Data for ST001204   

(Analysis AN002004): Average values per metabolite and experimental factor (Units:Peak intensity)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine
67603.96 71390.48 73162.40 71395.28 71756.68 72813.76 75808.96 77518.23 70950.15 72148.22 76607.77 77855.84 76158.87 73054.50 62936.67 78403.99 73871.45 90240.69 107932.94 86329.04 81840.37 99543.15 103414.76 90501.83 88324.87 77688.15 60204.71 77451.62 69515.83 89123.34 80909.70 86347.53
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-g...
122985.45 154473.44 138517.16 147385.08 111538.24 159985.03 205243.85 352319.05 138912.10 139828.30 177014.74 165398.58 151371.27 132778.08 168599.34 164094.06 40582.60 37551.31 38765.64 51993.78 45255.30 40455.88 46085.27 44315.77 30915.61 45846.79 45854.91 45335.15 31949.10 37318.10 43463.04 46071.23
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one
15472.98 22049.32 33044.61 39647.26 11633.07 72301.10 131059.12 174875.66 15145.03 35210.92 38715.63 38878.61 15549.79 41901.43 53115.37 57318.28 - - - - - - - - - - - - - - - -
13-14-DihydroPGF-1a
1825003.24 4845583.42 655653.83 410054.62 8783739.17 7973801.73 2333103.88 2747252.93 759860.73 2418233.21 1017580.07 307304.88 3602819.67 2552886.42 910018.94 891507.14 3405697.05 1957584.02 5496931.00 2385253.84 3302761.29 3137491.00 3480082.04 1438058.81 5313956.82 10014877.38 2300163.96 4743889.46 1741474.31 2900450.79 1398051.38 2078014.12
1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2...
57559.65 57240.25 58094.24 58260.64 53490.02 53023.70 61830.34 63867.04 55035.53 56511.66 72868.63 59193.92 50314.40 57131.97 54341.94 61332.86 66889.75 82453.15 77082.00 91744.42 72944.13 84913.04 69845.89 104970.07 80578.71 73467.83 66714.76 90928.43 70834.86 71584.93 83351.59 85367.48
1-4-beta-D-Glucan
257862.36 131804.70 172560.98 309534.16 105149.83 105287.55 121459.61 197682.91 201635.12 141487.68 285684.94 461549.20 193033.69 215843.10 78198.50 99493.28 256808.09 262227.05 114779.01 98903.62 112093.86 187327.28 205049.51 244234.85 1483713.28 97684.45 101249.61 104278.00 157129.49 140602.68 217383.62 132823.71
1-(O-alpha-D-glucopyranosyl)-3-keto-(25R,27R)-octacosanediol
239277.29 222324.64 274386.80 213720.26 202727.88 204325.83 275459.48 253128.73 268470.60 218507.56 251751.70 259667.51 210626.54 272058.86 291313.88 245753.95 223351.84 239285.30 239008.54 256610.86 232375.89 241038.66 191792.85 244563.24 206427.18 223942.55 234835.59 252263.52 205874.87 274675.03 217021.59 307416.26
(1R,4S)-fenchan-2-one
112858.13 156787.55 118178.68 165505.41 116086.62 123429.10 123016.80 128057.43 182991.68 116993.43 91899.29 112045.46 138032.51 130206.22 145509.85 141853.91 103719.38 180137.11 125249.32 100060.95 173259.36 133686.40 189515.20 170097.52 206760.25 124052.98 129590.41 150469.91 94610.68 125524.20 149929.90 90512.62
2,3-Dimethylmaleate
81789.29 109869.99 107029.99 102651.79 150416.74 132602.91 86956.18 132648.07 81981.60 133274.79 100018.79 90560.06 70141.50 129672.76 107970.48 82244.46 367004.76 566700.61 781651.02 802915.77 399153.63 607166.40 748141.67 869580.94 469952.64 598012.19 673762.40 812350.06 467750.19 700406.73 822357.44 832779.79
2,4-diamino-6-methyl-5,3^-(2-trifluoromethylphenoxy)prop-1^-...
97173.65 104655.43 101918.18 94624.77 90711.46 91860.31 101518.87 105710.68 91338.23 96698.51 106075.58 98483.58 104041.12 95207.16 97975.07 98717.01 121631.97 135714.40 165898.09 126822.67 118647.93 147808.07 127904.34 149792.13 162643.22 134219.07 127013.17 133336.39 126795.00 139227.57 124245.54 133975.95
(24R,24^R)-Fucosterol epoxide
112431.78 102884.32 129764.60 90660.67 130808.10 119580.52 98076.02 107258.74 97867.99 105850.80 104262.80 97848.05 106402.86 122187.52 124100.66 115707.31 176011.68 221206.62 212901.77 136538.79 210407.06 218740.10 187762.05 179524.12 222434.57 199071.08 215601.84 164720.68 170006.44 209028.20 206527.58 191104.82
2-(acetylamino)-1-5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl...
83809.02 92503.25 103781.85 96492.86 85564.07 92456.87 90303.13 89828.75 87302.71 108136.37 99301.62 99305.34 92296.73 81401.63 86794.01 93213.42 120335.23 122512.59 130147.61 113994.65 123128.75 119583.66 121337.45 146746.37 133589.22 134550.42 150001.57 120592.39 116582.39 124938.00 138545.75 139788.18
2(alpha-D-Mannosyl)-D-glycerate
115134.29 136033.84 176779.08 147572.05 143398.32 147050.09 121165.67 163372.85 125202.82 121451.03 136006.59 145506.57 137872.65 142280.67 133949.57 132071.70 146583.40 172559.57 138644.11 148772.82 159388.67 155606.33 167979.72 164457.40 143420.38 131832.37 143792.36 154749.87 164342.42 164733.53 144898.77 142260.58
2-Amino-2-deoxy-D-gluconate
33764.49 31150.40 41421.96 44432.91 31291.38 31977.64 46863.58 29006.14 25885.26 44921.25 27547.16 38804.98 33979.73 40168.25 35572.96 37544.97 80452.60 86577.41 69939.21 74941.02 87340.04 75755.25 78241.58 63028.78 96326.70 74261.03 75790.33 56898.45 67018.73 71600.90 89628.37 77469.45
2-amino-2-deoxyglucitol-6-phosphate
89612.28 88845.05 133529.40 135422.91 89780.19 123112.87 141852.82 143599.65 118046.71 113986.99 111468.59 117988.48 97361.41 123599.39 105920.36 125040.80 235969.54 225517.16 208280.99 204600.45 284600.07 218845.39 227157.73 233587.33 357122.90 160808.47 196420.00 185421.71 256504.40 270014.65 180579.97 217098.20
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
46935.51 63704.89 51855.43 56286.28 47212.42 53651.44 46729.47 62580.92 57888.46 48327.75 50864.41 57128.68 47131.08 63394.57 56551.28 57179.32 56413.42 64413.39 77931.84 90954.23 59853.61 67107.24 69216.55 105498.57 63596.58 73722.97 72312.82 91355.53 59739.47 74509.72 86876.09 92573.04
2-Amino-9,10-epoxy-8-oxodecanoic acid
50772.46 52734.19 48757.04 56065.95 43321.98 57749.07 59475.29 61953.39 57949.51 53525.18 63542.06 54545.42 55768.63 69844.78 54050.29 58066.30 70634.76 72878.78 69809.39 57571.49 58993.08 67249.74 78833.41 78274.01 78796.32 63424.61 64762.86 65483.50 70283.56 64673.22 72736.79 69545.32
2-Aminoacrylate
85825.57 99835.24 81954.40 80299.27 69716.49 64255.90 71657.35 76039.49 68469.41 70632.34 78863.02 69339.96 76553.71 94220.46 95454.29 77885.80 60473.00 78915.53 203302.36 87986.59 171174.00 63316.26 73158.32 82523.50 73763.26 192500.76 232846.11 87235.64 118380.00 90621.83 69657.08 77686.05
2-Aminophenol
141478.32 135386.44 166391.30 168944.16 186164.23 176160.78 158149.58 169412.34 164195.14 137802.32 192910.04 161081.43 188266.56 170820.08 161937.03 134993.63 156979.24 161997.34 163035.44 127845.38 164592.19 182728.48 153691.24 170293.15 124469.61 162956.13 153365.67 157712.88 164241.30 131663.53 166915.44 154736.43
2-chloro-3-methyl-maleylacetate
7681.18 8055.18 6456.52 3531.04 6017.60 7347.01 6166.04 4160.81 4366.34 7305.92 6223.61 5892.77 8184.12 7096.85 6811.61 10735.27 140288.10 194378.42 381175.02 262095.43 151264.24 271293.91 266112.98 382172.96 191728.69 198002.46 256500.52 259492.76 161767.61 225894.38 255738.65 300502.66
2-Ethylhexyl phthalate
1291513.46 1359022.58 1396879.88 1256805.44 1273763.50 1262292.10 1194008.79 1148585.85 1263347.71 1263481.52 1193725.19 1113877.75 1210400.58 1409445.79 1385271.58 1289447.73 1200254.96 1377851.21 1323792.38 1283711.71 1349153.42 1332514.33 1361280.58 1310722.04 1175548.67 1081045.98 1176610.29 1197070.58 1165073.56 1434356.58 1599713.62 1319942.50
2-Methylbutyroylcarnitine
93525.41 97849.55 104422.70 97268.57 98585.24 94624.33 92468.90 96565.99 95556.58 93415.49 91752.34 97080.25 89343.68 102458.65 95175.08 90330.13 189870.44 176588.68 176625.77 158670.21 173469.78 169270.69 174045.41 165196.78 212104.67 171602.20 169903.22 166843.17 191619.28 191770.40 169426.13 168827.10
2-S-Glutathionyl acetate
