.00 1709.00 12858.71 7227.64 6025.90 11239.40 2203.62 3167.00 6251.80 5259.29 8017.11 5328.00 7568.50 4894.00 4857.38 3863.00
TEREPHTHALIC ACID (M-H)-
1573662.27 1496608.33 936638.56 1174700.36 1072796.12 630789.77 662542.60 1425358.26 720726.00 920536.47 868903.69 1326468.00 2050567.96 2898581.40 3087603.86 2697076.50 1298434.00 5680380.00 3769511.00 2573630.00 952475.00 2021515.75 418746.00 372403.00 1906210.00 2255900.00 1640019.83 2401492.00 3823001.60 5109839.00 634771.00 2144361.00 3638381.00 1518962.00 2116423.50 1336675.00 1342310.00 1417327.29 1602112.96 1336282.71 1160986.67 1787934.44 1579443.50 1143792.91 958014.72 1033573.53 861333.92 1682298.56 2129478.71 2077497.05 1332628.89
THEOPHYLLINE (M-H)-
71419.27 64616.29 59889.40 26914.20 21369.50 14111.00 - 3737.50 - 158898.00 125576.38 3382.00 54632.30 19989.33 159946.71 77217.25 12439.00 25106.00 16717.00 114109.00 104175.00 132353.50 115346.00 84530.00 55675.00 239883.00 174904.80 3418.00 119081.25 18101.00 67456.00 - 141047.00 100158.50 33523.40 42541.00 77369.00 7177.67 47044.00 86076.60 127727.89 121545.86 64538.00 28021.67 26864.12 18518.22 146164.00 64858.31 78349.17 89883.95 65659.62
THYROXINE (M-H)-
10812.09 9060.65 8637.56 7411.91 13159.06 9389.62 9166.60 10195.94 7469.00 9302.53 9438.62 6197.00 8596.08 10330.60 10004.00 7372.25 7337.00 6962.00 5930.00 14410.00 7103.00 8882.00 11976.00 6395.00 6926.00 14086.00 12013.33 5743.00 16215.20 16104.00 10607.00 20536.00 9391.00 8688.91 5569.00 8074.00 5783.50 12023.14 8318.17 9240.38 7855.22 11603.33 8049.83 9692.00 7768.05 11057.31 10108.62 9133.19 9732.79 9565.35 10074.11
TRANS-ACONITIC ACID (M-H)-
611805.20 690583.59 737973.33 853760.18 646136.53 497786.69 581365.11 437501.00 497904.00 528147.06 513664.31 317826.00 611731.88 684334.40 705563.14 634842.00 437958.00 1595395.00 882501.00 535146.00 487308.00 405276.00 295857.00 412380.00 515265.00 1175224.00 468794.50 320975.00 871443.60 44746.00 532688.00 550967.00 1091755.00 555117.73 889444.00 243160.00 393024.00 692703.17 861542.22 579520.55 698257.44 417542.50 449772.67 717997.55 561888.17 642823.88 674631.69 440639.50 455701.00 579314.20 525613.56
TRANS-VACCENIC ACID (M-H)-
20952575.27 33183721.50 43172387.78 23483880.91 95465524.82 13688921.92 17041283.20 53332597.68 29125740.00 40535215.65 41500336.92 5212350.00 53997731.67 88881394.40 42677675.00 39036391.50 41349428.00 30620636.00 131478856.00 6592149.00 1108025.00 9511557.75 28344188.00 2355476.00 7049376.00 36363948.00 99280822.00 17468596.00 65394167.80 278291840.00 20042120.00 160823680.00 2328512.00 47122644.45 37605091.17 24954408.00 11896787.50 10806288.86 15818161.30 64019132.52 36113059.00 102654086.83 87818997.33 63433425.18 55262268.16 74383256.41 65188220.08 33028993.88 37220002.00 39811339.60 25728747.11
TRYPTOPHAN (M-H)-
1047100.73 1022727.94 640583.06 1017311.27 792940.41 796233.92 558733.20 926157.26 308957.00 842265.29 1002908.54 870603.00 925273.62 1169727.00 897059.57 1027910.50 257427.00 1216861.00 738585.00 609187.00 1285349.00 994948.75 769201.00 190037.00 378529.00 1196768.00 779582.33 461245.00 1047139.20 878191.00 975664.00 907289.00 1220701.00 849164.64 762560.83 777839.00 680532.00 1096549.57 1022845.87 701083.14 841512.11 979010.61 861138.33 727647.64 718303.95 823812.24 863290.31 859899.31 1024330.43 852910.40 931876.00
TYROSINE (M-H)-