27093.69 39941.64 32688.62 26653.86 26657.61 31868.07 35249.07 34279.98 28982.63 33689.81 37674.36 37947.18 30572.03 36949.61 40308.24 37720.11 58994.87 73923.33 91700.75 79154.16 60413.73 72176.93 87029.41 90694.58 66008.45 63981.53 76559.03 80752.16 63330.09 75536.62 87161.82 92805.27
2-trans,4-cis-Decadienoylcarnitine
86356.79 99984.53 90927.91 97879.27 94206.57 76521.08 80924.65 89462.33 69386.94 83722.88 91153.40 87120.79 86356.27 87658.51 93650.52 92211.24 96552.91 98465.42 86423.39 85934.66 90590.61 93367.23 91048.67 85246.78 91067.41 87485.12 75565.88 78783.14 87177.86 90728.92 88838.63 91663.28
3,3^,4^,5,7-Pentahydroxy-8-methoxyflavone
271706.11 193155.31 202490.98 204850.58 211677.81 320587.35 335571.41 270319.55 206851.08 225429.13 252829.32 213276.32 217605.04 243385.82 194739.49 256658.78 232093.18 257852.77 346645.81 379351.26 193940.08 268038.99 319906.82 308167.84 228778.11 274797.66 329470.55 382025.54 249099.39 229499.93 310535.40 395703.28
3,4-Dihydroxy-L-phenylalanine
99551.71 249395.13 269273.92 213431.05 170394.31 194884.17 32371.59 178693.72 155361.12 223640.94 216475.98 106407.43 289022.56 136491.27 186027.96 236543.98 283607.21 194016.48 88398.16 104723.03 185116.97 194345.53 255493.69 151245.61 84957.19 179230.53 39462.00 163990.46 253170.60 286416.80 277798.94 118679.65
3-(4-Hydroxyphenyl)lactate
100889.62 111193.53 109599.14 119342.32 120105.77 105629.61 99066.21 111277.68 91716.04 103151.96 113841.81 96852.42 107504.51 105707.53 108826.36 113940.54 108727.78 114161.42 104424.86 119362.23 115215.28 101344.05 97937.63 104387.65 111904.10 105848.97 100150.69 110424.50 96094.99 116492.30 105023.32 118289.70
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
1400581.02 2362848.27 1238034.25 1480835.27 2154813.33 1930458.44 2183028.71 1936002.85 1515362.50 1359949.88 726572.65 1049779.79 1948577.81 1779412.17 1297675.58 1783843.29 1477804.06 2612213.42 2405447.19 1795376.71 2136710.92 2269568.33 2414535.29 2238920.96 2937330.38 2465842.62 2172970.44 2383484.75 251239.17 2359315.92 1787867.81 1560735.23
3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol
58423.81 78780.20 66851.35 58723.90 88138.05 68853.38 75932.33 59760.82 68097.16 66519.65 66662.23 63339.39 58637.51 116446.29 55461.15 71713.95 43649.84 71791.22 40810.11 53633.60 100111.49 149265.62 106384.09 32206.59 34222.31 74267.36 76733.57 32061.29 61509.92 67985.28 81061.57 74954.43
3-beta-D-Galactosyl-sn-glycerol
164592.60 211872.42 217581.71 186516.49 176450.11 163464.42 193192.17 187305.32 181498.93 170648.22 184670.62 179465.80 150467.88 178430.64 180294.94 233998.64 218581.42 214753.64 225233.01 231063.70 190800.25 252735.65 222382.05 207144.04 257983.54 51423.54 235439.67 203495.58 213919.24 245869.91 288494.92 199512.57
3-Butylidene-7-hydroxyphthalide
81687.36 106799.01 110408.28 99844.98 118122.71 105742.29 77781.21 91181.16 114853.45 100063.31 103969.38 110061.12 86133.50 102205.37 118551.57 128841.35 96059.41 117850.67 97730.34 103199.15 130492.87 106004.58 112085.70 117403.90 85393.37 87672.02 93606.22 125529.14 111860.80 106346.92 111139.05 109262.89
3-Deoxy-D-manno-octulosonate 8-phosphate
110971.95 110140.73 103538.58 115558.88 113416.05 106912.23 101195.44 107074.80 102137.43 82535.12 105628.05 85109.52 102591.74 118638.65 106521.35 113151.81 311927.11 407728.92 380462.41 502180.76 368125.23 339418.43 425881.77 454152.96 383930.01 392833.06 443864.83 475320.74 362734.21 492897.14 453210.18 546057.72
3-Methyl-2-oxobutanoic acid
81538.21 99772.63 108429.92 91953.52 88396.58 81087.58 90923.64 91146.80 83399.95 86148.29 94306.98 85193.99 91748.26 108288.36 92030.67 110781.25 164624.40 170748.14 228234.94 164059.98 198047.38 164342.64 192750.20 151609.64 206540.31 147500.76 193458.16 143762.72 141112.59 165680.52 187016.93 188582.25
3-Methyleneoxindole
45826.51 45902.18 52847.36 54199.55 47045.13 49360.74 57463.33 62916.06 45933.88 41959.86 45135.26 45838.80 48630.53 47466.20 43674.83 46997.23 56489.37 59769.64 55936.09 61058.31 65100.74 63864.67 58056.44 54937.83 73422.18 53267.07 51403.13 53356.18 46914.59 50675.73 57610.18 57333.11
4-Amino-5-hydroxymethyl-2-methylpyrimidine
96164.41 104262.04 105076.15 138696.42 67037.25 100365.39 85128.53 103970.55 89471.49 90432.16 98735.52 91756.88 105393.71 34087.03 106586.59 110126.37 109991.38 99962.75 73865.22 92054.57 110600.92 103291.62 119762.87 101321.34 72706.50 88469.41 88436.37 104908.25 88633.18 103463.09 77999.31 124324.15
4-Aminobutanal
99785.28 121051.93 148598.41 115251.36 111783.49 113776.16 115639.21 131243.49 105392.51 121060.11 94130.77 117384.67 159378.13 123287.79 123148.05 135376.27 83017.09 70586.47 72576.08 69929.01 63660.07 64823.05 62988.30 68442.79 88737.70 74489.29 66196.65 55906.13 72900.61 65171.98 72533.72 69120.07
4-Aminobutanoate
145276.22 194473.97 155132.27 154901.78 144686.83 144386.06 147136.39 143121.39 154942.40 197681.63 136023.37 154978.95 151584.02 168680.32 180877.06 184864.43 191888.80 163072.42 214245.56 147047.15 174524.39 159056.58 175643.67 136144.58 140699.93 133026.57 142068.32 153717.49 141700.62 216086.17 158815.49 151889.08
4-Heptyloxyphenol
75150.30 37251.53 93398.46 114788.44 75221.53 115631.71 62577.71 73833.83 68859.34 78523.23 106177.93 100671.53 66774.27 47981.61 58046.40 79541.16 110335.84 75977.97 112007.82 39749.37 93731.38 52459.04 99582.99 75054.16 57396.62 159785.57 84847.43 137685.47 74317.90 68814.81 87535.11 96969.47
4-Hydroxy-4-methylglutamate
64011.52 52612.24 48754.54 32865.35 45874.16 49432.25 60718.48 65424.09 48306.57 47647.37 45340.61 47258.01 55662.89 55893.78 48058.52 62665.61 68909.90 77521.54 105268.04 67333.83 69468.54 72816.86 67617.98 60070.26 121022.28 56665.79 57672.82 56780.91 68568.70 65171.70 88072.43 69925.15
4-Oxocyclohexanecarboxylate
78221.02 102128.33 86239.07 81559.95 79973.32 99989.82 95259.95 85874.70 88506.37 89750.39 81449.88 93122.99 85088.11 69308.80 89870.53 76301.99 86841.49 108254.96 94158.46 96077.20 84577.75 96592.22 85249.10 90918.03 79771.43 77577.01 74708.51 89967.76 85207.45 105880.55 86314.85 84661.77
5,3^,4^-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4^-gl...
150402.67 156989.97 150828.90 131238.99 142571.24 123006.14 193979.38 151464.76 141008.69 123882.40 115346.08 148432.39 146439.43 125499.20 147668.83 120837.51 130033.10 127391.99 111122.13 118734.12 105501.15 106967.24 134976.85 109333.43 139119.52 100893.84 92020.06 111166.27 117985.43 116140.36 125711.55 113564.89
5-Acetamidopentanoate
325056.77 139145.45 531609.32 172648.77 150911.53 135014.83 369065.53 341833.13 388593.90 344450.89 186180.81 358215.10 265813.04 165133.77 158329.77 167622.93 549666.17 442005.08 491899.16 509494.25 181743.95 200458.43 221493.53 519738.06 195473.13 175226.67 185616.80 390894.23 406619.30 452021.72 203917.19 499020.70
5-Guanidino-2-oxopentanoate
59806.40 47906.79 53905.09 54756.31 43315.45 43408.54 63661.49 60691.21 52328.15 48543.71 56556.50 57386.96 74791.11 71746.61 46416.85 61521.67 60286.18 56796.69 71294.29 53757.88 47796.11 83667.65 61357.06 71039.18 67262.63 83072.09 59275.52 52176.80 60720.41 95850.12 68507.60 83112.49
5-Hydroxy-L-tryptophan
192089.18 205531.96 210576.47 217849.34 184203.51 226646.03 229757.67 269731.65 202520.33 203123.20 228523.51 229300.58 201022.44 236463.57 265961.60 253800.53 203691.58 245311.01 281281.95 235392.55 222399.64 227979.43 259710.69 260975.54 215250.36 246043.91 235150.16 246142.46 175703.07 250734.71 264464.97 244799.12
5-Nitro-2-(3-phenylpropylamino)benzoic acid
266035.20 269094.31 274254.93 227583.12 262384.43 207562.33 194267.24 196738.26 252366.98 199041.39 252326.20 237462.94 229011.24 214667.93 272466.06 247487.71 283573.91 273461.84 301429.76 240500.89 285066.85 264516.67 284454.23 269192.24 325943.26 280190.76 236297.60 248514.69 240852.19 291575.94 288746.60 240342.46
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah...
84747.83 89402.01 95632.28 96509.22 92106.89 104032.57 86772.05 83899.97 113382.40 79902.52 72464.16 74988.59 99501.36 95338.98 105675.92 87333.15 84068.32 96367.47 91254.05 88017.15 96426.47 99348.90 83683.12 107584.31 89017.09 80786.62 76089.11 77002.40 104348.25 86662.28 107923.59 99257.53
6,7-Dimethyl-8-(1-D-ribityl)lumazine
43345.72 64378.91 61335.61 51999.19 48992.58 63261.41 100628.39 136550.86 41881.17 57848.98 70122.72 75287.83 57036.41 68702.16 81331.90 91187.28 - - - - - - - - - - - - - - - -
6-Acetyl-D-glucose
159476.82 146625.93 131138.66 136561.69 156752.48 137776.20 138848.24 158862.76 151331.45 123129.73 141359.96 130104.38 153824.05 138741.98 113960.80 136067.38 174022.81 146111.57 145571.61 152735.05 210027.29 191571.01 141832.58 175026.29 180048.64 192377.76 151889.37 135550.40 182883.38 152644.70 141314.73 169310.37
6-Hydroxyl-1,6-dihydropurine ribonucleoside
66191.93 59189.14 69312.44 62369.73 62693.14 62068.54 63918.28 70226.39 59485.33 55127.45 59646.07 64297.78 54097.96 62436.30 52848.41 60214.22 77274.09 82879.67 95888.33 74269.42 71919.89 95815.78 87807.89 112979.23 95239.84 91575.50 81856.66 89873.31 92257.84 93150.19 101734.28 66956.30
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate
146412.99 165956.16 150224.52 178450.13 164610.35 115644.92 137068.08 147004.27 145458.64 142099.60 118100.78 97550.89 198717.92 176754.99 147155.62 160373.40 156064.43 247440.38 233055.41 220007.33 203941.74 138213.02 174530.49 178426.66 252938.28 237406.52 223236.21 173538.68 237009.18 219075.01 162978.10 160370.69
6-methyltetrahydropterin
82196.12 82680.71 66793.85 86999.35 117412.35 66981.51 90474.51 78309.15 75222.96 78479.74 86165.09 122211.65 99026.92 87673.00 75226.71 110729.67 138008.27 117174.38 112515.11 154796.86 106158.88 126919.49 139542.24 165091.12 133625.90 129149.14 106708.62 110622.84 175156.20 143171.87 119713.50 102767.16
6Z,9Z-Eicosadien-11-ol
63996.77 92175.71 69451.30 71769.61 55075.13 60340.34 58270.37 79763.77 92112.76 55106.06 63718.98 62824.61 52585.72 76724.26 54225.94 68859.68 60677.76 56269.70 55173.36 64568.18 60256.70 62755.94 74523.88 56844.41 65527.97 52510.30 68143.17 44506.15 70064.67 65544.96 73502.05 57165.99
6Z-Tetradecene
80082.34 127902.58 90647.72 114231.53 121385.02 122375.41 156972.21 144940.03 160093.96 138246.02 150877.92 93195.91 105807.81 129251.34 128268.78 132518.16 83578.24 99812.25 56177.79 46921.13 64251.75 72401.52 128382.11 125936.61 105731.44 60194.59 43088.39 74043.81 124473.48 70928.84 107602.83 96936.82
9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid
207127.04 152969.14 298673.75 327146.69 209449.31 143196.63 253661.89 220664.50 247525.20 122250.01 164430.61 327836.95 194167.54 190266.34 286416.95 181785.78 127634.90 131529.09 138728.49 330188.73 211401.80 144413.25 179944.39 184544.17 130683.74 126671.61 225334.47 214771.95 206139.61 146338.85 158961.76 211465.21
Adenine
100975.41 82527.89 111851.42 90225.29 76601.09 68736.08 95272.82 65186.35 96127.24 74475.39 83898.71 75210.33 101565.87 78622.92 94873.74 77271.64 101144.03 93647.28 82414.80 76624.99 75969.97 88884.92 75700.07 91396.51 139230.62 80537.74 80470.17 74494.83 93773.11 91755.99 73504.58 107375.60
Adenosine
27517.59 27747.40 32328.02 38573.78 30597.02 26591.62 33401.13 40264.01 33021.85 22617.04 32170.73 34383.70 34050.49 26721.25 49946.09 34630.64 64656.99 54064.45 71810.58 73573.05 65316.03 64712.55 64409.66 68838.81 79857.73 51376.05 64583.92 57569.86 58974.22 73437.57 69715.41 63945.75
Ala-Ala-Ala-Ser
234625.34 265980.32 245415.10 234122.10 211098.76 249631.75 224016.96 243651.39 224331.59 201583.02 230235.60 245255.09 238391.38 252031.28 223251.50 227589.72 282657.73 306663.68 325016.40 325788.97 273217.05 327870.98 339413.96 305590.59 360534.52 294286.98 311212.93 295763.97 275478.88 284454.94 330504.51 320199.12
Ala-Ala-Gln-Ser
241758.76 238976.27 259342.97 234345.52 210642.48 222599.65 246688.12 377794.67 221243.35 167819.94 223555.63 279400.33 211306.60 148151.74 355483.72 249515.50 254501.14 270979.96 251229.43 170705.24 280929.55 186551.39 198876.96 259321.66 175132.61 357630.21 331448.22 237804.62 213327.42 217029.29 265291.31 210103.26
Ala-Asp
48473.88 46329.06 38231.59 42377.42 47361.43 62427.76 60875.41 75077.69 53148.86 46757.87 40010.90 38101.02 50222.66 47742.19 47334.90 46779.39 113747.36 83868.01 56693.04 75832.25 92170.84 92892.89 74245.51 93271.08 121787.81 72802.13 82605.07 80685.43 81866.91 58623.03 84269.42 53685.63
Ala-Asp-Cys-Ser
60059.47 76215.78 83374.45 75029.45 65471.71 58973.94 63568.71 73016.48 56347.39 66578.89 73628.63 82264.23 59638.24 71773.17 67534.83 76132.08 21355.76 26302.79 31811.37 41906.34 21801.03 28698.95 31583.70 44746.65 30598.66 30111.89 41549.07 52215.68 19900.54 23994.80 32080.80 42758.50
Ala-Asp-Ser
146622.99 127751.32 123920.13 130001.02 112520.52 125339.72 139348.85 132364.63 142986.73 131905.46 137249.41 138533.23 120180.16 154137.19 138133.82 130095.95 70111.74 96606.70 107221.81 106674.85 79367.84 84363.07 98322.05 119388.95 90542.03 106155.94 108482.87 112791.72 80864.81 96026.78 97730.22 129543.38
Ala-Glu-Glu-His
231416.09 - - - 205696.44 251216.08 298406.23 274357.72 218564.89 44232.87 29006.36 33024.44 298375.86 118414.58 48671.40 50817.72 - - - - - - - - - - - - - - - -
Ala-His
102066.06 120446.39 111753.47 113013.96 107098.76 107554.22 127421.30 116721.61 121504.59 108901.85 113832.61 106934.80 114900.27 110927.01 86520.16 114833.80 132330.01 106519.85 113605.84 142285.16 125958.12 120084.23 121924.48 126799.03 115663.82 120971.18 99322.67 121843.20 137990.72 125196.64 158573.83 107385.39
Ala-Leu-Asn-Ser
320232.52 334016.46 326439.81 311989.04 326345.07 313320.63 303856.30 344826.30 299179.94 330485.59 331179.64 330188.27 320197.21 336085.81 345463.32 328869.68 310351.09 317967.51 329861.25 299325.10 324439.21 311307.85 335453.67 316000.67 331322.32 301379.35 296465.53 312370.78 309971.57 338830.70 343158.28 332671.29
Ala-Leu-Gln-Ser
240950.19 255491.59 232649.53 236334.66 236570.65 224143.90 241970.13 255980.11 234971.93 242702.18 243824.96 232521.12 240347.31 237169.73 239173.78 239166.40 224850.66 243751.60 233710.15 228560.19 245343.46 226175.28 237700.81 218775.10 241305.74 228618.33 225665.93 224364.20 225159.49 245095.80 243905.01 241175.93
Ala-Leu-Trp-Ser
147630.89 - - - 137400.17 149037.63 144011.45 224199.67 192882.27 - - - 172997.70 135952.66 47151.61 52559.12 - - - - - - - - - - - - - - - -
Ala-Lys-Ala-Arg
150758.33 190812.59 278487.46 159472.89 184086.70 93584.13 162461.99 169773.06 207775.95 163647.46 207363.99 207842.86 199010.97 198403.70 219085.23 184027.22 215569.03 211356.91 280048.24 161950.81 219434.88 176827.47 237964.16 224578.80 186555.32 271037.58 136028.30 222406.11 155609.37 203251.55 189431.83 265631.67
Ala-Lys-Asp-Gly
198157.64 208172.01 204047.53 202914.00 208329.81 188757.36 201282.84 220278.99 197802.42 199056.58 203029.30 207147.25 196352.20 212943.39 207275.16 204353.75 195696.22 211583.49 206159.19 208296.04 221193.22 196756.18 219539.81 193738.72 206019.15 197090.35 195810.49 189021.11 192243.39 206204.90 212379.32 200085.62
Ala-Lys-Asp-Pro
34809.96 - - - 34915.09 51578.55 55049.58 84464.68 36256.75 29606.84 27443.43 23329.90 40815.78 22468.29 32183.92 17354.32 - - - - - - - - - - - - - - - -
Ala-Lys-Lys-Asp
111002.06 - - - 118037.49 138297.26 247814.92 270094.65 137313.77 69099.10 58360.25 63510.41 138894.11 86473.13 68327.23 66554.24 - - - - - - - - - - - - - - - -
Ala-Phe-Arg-His
253935.54 281546.53 238314.61 246431.28 266687.83 331449.92 382407.64 696228.50 270892.89 279113.57 376616.18 263049.17 229401.68 342156.27 336744.31 336369.13 - - - - - - - - - - - - - - - -
Ala-Pro
202880.81 7862.14 6784.12 5023.19 172716.42 233629.68 286901.02 445776.78 220964.76 53055.41 57402.53 49716.52 168544.39 90057.85 75533.05 69267.40 5476.54 5583.42 6265.28 5677.67 5630.42 5783.70 5943.01 6956.25 5894.09 5499.23 6643.93 6250.35 7225.72 7073.38 5299.11 7037.87
Ammodendrine
96132.25 92079.40 98835.92 86134.57 96766.42 110303.90 87214.00 103519.28 101232.21 100466.72 99805.60 86783.30 93818.72 97944.06 90526.86 112862.93 87239.99 99315.83 89416.72 97783.50 109588.70 94045.45 101728.41 92108.62 70974.90 89675.91 87673.02 96210.11 79103.78 105393.39 103651.42 95476.73
Antheridiogen-An