143529.36 167925.78 122263.00 192306.55 170257.59 163603.54 125206.56 166485.11 44562.00 185767.35 208089.38 168823.00 164733.17 162876.80 137738.71 139137.75 43382.00 136906.00 104704.00 80960.00 206156.00 191309.75 186576.00 46723.00 28610.00 161825.00 117926.33 46166.00 142720.60 134618.00 126003.00 120851.00 236609.00 163709.45 160045.00 259493.00 170473.00 261919.43 265992.74 108562.29 161062.78 155647.00 140849.67 116149.09 143647.63 144765.24 186562.00 149482.56 179032.86 144558.85 147666.33
URIC ACID (M-H)-
2161646.00 3592097.80 1790030.28 3375526.91 376393.50 336125.00 1433612.30 2105365.44 344547.00 2779192.12 2656914.31 - - - - - - - - - - - - - - - - - - - - - - - - - - 3535449.50 2957246.67 - - 1709240.72 2847316.75 314946.00 3609107.67 - - - 1278525.75 - -
URIDINE (M+Cl)-
2318783.40 1738732.20 1365876.11 800974.00 22265.00 - 1451838.00 793962.29 4244706.00 1219303.88 1450113.77 - - - - - - - - - - - - - - - - - - - - - - - - - - 2856663.50 1034131.00 - - 1558315.39 1521722.17 382014.00 1766699.00 - - - 1874679.75 - -
XANTHINE (M-H)-
62222.20 77012.60 35449.33 26987.44 27777.00 - 30255.00 30299.92 38643.00 48659.62 38542.64 - - - - - - - - - - - - - - - - - - - - - - - - - - 72301.50 21002.00 - - 51494.47 53258.64 - 100918.00 - - - 53697.33 - -
ZEATIN [ISTD] (M+Cl)-
453744.80 456243.60 488970.89 552459.36 8595.50 - 294475.50 523750.88 466037.00 528952.53 483579.15 - - - - - - - - - - - - - - - - - - - - - - - - - - 480245.00 604453.67 - - 557201.67 575609.08 626992.00 420700.67 - - - 539312.25 - -
ZEATIN [ISTD] (M-H)-
203540.60 222392.20 223111.89 258788.64 59235.50 31310.00 139986.50 269757.18 121705.00 248951.00 230745.62 - - - - - - - - - - - - - - - - - - - - - - - - - - 249200.00 263635.67 - - 314707.39 302122.33 303487.00 290927.00 - - - 214683.25 - -

Factors:

F1Categorization:Amhara | Country:Ethiopia | Ethnicity:Amhara | Occupation:Agriculturalist | Sex:F
F2Categorization:Amhara | Country:Ethiopia | Ethnicity:Amhara | Occupation:Agriculturalist | Sex:M
F3Categorization:Dizi | Country:Ethiopia | Ethnicity:Dizi | Occupation:Agropastoralist | Sex:F
F4Categorization:Dizi | Country:Ethiopia | Ethnicity:Dizi | Occupation:Agropastoralist | Sex:M
F5Categorization:Hadza_settled | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:F
F6Categorization:Hadza_settled | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:M
F7Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:F
F8Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:M
F9Categorization:Hadza_traditional | Country:Tanzania | Ethnicity:Hadza | Occupation:Hunter-Gatherer | Sex:nan
F10Categorization:Hamer | Country:Ethiopia | Ethnicity:Hamer | Occupation:Pastoralist | Sex:F
F11Categorization:Hamer | Country:Ethiopia | Ethnicity:Hamer | Occupation:Pastoralist | Sex:M
F12Categorization:Herero | Country:Botswana | Ethnicity:Herero/Na | Occupation:Pastoralist | Sex:F
F13Categorization:Herero | Country:Botswana | Ethnicity:Herero | Occupation:Pastoralist | Sex:F
F14Categorization:Herero | Country:Botswana | Ethnicity:Herero | Occupation:Pastoralist | Sex:M
F15Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan | Occupation:Hunter-Gatherer | Sex:F
F16Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan | Occupation:Hunter-Gatherer | Sex:M
F17Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan/!Xoo | Occupation:Hunter-Gatherer | Sex:F