54518.27 51245.61 75207.68 128541.13 129256.74 73223.38 66239.61 63713.84 68006.41 71633.41 73665.52 52766.12 75498.52 111824.25 63289.14 86895.45 199376.83 152016.19 171129.85 188541.25 116024.61 141275.22 109938.62 141794.02 373574.03 139013.03 233874.82 148159.33 137633.62 146936.20 135001.14 136803.10
Apigenin 7-(6^^-malonylglucoside)
19584.56 67985.10 142599.04 246447.89 14860.89 37757.40 36301.50 32657.34 18128.33 52912.00 107977.39 192396.94 16350.15 67556.89 93400.00 174866.52 - - - - - - - - - - - - - - - -
Arg-Asp-Asp-Gly
43712.93 47681.21 44702.93 39746.15 40526.42 38826.30 41605.10 43959.88 45454.31 40667.89 45257.05 45595.24 42075.14 47229.54 43713.08 44075.99 62282.39 63409.26 77822.19 72523.88 69102.04 79989.92 67214.07 78184.17 82266.75 74783.64 65332.06 70557.29 63950.68 70622.12 70434.33 64842.96
Arg-Glu-Ile-Val
128172.93 161635.71 160584.56 176081.67 123185.84 146049.69 112318.29 178521.88 184447.32 169998.57 129121.61 192098.11 133916.27 169281.38 195318.70 129299.53 164179.78 157826.79 213982.62 142685.99 144682.91 112923.54 178161.17 162235.01 149601.52 122985.29 119657.28 134992.82 111958.65 177576.80 172107.90 193223.30
Arg-Lys-Val-Ser
90579.85 87060.55 166456.83 98528.32 87092.56 120910.19 93580.95 91709.05 86818.46 62312.35 71867.51 122834.77 100055.89 93150.14 86548.51 86602.90 87631.47 70565.32 94750.29 99879.99 68092.53 69137.53 100592.01 89759.87 74873.13 138283.86 69894.94 84944.17 70922.59 115431.68 136416.40 73101.55
Asn-Asp
94156.46 63618.85 67895.79 62630.04 81188.30 105863.85 107478.48 110290.39 88805.78 65657.94 70970.30 66064.81 76082.18 79111.46 72841.24 69917.11 50539.24 62083.03 59113.75 57794.24 58401.46 58449.18 57008.12 63980.54 71295.10 58188.74 57664.89 60832.92 62890.20 63896.80 62044.92 68139.03
Asn-Glu-Glu-Ser
69410.70 26591.51 29513.37 45168.36 13195.83 23352.51 23153.63 26908.88 44252.18 24617.87 48246.97 53780.75 27229.93 34264.70 30439.54 23045.99 71363.84 21410.16 - 14501.63 29306.47 37763.79 16845.02 27000.06 84058.88 - - 40019.30 15939.20 13647.12 45285.06 27931.49
Asn-Gly-Tyr-Tyr
175589.82 171591.94 157125.58 145296.76 154869.21 179611.05 151600.43 133751.30 165575.19 213767.41 167271.95 146289.24 156961.95 170171.44 172815.52 174487.41 145617.04 176668.70 129458.02 147123.97 154609.26 160664.15 169276.69 170957.11 139303.27 151451.42 179628.58 128925.47 138668.25 198001.30 168735.37 143891.36
Asn-Leu-Gly-Ser
146755.86 105175.72 181737.90 116518.09 112137.75 72347.23 135412.28 89878.20 133404.28 128228.80 95680.86 155785.99 109086.96 127145.68 151738.73 94320.68 135951.91 196134.15 146772.24 114146.62 139791.38 100140.97 63141.26 183526.37 87798.77 180849.25 132569.38 137358.24 131888.83 143707.25 214046.05 124303.85
Asn-Leu-Pro-Pro
137338.40 - - - 122748.06 163675.43 210716.08 339597.72 141220.90 20549.68 39159.51 28867.34 120407.47 49169.77 44651.18 32533.93 - - - - - - - - - - - - - - - -
Asn-Lys-Gly-Pro
39364.83 9268.27 7381.08 6738.45 42315.43 47590.48 53090.63 72425.18 45375.50 27641.08 16217.07 10837.11 45015.61 39914.00 26040.33 15920.66 9463.56 6659.51 5698.14 8784.02 7839.17 9373.44 7483.65 7517.95 5534.85 10122.96 10032.57 8223.78 5559.93 7284.62 7055.14 11774.74
Asn-Pro
248229.26 306302.32 325191.27 270501.17 256978.86 235086.96 276191.65 290890.70 259337.34 237852.53 275067.77 262763.13 270233.28 229568.82 258958.18 286849.88 344395.10 349111.70 392459.26 337603.45 332390.89 333034.05 317481.68 313289.45 375178.31 325860.32 324251.52 337229.24 298511.74 330029.41 470635.48 321353.31
Asn-Thr-Asn-Asn
46969.74 51744.48 48289.98 47008.47 41915.23 47303.28 42866.38 44399.40 44154.04 47659.18 45373.79 47952.35 52353.14 50321.14 46507.01 48032.73 64734.11 74102.15 94843.02 83032.59 64138.91 80812.41 71437.21 89669.23 89117.15 65545.00 70536.42 71510.78 64389.49 64529.23 77855.60 82876.78
Asn-Val-Gly-Ser
102291.42 108476.86 113797.26 112407.46 116971.73 98417.15 105455.98 113061.55 95749.46 95797.41 105843.46 104795.31 102384.79 110837.36 107646.31 109619.80 101446.97 97469.84 100240.21 95865.98 108756.37 97946.33 109046.57 103410.49 101757.31 102890.44 97121.92 96369.22 92282.58 101413.16 106776.36 107971.79
Asp-Arg
61632.54 57208.83 61849.81 58174.74 58966.19 61291.55 49417.21 56859.40 63403.16 62331.40 59590.85 63284.14 62010.80 51508.18 57452.93 58495.95 69806.73 79016.40 70334.44 75861.70 74172.18 81957.32 76177.86 76722.57 87189.51 69097.44 66023.50 66502.71 76060.54 73972.08 78908.26 80748.08
Aspartyl-L-proline
1146955.96 35443.15 29038.88 26931.53 925824.25 1278968.79 1847541.62 2050231.62 1247032.02 212357.73 421254.88 384038.76 1274530.75 502382.92 405807.44 594693.79 551404.80 521184.28 27062.42 29956.69 753169.96 555634.32 245374.15 332512.23 28385.10 30413.50 382726.56 273037.43 23165.35 30859.26 510970.87 35034.60
Asp-Gly-Arg
59135.70 69878.46 65982.41 69103.30 58739.60 61018.01 76196.91 66692.81 56514.09 67991.78 68875.31 70528.18 68097.72 69730.81 62189.12 63938.95 85173.60 90001.83 90829.34 98985.38 90097.15 103549.88 95844.63 103179.72 97424.39 84079.55 91471.80 88689.32 91593.60 97977.81 101950.46 96676.99
Asp-Leu-Lys-Asp
44740.91 55898.19 44185.58 44539.83 56748.85 65065.28 109553.39 122830.77 57506.35 38739.96 65532.20 71922.08 62096.77 68745.98 80719.15 65316.55 62002.45 60814.29 48775.70 63655.80 53061.13 56723.51 55082.24 58897.33 58982.63 54691.23 49008.10 51221.70 61119.23 59646.14 62257.89 59518.31
Asp-Met-Gln-Gln
88049.29 78944.14 92851.84 82614.22 90647.06 92241.50 87546.11 112298.20 92845.73 75449.19 81243.17 96138.54 85360.87 90532.07 75940.59 100762.42 137542.28 136777.61 129759.22 137304.76 134364.09 152787.41 124656.54 175738.43 151125.10 125491.79 140331.58 133042.32 140882.93 121540.57 138086.43 134028.60
Asp-Val-Pro-Ser
277767.14 263383.20 164756.07 132354.08 233649.59 338885.26 600999.90 653719.59 254607.60 241226.38 280691.98 259412.83 271993.86 295172.85 335639.79 298975.40 - - - - - - - - - - - - - - - -
Benzene-1,2,4-triol
58548.28 53161.24 47535.05 44351.97 42453.43 47323.57 48370.32 66484.58 53977.20 48114.28 51836.36 43272.83 47850.28 51387.78 47200.99 53231.72 69087.29 83649.37 84936.07 67612.30 92581.80 107571.36 103148.82 100872.71 91630.56 86533.66 68857.22 72761.38 129633.05 84338.65 82185.98 80230.02
Betaine aldehyde
175769.27 171830.13 171870.92 171323.86 169493.17 160589.34 153852.69 169107.43 142797.62 176014.27 172672.84 172807.31 185697.47 172748.42 170200.79 170103.84 153895.60 171789.76 175233.28 167585.35 169465.31 168164.00 188683.46 161510.48 174623.94 172776.64 180931.08 155159.27 165218.69 170881.16 177999.45 162394.61
Biotin amide
152335.47 191597.50 184367.62 173371.06 128292.30 179971.53 156997.05 188351.06 167639.29 150872.83 138705.00 172238.76 146247.85 149268.97 177855.91 197067.09 188963.96 256408.47 175058.10 196633.75 207145.13 239416.85 206814.95 220953.04 227569.00 176081.16 170311.38 185469.98 190484.40 210406.36 200375.47 251579.05
CAPS
5419581.67 5692099.17 5424608.33 6896906.83 5271469.00 5372635.00 5226327.00 5968147.67 5318234.17 5339432.50 5999126.67 6082462.33 5574765.50 5515348.33 6953253.50 5670348.00 5886831.17 5921550.17 5742666.33 5917974.83 6852840.67 6276736.17 6091132.17 5879125.17 7069897.67 5321070.00 5819019.50 5181452.67 6170533.17 6853193.00 6073799.17 5936446.00
Cathasterone
335083.13 356431.54 333160.21 336152.67 330143.76 295158.10 339338.20 359870.67 355715.61 299438.00 315433.75 296702.88 313458.56 360630.69 307657.83 340881.30 339381.19 368259.99 370606.73 340878.94 316972.29 307410.15 375474.67 324180.74 321908.06 295303.53 278735.88 311599.56 312533.24 344166.34 368836.78 302106.47
Cer(d40:1)
71883.42 80223.79 59383.49 70127.67 69055.37 61114.93 47713.84 64242.57 83131.28 83848.63 63088.93 50075.63 58553.41 77398.69 58914.44 61335.85 38412.19 46275.44 26911.37 48247.06 78640.35 59818.05 57219.59 35596.01 14884.23 48772.25 29440.97 46048.50 118383.04 65655.33 45115.50 58343.19
Cerulenin
117632.89 110209.52 106919.61 111348.66 102088.53 93100.69 103778.07 110392.57 107142.13 104337.51 117610.45 99608.20 106256.01 96464.53 121119.34 110433.62 126285.21 115041.67 114546.55 128404.72 111421.02 112492.65 121108.72 119627.54 103098.17 112878.43 112816.94 105088.27 114330.37 119606.79 122636.91 118475.08
CHAPS
2634070.58 2832320.58 2429613.92 2780745.50 2438766.25 2350242.75 2439903.50 2610121.00 2412582.92 2259975.88 2726452.33 2820999.92 2634977.33 2523644.33 2901700.92 2572767.33 2508768.25 2623449.50 2445915.42 2453664.08 2790524.25 2639229.83 2628143.83 2469191.58 2969618.88 2288235.46 2400022.75 2261510.75 2525595.17 2817090.58 2598257.92 2447684.25
Cholesta-5,7-dien-3beta-ol
99714.99 121724.01 112747.62 84314.49 98229.53 103530.03 90221.91 113005.31 120898.70 91584.47 143092.18 106158.96 118378.64 114245.85 99521.21 130769.27 59339.97 80244.58 70059.51 64820.97 69841.82 83888.07 77764.36 70003.34 66566.51 67709.39 71569.20 73449.94 57496.06 61504.09 63620.12 60022.68
Chrysoidine free base
89202.51 95065.37 87260.73 84325.95 83369.34 76570.01 86389.09 78060.69 93517.52 81845.82 109325.93 118315.34 93251.20 89293.84 95017.99 111565.33 85966.91 87023.70 96756.82 67537.08 94581.08 102232.98 99558.17 95497.95 75420.07 85776.21 105852.86 75993.17 87233.17 93764.34 83559.01 86346.26
Cinchonain 1a
141134.18 140753.80 124056.73 136624.95 153040.68 155861.44 140359.09 179926.76 138996.10 126555.99 143842.74 173599.65 155606.65 140062.08 130892.38 171558.19 225949.02 310148.75 309825.93 343691.30 328158.16 289602.89 334035.00 387310.28 304016.73 277458.81 341088.33 309278.45 335441.44 307771.84 317008.09 336012.36
cis-1,2-Dihydronaphthalene-1,2-diol
186314.22 167767.16 144074.71 154969.79 151655.79 137522.05 136527.27 161501.48 159261.26 137660.94 139816.69 152857.57 155431.20 137071.11 147318.68 151443.95 142161.56 145029.12 150539.42 132876.09 209652.73 159621.68 169986.79 177349.59 169281.85 132514.85 146393.82 133202.41 152585.65 168091.11 183259.19 162038.36
Citrate
34830.00 27806.02 23819.21 20093.37 37402.03 29363.64 23873.29 23021.84 37739.22 25108.03 22265.04 21245.54 43635.63 26454.60 19607.16 18970.67 159353.40 153389.94 268431.24 161585.62 244226.33 286000.52 146291.99 178464.98 249013.80 177899.48 126905.05 130929.43 217314.39 153872.72 136572.88 131727.24
CMP
89393.59 220948.32 290744.34 283749.44 86491.02 125695.38 139798.58 157620.57 98990.71 151452.33 253231.18 281015.04 91325.31 154298.21 232525.51 259899.23 36518.71 32908.64 28054.58 44080.05 28120.06 28802.80 39355.36 30938.03 26704.66 25827.39 41170.94 44441.05 44268.63 46569.63 28441.12 28543.52
Convicine
76426.57 82642.46 93127.03 80830.65 76288.18 81218.08 98660.53 74510.53 78205.56 85862.02 96616.19 79210.67 96126.05 85374.93 94494.37 92337.61 130805.48 177062.12 203081.84 150408.64 138119.78 185228.77 150828.83 198141.89 172562.29 169931.72 161862.23 139252.97 128978.92 152330.14 167617.41 183007.79
Creatinine
86416.01 50395.90 53110.04 35601.23 80031.25 40990.57 36597.99 66747.33 138434.07 40247.19 40025.85 39057.31 103045.03 48570.49 36856.06 64672.19 109789.90 82806.46 66622.30 64349.76 129005.65 56251.72 78082.42 79118.61 178630.41 58190.79 75515.80 53001.38 111781.89 71229.00 66411.18 69969.76
Cumene
85962.35 103452.53 68240.90 65783.46 136686.13 90154.37 107019.61 68924.79 101151.44 59472.85 68038.58 56271.72 103759.71 94825.94 43581.24 65574.83 75122.45 110980.88 136989.23 135531.53 114100.01 131564.53 85134.34 97026.80 130905.25 171506.81 95277.48 125170.72 51197.66 90709.54 102335.91 86036.04
Cyclic ADP-ribose
267410.03 264303.67 271812.66 282488.73 240221.40 266155.71 294281.61 311796.77 265175.59 230778.85 234377.90 274174.42 202842.08 310438.26 246986.58 361333.96 124448.22 115281.59 103673.88 127717.21 124961.15 108401.81 121405.69 137488.58 130202.11 173170.71 95839.60 89510.92 124381.38 119922.46 114213.56 132125.09
Cys-Met-Cys-Tyr
555569.21 270974.69 370301.30 631828.06 256617.06 218777.46 253617.38 406802.86 440996.32 294543.76 571460.28 876854.08 381310.60 435165.53 172738.35 216766.03 578994.60 548782.07 252247.95 205819.09 237758.70 387082.39 438331.53 505989.34 3169241.47 194740.04 210411.93 231241.05 323389.82 303026.89 452153.35 307586.70
Cytidine
57934.07 70313.90 72834.72 60795.62 58063.79 62271.80 70244.29 71305.48 61760.48 58161.33 64463.20 61389.33 57338.23 61546.54 67615.86 69231.86 59023.75 80007.94 102747.27 105538.42 59415.63 84850.51 84734.16 102348.38 78331.20 72356.10 82831.87 108210.05 61698.34 77504.99 100155.17 95737.19
D-4^-Phosphopantothenate
16880.99 23162.83 - - 24591.38 37709.90 56019.83 72171.97 25335.41 16860.16 - - 17779.37 22955.63 24325.73 23500.41 - - - - - - - - - - - - - - - -
dCMP
89884.48 120243.26 84403.59 93925.57 81443.99 97886.28 102641.20 99445.79 101123.45 89282.96 87909.15 99428.89 90906.53 96135.13 92403.44 88921.25 109842.73 122575.49 123718.77 119200.39 115223.12 118965.46 132129.70 122560.32 128862.62 123097.77 116243.11 111448.78 126691.03 118356.30 115517.71 115192.62
decanamide
265152.63 266308.72 255259.40 288301.85 226508.53 209196.31 219702.03 330403.49 302629.69 245331.42 250939.99 229121.01 296574.57 253072.13 267887.30 292972.63 211577.71 222587.24 253799.89 215281.63 272536.82 256405.50 230129.39 222623.06 252453.26 215538.11 140064.00 252048.16 238418.99 309460.56 311386.66 273306.08
Decanoyl-CoA
142975.56 105570.55 122727.14 121516.58 176440.41 151760.47 157803.56 205015.48 143213.30 102496.81 115762.40 138026.77 160849.26 177840.74 129747.02 152852.14 331700.97 338069.50 426782.75 426123.75 465718.60 519165.78 385461.51 484240.42 411141.02 361856.23 449014.02 464470.33 413604.23 335677.18 412908.01 468952.84
Dehydrophytosphingosine
71894.74 65671.51 90425.23 69914.27 81831.64 66416.87 53507.29 81630.57 55512.84 77352.39 94363.26 74964.69 78195.76 50242.74 75205.08 72425.82 60556.69 86417.30 60000.68 73679.17 61955.13 66726.60 81931.95 81364.13 61728.08 67935.98 64928.00 55969.06 61657.70 58262.32 91438.84 81147.16
Deoxycytosine
562922.39 633637.25 610971.12 202994.58 592154.26 608751.58 734167.11 610653.82 482722.25 578813.83 668506.25 644923.31 672068.06 610744.70 699737.59 876798.16 726326.51 646818.82 390662.65 719794.24 684230.06 674816.90 878952.42 702627.79 517055.15 668236.58 507149.44 787743.90 517145.73 495400.51 504140.60 717357.73
D-Fructose 1,6-bisphosphate
28915.38 27437.17 25782.83 21979.11 21143.33 31103.12 28353.22 25441.05 23857.19 21459.94 25844.83 22458.62 31220.89 25789.82 30668.09 23245.81 146328.29 95996.54 185768.86 137402.08 128120.67 192375.60 100464.72 251415.55 151828.56 158158.31 176712.59 181810.99 98318.59 154764.14 188386.38 215586.86
DG(34:1)
96480.62 98226.96 84638.48 109510.70 133514.71 130016.55 248789.39 471540.91 106491.41 87328.19 139931.61 96578.88 124496.29 141149.18 128148.67 124109.35 - - - - - - - - - - - - - - - -
DG(36:1)
102042.97 101754.05 113776.08 101030.97 92052.73 130069.72 168499.01 222312.77 114963.73 87853.41 99688.49 70880.77 116063.36 97252.89 104023.30 123976.23 121071.45 110295.71 216927.07 104966.56 110514.16 124914.50 114582.22 123037.93 147220.40 60121.00 91502.06 142018.13 128320.09 63342.95 113542.20 114321.36
DG(36:2)
92325.25 108756.51 96970.71 79277.66 81858.82 131295.27 181377.79 341267.60 113372.60 96758.48 117979.65 124190.32 102391.86 114665.67 124304.14 154617.34 - - - - - - - - - - - - - - - -
D-Glucono-1,5-lactone
379219.03 312764.12 416545.86 272126.50 275409.47 269434.48 150914.93 343911.86 395103.20 289225.06 290594.40 375983.48 286132.53 288669.40 291637.90 347813.82 475291.10 451698.43 538616.75 446382.57 362163.24 584547.90 535957.38 456216.74 411535.90 546883.38 545954.68 606516.90 384198.66 513621.29 546345.85 504196.74
D-Glucosamine
137850.98 149398.79 150335.18 158076.05 123247.61 135306.37 162561.54 166685.38 143489.32 176337.84 165891.49 152789.79 142999.30 136224.77 147087.44 150756.02 182056.73 190983.53 215157.52 204890.39 194526.28 223640.60 217250.23 194692.40 285916.76 201055.21 187751.93 183793.10 179036.69 184849.04 204079.91 204689.50
D-Glucosamine 6-phosphate
84882.55 83744.55 88461.59 83381.07 87355.27 82701.51 86976.00 86483.29 79272.92 91076.24 84971.39 85736.32 83494.55 87601.53 89331.77 89341.93 193814.77 289106.84 375075.91 372661.24 210837.73 300100.51 351109.31 429234.33 221303.22 259170.80 337948.74 403118.17 190679.60 272600.95 338868.22 384662.71
D-Glucose 6-phosphate
469640.38 509610.41 591402.88 541985.49 536506.32 493349.01 466989.30 650619.05 580618.36 447226.29 579914.26 523209.73 488909.71 524939.26 542760.70 613440.68 205117.08 385645.22 846455.77 215471.79 637968.50 209548.67 1017244.92 1090407.60 514506.46 172720.71 179886.66 191888.54 641540.76 170067.64 227509.91 219680.14
Dibenzo[1,4]dioxin-2,3-dione
75817.14 66249.39 82160.72 65040.52 65585.66 74013.88 85164.75 122145.19 63909.24 54617.60 76961.20 73932.24 73167.93 58301.43 87229.48 103342.68 31268.62 12283.44 14729.85 14711.69 22469.83 10932.79 15150.99 14131.97 29652.35 12872.58 14068.26 14589.27 24997.63 11639.54 13793.35 14844.54