F18Categorization:Ju | Country:Botswana | Ethnicity:Ju|Hoan/!Xoo | Occupation:Hunter-Gatherer | Sex:M
F19Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Ju|Hoan | Occupation:Hunter-Gatherer | Sex:M
F20Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Naro | Occupation:Hunter-Gatherer | Sex:M
F21Categorization:Ju | Country:Botswana | Ethnicity:Kaukau | Occupation:Hunter-Gatherer | Sex:F
F22Categorization:Ju | Country:Botswana | Ethnicity:Kaukau | Occupation:Hunter-Gatherer | Sex:M
F23Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tsoa/Naro/Na | Occupation:Hunter-Gatherer | Sex:M
F24Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tsoa | Occupation:Hunter-Gatherer | Sex:M
F25Categorization:Ju | Country:Botswana | Ethnicity:Kaukau/Tswana | Occupation:Hunter-Gatherer | Sex:F
F26Categorization:Ju | Country:Botswana | Ethnicity:Naro/Kaukau/Nama/Na | Occupation:Hunter-Gatherer | Sex:M
F27Categorization:Ju | Country:Botswana | Ethnicity:Naro/Kaukau | Occupation:Hunter-Gatherer | Sex:F
F28Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Kgalagadi/Tswana | Occupation:Agropastoralist | Sex:F
F29Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Mbukushu | Occupation:Agropastoralist | Sex:F
F30Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Mbukushu | Occupation:Agropastoralist | Sex:M
F31Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Herero | Occupation:Agropastoralist | Sex:F
F32Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Na | Occupation:Agropastoralist | Sex:F
F33Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana/Na | Occupation:Agropastoralist | Sex:M
F34Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana | Occupation:Agropastoralist | Sex:F
F35Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Tswana | Occupation:Agropastoralist | Sex:M
F36Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Yeyi | Occupation:Agropastoralist | Sex:F
F37Categorization:Mb_Ts_Ye | Country:Botswana | Ethnicity:Yeyi | Occupation:Agropastoralist | Sex:M
F38Categorization:Mursi | Country:Ethiopia | Ethnicity:Mursi | Occupation:Pastoralist | Sex:F
F39Categorization:Mursi | Country:Ethiopia | Ethnicity:Mursi | Occupation:Pastoralist | Sex:M
F40Categorization:Naro | Country:Botswana | Ethnicity:Naro | Occupation:Hunter-Gatherer | Sex:F
F41Categorization:Naro | Country:Botswana | Ethnicity:Naro | Occupation:Hunter-Gatherer | Sex:M
F42Categorization:Qimant | Country:Ethiopia | Ethnicity:Qimant | Occupation:Agropastoralist | Sex:F
F43Categorization:Qimant | Country:Ethiopia | Ethnicity:Qimant | Occupation:Agropastoralist | Sex:M
F44Categorization:Sabue | Country:Ethiopia | Ethnicity:Sabue | Occupation:Hunter-Gatherer | Sex:F
F45Categorization:Sabue | Country:Ethiopia | Ethnicity:Sabue | Occupation:Hunter-Gatherer | Sex:M
F46Categorization:Sandawe | Country:Tanzania | Ethnicity:Sandawe | Occupation:Hunter-Gatherer | Sex:F
F47Categorization:Sandawe | Country:Tanzania | Ethnicity:Sandawe | Occupation:Hunter-Gatherer | Sex:M
F48Categorization:Weyto | Country:Ethiopia | Ethnicity:Weyto | Occupation:Hunter-Gatherer | Sex:F
F49Categorization:Weyto | Country:Ethiopia | Ethnicity:Weyto | Occupation:Hunter-Gatherer | Sex:M
F50Categorization:!Xoo | Country:Botswana | Ethnicity:!Xoo | Occupation:Hunter-Gatherer | Sex:F
F51Categorization:!Xoo | Country:Botswana | Ethnicity:!Xoo | Occupation:Hunter-Gatherer | Sex:M
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