dibenzothiophene-5-oxide
68758.85 89588.29 49803.66 77120.76 85289.13 75350.83 78512.77 81666.93 79282.14 100760.06 85327.37 86397.35 73309.27 90870.84 78541.07 99031.09 105496.47 147563.49 133837.88 115551.14 119480.40 126247.97 147918.96 105857.59 143072.71 132210.86 106430.26 101182.32 126592.51 111586.11 111067.97 93518.91
Dihydrochelirubine
92070.99 88150.93 90717.51 89890.83 68423.56 85270.92 95031.35 98102.15 83328.73 78853.04 74709.98 92167.29 86853.24 90326.90 88194.91 96939.11 277114.97 406989.73 549455.45 595723.19 251819.23 409570.44 521308.10 649507.52 340778.26 385090.57 473005.53 655646.62 258494.76 383524.33 494500.64 653754.48
Docosa-4-7-10-13-16-pentaenoylcarnitine
68889.84 53455.48 67753.29 79621.89 29486.16 43996.03 41547.83 26780.75 28183.79 32845.44 42120.90 47857.43 54734.20 87988.80 55712.53 58327.04 93407.27 75989.84 75375.70 64360.70 101164.43 71863.90 93569.35 72306.09 101759.09 60491.23 80696.74 72092.89 98625.04 78796.84 85464.68 71174.79
Dodecanamide
279326.17 269070.22 281920.18 239254.71 308144.04 242794.57 333897.77 350380.16 339652.28 239309.26 349464.33 260238.40 284418.15 275926.51 337141.90 306243.49 338840.13 274686.33 247543.78 225136.44 304815.88 287400.39 254394.03 279463.57 246060.69 241430.16 308876.10 219763.20 317492.07 311115.57 374090.56 280337.48
D-Sedoheptulose 7-phosphate
76450.21 68400.48 71608.16 63955.51 67798.51 75136.35 76948.91 98323.20 73770.73 59912.33 73619.74 76901.28 74761.40 65178.37 75031.60 86795.92 130080.19 193496.27 295869.78 347695.26 123633.61 198219.32 242894.08 426060.76 169386.33 217949.78 287951.74 342835.74 114206.38 184527.26 296159.89 366304.89
Ectoine
48880.66 36553.89 38072.58 34248.21 29032.61 36456.86 40267.25 35758.22 38079.58 27015.64 29440.65 34074.72 37979.94 39775.96 34766.69 30270.71 47553.58 44236.98 46846.38 34645.98 38943.99 46859.27 65843.88 41400.79 71058.08 35434.82 41041.93 38308.89 41695.45 53394.77 52205.66 45976.20
Elaeokanine C
50626.79 116984.59 65306.70 106608.35 63124.10 93733.23 103670.30 100192.74 47801.71 96626.96 117147.32 121358.51 48508.36 122660.54 96656.51 100135.14 72366.36 72755.87 107004.97 150510.56 94979.20 70281.09 131173.09 149109.46 97750.38 79869.25 93667.65 134937.80 69881.31 75224.88 110094.49 89597.86
Epigallocatechin 3,5,-di-O-gallate
155546.11 313864.61 438852.40 351498.28 129243.79 164337.73 171179.39 134083.03 132760.85 253803.46 331583.65 385826.47 181342.88 224453.17 356425.46 360292.00 42958.75 61220.04 64746.62 70988.12 70268.28 70679.85 55891.60 74231.58 58119.09 50770.83 56093.86 65578.66 56110.44 80548.23 53393.18 66473.36
epsilon-Caprolactam
91540.82 79623.34 77027.76 73611.57 47206.77 71830.42 69261.09 93755.77 72704.97 88659.28 67369.38 66067.66 71856.90 75522.97 104493.06 81844.07 94665.74 75297.81 77993.03 93434.55 88815.33 93809.35 73780.92 86256.40 89034.66 55158.65 61587.21 58881.78 65740.40 86315.37 77325.84 84097.21
Epsilon-(gamma-Glutamyl)-lysine
29314.32 23037.75 15712.26 19319.00 20211.66 37782.64 55495.43 71183.62 27596.55 23943.69 23668.45 24405.28 26343.23 34861.68 30632.40 31007.00 - - - - - - - - - - - - - - - -
Ethanolamine phosphate
564622.86 714037.43 1056378.46 1111764.40 510424.44 531077.10 718650.08 1023375.98 474224.71 619814.93 1258271.67 1534753.21 515233.93 666299.09 1221901.48 1637629.54 40363.04 40104.13 36834.94 38406.59 47928.34 43347.20 33878.49 38765.71 52896.60 40142.00 33679.38 33480.36 42148.95 39353.55 37449.35 36886.58
Evoxanthidine
104081.51 105774.82 206170.92 115627.32 88861.68 136148.09 103869.33 147218.60 127457.91 138289.60 224862.34 128506.84 121090.66 101630.07 143433.09 141281.62 289084.90 193451.20 124391.43 151113.63 164855.15 235340.48 196018.62 206335.53 211866.24 214355.43 175295.20 146769.41 173005.80 173733.91 138266.46 206849.63
FA (12:1) dodecenoic acid
137945.59 119348.54 151973.46 116211.66 125009.84 122004.75 112505.45 106068.73 114855.20 124561.15 112863.55 109865.54 126486.84 105613.05 132293.53 132658.67 126644.78 128678.17 138973.55 147954.21 116693.03 136226.08 127514.55 127363.33 98238.18 109759.15 130794.57 123178.01 121427.57 140664.51 171546.69 134820.23
FA (12:2)
97656.97 88887.17 67684.16 77951.40 63186.00 64885.02 76584.50 86900.49 85154.58 72323.09 66235.38 98082.20 81935.70 70656.51 87303.39 72659.31 77158.36 74498.26 56385.90 78582.66 79556.43 88701.12 79589.89 111373.25 49361.43 77331.41 60313.67 63102.66 66884.05 74924.64 95975.93 64761.57
FA (13:2) tridecadienoic acid
202077.17 1251293.28 269892.14 493521.77 177185.29 348136.07 304285.66 303348.84 586763.99 393950.67 664818.99 368073.00 364913.76 1145906.55 821582.65 477875.41 797212.60 303396.72 730640.97 685078.86 140656.26 654517.42 1159317.83 341062.41 786779.43 610986.61 272302.54 1369464.38 664271.61 263237.22 499358.30 432690.91
FA (14:1)nonanoic acid
140581.74 135659.68 178591.59 141821.49 144189.41 135956.84 171148.16 151458.47 155770.57 157986.20 142153.23 160719.49 164437.70 155552.60 147797.33 153648.36 158955.10 150638.43 143203.29 145684.77 124634.61 159467.92 155898.29 155276.09 168515.18 144630.94 163876.03 143065.97 142507.10 163343.20 142076.77 156061.70
FA (14:2) tetradecadienal
153109.58 108122.26 121038.71 258560.67 242003.10 126029.05 103800.89 122559.29 163100.10 233130.69 187093.02 152712.04 273616.35 116999.52 79508.28 125800.71 223382.35 458771.25 245648.59 81511.73 250985.89 177222.74 128921.77 200806.33 332949.52 89384.34 166935.22 264951.80 137764.63 96863.38 209540.01 157121.94
FA (16:2)
328080.06 400475.86 228560.08 364792.80 403585.01 376722.12 356779.57 331234.80 380349.30 241443.16 165062.73 221914.06 348954.63 319856.94 249755.70 313362.54 232688.86 421063.67 341863.98 234420.46 393494.43 344374.62 394435.10 410390.13 428253.77 310756.07 366100.89 372841.62 208710.63 310461.36 263417.16 260340.90
[FA (5:2)] 2,4-pentadienoic acid
5829.56 5868.35 5072.44 7456.41 6483.77 6499.05 6157.10 7490.12 5706.48 6831.78 5616.89 7978.13 6386.32 8327.32 5598.20 5672.00 57921.32 92653.89 119428.62 111972.00 60931.51 89617.66 111534.42 137590.80 69071.80 89920.95 108638.48 127971.64 77338.73 109402.85 121734.76 124801.02
[FA hydroxy(18:0)] 9,10,12,13-tetrahydroxy-octadecanoic acid
66219.13 68610.98 92704.38 78069.43 65554.08 68063.16 68428.64 63218.84 75494.86 78890.50 63699.39 77922.38 86321.94 90188.60 79277.75 81722.89 73674.49 93118.48 79914.99 74197.56 72681.76 61098.50 79959.28 69786.38 55956.04 66679.33 73912.38 77636.54 72007.30 74692.75 96104.08 89905.73
FA hydroxy(18:1)]
6275364.25 12678473.67 6261027.33 7358323.46 11752620.33 8759793.75 12103797.33 10255202.58 6786648.33 6996430.00 3039201.21 4582833.83 11429117.25 10224758.92 5360659.58 9321677.17 7815689.67 13281784.67 14422705.92 10609289.77 11451121.17 13819456.50 11727273.33 13229315.67 15781674.83 15404102.79 12396947.17 13791546.83 845486.81 11866731.08 9884337.83 8306991.08
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2^Z-pentenyl)-cyclope...
111518.66 106044.34 133145.02 175657.34 107763.29 117084.68 110008.69 177038.75 121995.72 88234.91 151807.26 220597.38 143389.50 106213.38 199610.27 154545.36 95626.71 110827.71 93436.26 125464.37 126910.80 127122.28 172876.87 170638.66 73549.58 107503.86 157209.60 169198.55 103371.86 78301.40 141857.96 190304.75
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
182984.69 193289.88 187571.73 169212.72 156969.44 160627.73 186621.50 158119.29 150614.62 202020.79 171619.09 211817.26 160629.16 188236.68 144236.08 160019.25 542302.89 514567.23 379447.67 467052.07 521041.73 465942.85 460032.86 464829.83 427729.25 425020.65 448732.58 435734.53 417471.10 521914.87 488442.36 522844.82
Fenothiocarb
186057.50 218184.56 222971.94 213990.45 180168.81 175584.01 215619.90 216124.34 207903.96 165837.02 236287.08 224288.79 188972.25 195121.09 218834.61 196707.98 195333.82 231029.55 193467.27 241858.35 225859.12 240832.24 224899.72 225015.49 227458.79 209504.01 185465.16 174745.37 176404.83 225016.10 246001.71 247018.66
Fructoselysine 6-phosphate
111780.98 128618.55 135117.76 142046.87 100646.55 122151.63 173361.75 215729.99 107695.15 121339.04 147074.76 153307.67 112810.05 120160.71 137030.33 157408.32 38669.20 45180.41 38021.57 37433.43 36422.68 39684.25 41748.92 40640.83 49201.66 36466.12 36113.62 37308.73 36641.49 41361.35 41183.82 43261.94
[Fv hydroxy,methoxy,methyl,acetyl(5:0)] 3,4,2^,3^,4^-Pentahy...
126926.92 102939.27 93221.39 76114.07 108747.01 105951.71 95713.33 84569.55 163246.47 89832.79 90243.01 87442.12 123070.57 108293.83 93742.84 102712.63 143814.77 121452.22 120791.93 108470.86 129876.89 166028.71 119519.58 164070.16 127083.66 112120.90 106674.67 119253.18 164188.07 157640.57 158587.90 144509.86
gamma-Glutamyl-Se-methylselenocysteine
153259.11 162114.72 156748.88 155461.42 137278.59 174984.07 186587.71 239482.57 164721.57 133711.43 159236.50 174457.91 161812.74 139530.26 176800.39 184129.38 209800.88 337306.60 428702.96 558589.02 246511.43 335633.55 345362.88 645913.02 256973.23 367061.03 482249.57 542968.72 196381.49 325969.51 472708.53 599969.42
gamma-L-Glutamyl-L-cysteine
75137.69 99596.48 90709.45 96853.33 88955.65 80651.41 74366.22 98682.49 88568.09 87284.09 89958.86 95280.08 93797.56 83265.89 84720.78 88543.87 20270.87 24404.92 18674.43 21387.59 25134.62 18267.61 20624.24 21180.19 28582.30 21582.12 18758.22 24467.54 19918.97 19727.79 20966.35 25260.07
gamma-thiomethyl glutamate
85749.52 82764.51 77224.56 84129.80 92868.91 78977.67 87004.43 85023.44 81076.33 84595.21 90044.92 77580.38 84163.33 81417.85 77754.23 81436.58 30074.19 37771.37 49667.36 41540.54 42177.52 42322.41 43739.26 60800.03 57634.11 60786.86 56968.93 39079.91 40739.22 27250.37 51217.83 45871.10
Ganglioside GA1 (d18:1/24:1(15Z))
127985.96 73712.79 194965.33 288347.13 87444.57 134702.51 122453.26 106763.32 93112.26 141843.73 140613.51 136131.94 71042.10 111191.21 193256.91 102414.45 75867.09 122572.97 112877.55 174029.79 259536.29 176654.44 139689.22 127936.68 78159.50 114422.60 106420.43 113893.25 84646.40 95365.46 139730.50 158462.89
GDP
36424.40 41340.24 50450.51 44248.66 31282.92 33669.34 36839.44 45528.45 30239.28 32836.21 49014.05 44340.32 38062.54 40396.63 49410.04 48673.43 61305.20 71989.98 99638.70 78531.94 69446.93 74781.12 87284.96 87517.05 80295.71 84678.88 84820.46 72851.41 57704.49 75613.65 89379.04 74597.38
GDP-3,6-dideoxy-D-galactose
259980.68 123548.71 153641.92 147013.62 137954.68 109746.07 128024.39 231733.03 193463.42 94206.69 212346.26 159587.57 140216.22 201747.10 163715.53 187502.48 238392.41 195939.19 103120.79 119905.64 118848.30 116056.37 130919.47 154796.61 250990.20 83995.60 161011.08 99929.59 91273.16 187273.30 142269.24 112970.02
GDP-mannose
174321.14 162377.84 171486.66 149087.20 140874.53 151595.95 152905.88 152167.52 156149.29 148534.49 156429.51 153273.66 186019.08 183222.41 158723.03 181748.39 185479.15 197681.42 265163.61 203674.51 182962.35 240212.89 182524.07 257734.93 243510.16 181074.73 188503.77 174335.99 207757.83 193364.84 216145.65 209652.43
Glu-Ala-Ser
169938.54 199084.99 159594.81 164001.31 179161.65 207048.61 227760.48 288007.35 196383.50 204892.97 220398.79 183591.53 169418.58 239168.49 195916.77 207787.00 99704.36 153979.23 156012.19 206243.68 103488.33 166106.05 181625.23 204167.45 104342.54 124477.78 165018.77 205908.41 105217.83 171201.60 171832.85 213102.85
Glu-Cys-Thr
105198.53 97896.19 101744.53 91303.68 95096.94 84051.35 91268.42 99765.61 101222.53 91331.47 95472.60 103739.95 90025.47 93595.58 91775.45 92259.56 113452.05 119003.01 99094.88 98224.57 106395.97 104927.48 130187.71 103714.59 135053.15 104090.97 89568.03 87541.41 109857.66 103751.24 119938.44 105691.34
Glu-Glu
48954.88 32194.25 20578.61 25985.47 40793.52 76163.90 123877.31 116196.67 53234.14 41172.16 32507.18 30870.96 51232.21 57563.24 38131.95 35836.39 - - - - - - - - 9296.95 - - - 3658.53 - - -
Glu-Glu-Pro
35802.48 - - - 36285.85 71345.23 85220.59 135319.01 39864.17 12608.44 12041.79 21463.53 39728.00 23544.31 15275.48 22947.67 - - - - - - - - - - - - - - - -
Glu-Gly
37647.21 31847.47 39528.38 42377.42 34657.67 50300.52 50465.00 48934.91 37684.04 28022.44 26183.07 27205.48 41793.02 40707.33 48157.76 28500.55 113747.36 83868.01 75609.62 75832.25 92170.84 92892.89 74245.51 93271.08 121787.81 72802.13 82605.07 80685.43 81866.91 77463.22 84269.42 75460.09
Glu-His-Val
193608.91 - - - 189250.52 186697.35 196932.93 253954.28 207120.50 35059.62 25838.40 33771.08 196866.11 65725.68 51328.71 44533.70 - - - - - - - - - - - - - - - -
Glu-Met-Ser
126575.44 150800.06 141547.77 146683.26 126423.50 162258.44 149627.17 192747.40 138347.85 138058.31 150105.01 164395.02 137669.21 153779.84 126607.45 153417.04 192134.72 357156.28 533899.97 646919.57 254480.34 368503.66 507104.15 852676.01 272418.08 333621.56 456515.03 611424.22 237720.93 289287.55 451665.76 630946.62
Glu-Pro
185794.68 17482.83 16961.62 24687.16 181159.87 200203.71 246213.09 299901.96 188672.06 85977.44 73107.33 45591.10 168358.21 117819.74 99356.71 63582.75 16819.90 37549.64 20139.59 16656.15 - 21665.86 34406.52 22553.69 18279.80 18905.46 17548.98 18989.05 12072.99 25241.25 18011.86 25434.62
Glycyl-leucine
50944.44 36947.55 42050.44 46377.06 39659.29 34973.77 36371.03 40382.01 41498.51 33519.30 37354.56 33130.88 37827.47 44967.53 35451.67 45141.13 45249.61 69734.53 105495.79 124487.73 50079.93 85623.45 98206.96 123873.76 73668.79 70756.61 99524.31 134641.70 51649.65 79357.63 129125.42 124732.72
Gly-Gly-Pro
58034.52 67028.38 79843.31 76793.76 60107.77 65418.48 71940.98 75166.81 63632.54 67229.58 67770.01 65107.26 67482.76 63740.29 68599.55 68547.26 77837.73 76417.66 88701.97 85694.57 72203.30 96281.71 82724.26 79745.50 100262.39 74701.09 80781.90 86034.48 76055.56 72894.26 88075.41 83225.22
Gly-His
196518.27 161249.73 171891.64 169346.22 195267.92 207793.64 228166.83 273841.94 239124.53 183324.24 164890.46 174358.43 188466.49 199917.12 171569.41 195930.10 127031.81 153488.96 173031.09 154235.40 182855.23 163991.95 185620.70 165244.59 159622.38 184294.04 155667.66 158136.02 143404.65 155265.62 168511.19 149444.28
Guanine
43510.17 119022.34 219045.48 250900.51 48294.06 139144.56 301419.04 537539.21 48946.12 145873.27 188218.46 229542.06 56431.43 116757.38 215064.62 280700.03 47930.90 53526.57 59223.09 54137.71 45345.34 48566.55 61119.16 60475.62 53577.01 44212.52 56843.83 67260.42 51384.44 50090.75 63438.41 65929.64
Heme
367642.03 281251.65 246890.82 233778.02 323085.38 289082.02 231362.83 243111.38 338889.01 233687.19 253119.91 229644.54 324956.08 269294.59 260484.07 250324.56 444902.83 332842.50 341889.70 332594.27 414918.24 466455.70 411938.77 456476.54 392296.38 362985.40 374230.59 333259.78 445634.53 417332.35 377058.00 416186.83
Heptadecanoylcarnitine
144402.99 210796.66 220573.97 256308.99 142442.67 168577.23 215409.80 272034.10 188920.29 203643.86 210143.29 223903.20 159743.21 195324.05 231874.95 210628.70 297441.02 385077.82 473958.01 410437.66 315339.62 404928.42 474792.19 381159.70 490178.83 407337.38 310169.56 389764.25 398293.93 331697.45 366991.47 461965.07
Heterodendrin
158905.73 125270.68 141976.66 163958.75 135435.80 149293.82 127198.12 170175.41 144858.73 142420.94 151957.11 159094.20 145965.15 153961.34 163007.55 134059.73 216716.81 211095.42 226025.82 212080.53 207092.88 225314.12 204841.28 227428.88 263992.43 176053.70 197655.99 209047.63 184373.34 239938.70 222395.41 231798.32
Homocarnosine
74722.77 88963.68 83145.76 87256.59 65919.85 79160.63 89329.29 88987.17 78871.51 67013.51 77805.77 87263.64 76156.09 86945.26 68827.78 75964.74 107483.77 104806.07 123143.43 97880.94 104340.73 112681.93 101814.34 113120.16 128117.91 100638.64 105740.64 152029.24 110177.07 120609.21 128799.28 103936.96
Homostachydrine
45014.86 47626.67 37975.35 42064.33 40974.81 34295.44 46597.60 41914.13 34019.79 47232.58 37901.23 36035.85 45005.25 35029.42 38637.87 42975.24 60477.06 64230.32 62097.51 70328.99 67119.57 72781.71 63587.22 59816.42 92433.88 74638.02 59534.50 54722.61 63416.18 57647.42 65881.10 63727.32
Hydroxybutyrylcarnitine
136943.05 141394.90 158771.92 152769.85 136695.80 146783.74 154744.97 180438.44 160920.97 152155.12 156825.82 163476.82 161689.26 164752.26 147727.29 137203.20 248557.13 264614.01 254075.35 258324.30 235591.60 262243.57 267380.60 254315.42 280410.57 250626.22 235966.18 312697.74 244452.86 257118.60 286256.14 265760.34
Hydroxyhexanoycarnitine
33116.31 26915.34 37520.92 34769.41 36189.32 26879.54 31069.47 25933.88 28642.79 35516.30 31232.43 35243.18 30648.63 33433.17 30445.83 30563.27 47386.91 48307.27 44129.43 48538.65 50759.96 48729.65 54129.29 43926.20 64610.18 41747.43 43247.34 42834.86 44112.10 45313.41 52728.66 53836.57
Hydroxypropionylcarnitine
273880.87 373983.96 319536.39 351633.38 310277.43 301330.54 336495.35 379357.55 330236.99 330846.48 291376.13 304502.18 301239.56 300693.69 343976.31 323609.96 296837.37 321457.89 338728.72 331897.32 330607.53 318380.77 326726.57 325836.15 284815.16 288878.78 288124.01 288689.47 317214.30 332158.31 381623.63 341142.44
(-)-Hygroline
410541.34 412753.75 500366.43 473439.92 319063.28 457710.77 349552.49 196530.08 425990.08 449664.39 415523.81 353199.27 473734.74 367170.45 498369.08 509576.44 358244.31 375888.30 361213.40 477691.84 507639.39 372638.60 393461.10 477402.13 342186.79 364219.95 413199.24 467582.05 499494.28 493048.71 406473.14 471188.34
Ile-Cys-Gly
124269.99 132136.90 146302.95 133101.63 129325.21 111416.36 113583.37 130774.80 152563.38 119136.42 123056.66 148167.61 152432.58 134263.64 131684.88 141464.90 147693.63 136621.01 120489.81 141899.35 166722.21 133234.75 122094.74 130725.53 202463.87 141179.54 125464.25 128687.13 135991.21 137368.21 141044.75 147195.80
Ile-Leu
173279.97 148001.13 178337.18 163935.69 143380.74 149694.76 139795.57 176951.40 159228.31 143668.03 135048.64 171350.91 169188.32 162344.22 159829.53 192888.27 186849.31 162830.38 187271.41 150453.60 149644.04 157111.06 177748.06 165627.33 149939.25 149234.33 157577.70 152481.65 158479.34 198242.38 178166.48 176644.00
Imidazole-4-methanol
163474.76 161509.26 166089.90 185642.75 117430.75 160562.07 119002.89 153848.04 135127.35 152735.83 159230.78 164880.35 182489.07 135474.59 169055.86 194132.94 193753.40 159731.55 185770.15 173042.36 181438.86 170326.73 201528.71 184215.70 108979.85 165333.84 133320.37 214856.05 135112.46 141209.88 119794.34 187592.97
Indoleacrylicacid
145689.80 162753.42 172507.06 169143.95 137277.01 148072.59 144205.97 161921.52 166494.93 137499.24 164759.63 154436.34 154350.42 148455.96 161447.05 139357.33 224761.80 276712.32 278849.66 250303.50 299578.46 278643.18 286829.81 280946.53 299377.35 240615.25 269416.59 241881.97 256302.98 266537.95 274808.84 261256.02
Inosine
172557.21 176286.98 229409.51 193506.81 191807.84 222316.96 223373.28 261364.74 209029.21 202952.97 215454.61 209594.18 183197.42 254387.99 209963.74 261994.88 604700.44 477348.06 514652.33 620486.85 640895.03 643327.04 606266.00 833439.31 692776.40 526438.52 525825.54 649970.60 506826.47 545204.53 614522.06 722377.38
Isovalerylglutamicacid
62934.24 85516.64 89136.17 76637.23 58009.97 67564.38 49091.43 53504.65 112260.68 58276.64 94679.58 75136.68 76030.97 112027.51 83250.71 102800.27 66662.31 92121.53 48935.22 69694.82 89479.33 85284.99 67491.17 38621.95 76535.38 100015.52 71688.96 38569.26 114579.71 85492.71 64276.50 64223.57
Lacto-N-tetraose
67401.93 68532.58 74704.67 70938.42 66812.90 65655.57 71786.83 73848.81 64839.13 67688.77 74775.11 79671.60 70982.80 69522.48 75547.00 74115.06 75840.03 86651.35 83263.10 91726.25 83825.86 88635.25 87444.95 93351.86 82008.74 84227.83 80782.20 82091.70 81941.22 86956.33 82142.30 87426.61
L-Alanine
48344.48 198995.69 247235.41 51977.00 88106.54 53984.99 353966.62 498649.66 126188.28 234284.41 54636.07 398516.89 333453.69 408301.02 325064.11 48318.21 247563.64 217830.92 109831.95 110109.13 106832.78 136805.29 175299.86 113784.13 203892.86 161715.81 105235.72 218608.63 124094.41 132154.21 124674.55 125449.26
L-beta-aspartyl-L-leucine
77103.70 77774.29 83767.26 82479.21 71135.22 100244.84 104179.89 117694.08 78639.45 88436.99 89461.55 76322.03 90455.69 96095.41 77982.91 93965.85 84149.87 157343.47 130316.32 147484.21 69198.51 139305.28 133790.62 153369.62 108152.33 145766.17 139633.67 180365.70 74339.68 123663.99 165324.92 160710.07
L-Carnitine
273936.25 270733.18 307482.64 259768.95 280491.94 296481.44 292429.90 325397.08 304965.41 255355.49 258065.60 270916.72 263769.63 368705.78 255782.02 276137.69 312828.61 375558.11 365684.82 353126.60 317505.47 359469.99 432386.43 387658.26 546082.71 365168.71 326718.76 321334.45 385438.33 354563.22 352854.84 350507.51
L-Cystine
169868.16 185081.18 149749.97 181303.08 191726.75 102937.72 89734.95 178598.84 138225.49 196333.42 143841.82 123731.29 187688.18 163087.32 130645.44 126365.53 74059.21 91613.09 56069.36 70805.62 112478.56 50947.32 67516.11 49383.86 66693.93 109965.30 47560.48 71061.22 102245.36 60830.30 76567.59 61177.40
Leu-Leu-Leu-Leu
128614.27 134635.30 141269.15 122133.52 117412.97 127256.01 123315.46 138175.36 131995.47 123967.70 115887.40 118004.12 131484.94 126106.75 135819.23 124514.38 118651.38 132625.17 125535.99 127699.36 129511.96 124139.28 138967.83 131330.41 134755.28 124531.35 126984.30 122261.47 115992.82 140003.59 130547.88 128021.40
L-gamma-glutamyl-L-isoleucine
166198.82 156479.47 146595.54 133476.06 149025.34 181142.66 180864.26 182303.73 165008.12 165526.60 138546.82 131242.64 149730.92 179792.33 161153.67 148691.08 98016.93 170950.95 214755.69 231999.09 61984.47 167178.85 190167.44 215358.35 108953.13 110556.97 189922.17 223023.62 81481.65 189262.23 206236.28 238286.24
L-Histidine
107535.71 1889027.54 559741.01 966764.22 77772.32 102754.05 512945.65 1143311.12 2283131.25 80803.62 524938.84 96467.47 99955.79 105085.87 2510917.88 418878.04 1741493.54 923020.28 1079386.49 120359.44 94940.24 1116903.28 1517629.45 1176597.23 2047763.46 841082.33 104722.72 2753474.75 102281.91 1921864.92 107042.95 104385.06
L-Homocitrulline
42114.57 30157.52 33665.21 29778.16 34636.73 33737.83 30641.39 28144.57 41376.86 29472.02 28603.44 32205.95 29423.19 38745.31 25396.25 36142.42 97608.75 68335.51 72464.58 71016.44 61948.03 88912.30 65776.21 64251.77 112085.65 65748.90 66875.84 67161.84 66866.96 61524.37 69836.39 56106.46
L-isoleucyl-L-proline
75811.63 66637.79 80707.99 73255.10 68530.48 62885.33 70932.12 82356.46 74859.33 65432.24 79280.02 78985.54 64209.57 78610.13 72447.70 72236.26 75097.16 91607.55 77138.73 86137.70 82808.33 83136.24 82831.22 86280.39 100294.01 79481.98 86162.52 92363.76 79751.80 80170.31 92274.46 84343.60
L-Methionine S-oxide
271833.79 238815.82 296691.82 275724.91 243291.90 196508.80 227638.12 237495.47 230008.52 250286.30 253345.31 267545.39 234555.46 266927.90 282677.76 261389.38 292977.53 258730.32 296645.14 260002.00 204063.60 223171.92 281634.58 260479.26 311915.58 286341.69 267956.51 299645.15 206493.45 336343.76 317731.86 315904.27
Longifolonine
394686.25 373588.57 494299.00 343052.55 346262.00 336299.05 391927.46 316626.63 351905.71 381766.38 375126.47 385954.36 282984.99 368845.49 325528.21 326581.55 434413.55 461698.20 401803.98 328995.31 404198.92 419301.47 442066.80 484500.27 525878.60 429848.78 484173.47 427671.78 334298.77 448366.29 543377.83 452727.01
L-Phenylalanine
74963.27 114123.62 116110.35 104626.24 104937.53 92962.26 105526.53 94369.76 99220.18 102519.33 113432.12 123139.40 85843.32 97479.73 96194.50 114445.97 108595.73 106485.53 79936.28 106221.29 98936.32 107284.15 123814.72 82289.67 106654.59 90006.65 98034.08 97898.52 113415.35 101466.04 118353.40 89627.54
L-Pipecolate
826270.91 196079.47 150057.57 191234.45 753523.04 664328.35 1652721.21 2298735.08 771735.35 377716.82 543751.70 982467.26 771897.10 625024.79 656700.45 1126948.04 17980.33 11743.01 9536.49 11805.77 17565.85 12044.48 11216.10 11294.58 20403.05 12125.88 11352.95 10068.16 15567.80 11313.53 9290.40 12277.47
L-Tyrosine methyl ester
29413.83 61579.14 73111.60 44698.26 41093.77 53364.02 55145.89 44962.03 77483.82 55614.07 43848.28 31475.71 39204.65 61318.10 44501.33 67293.02 70710.31 53739.89 58162.18 55066.84 54258.70 40973.61 76081.02 53160.71 52038.55 45089.22 53474.39 48558.57 57224.64 75416.21 40747.53 51281.36
Luciduline
89568.33 113861.02 91136.90 141470.73 111931.58 90155.24 153089.34 64211.80 108805.10 80614.51 105631.41 103149.91 111407.93 112380.22 100906.68 103324.05 103334.86 66131.86 89067.91 81420.05 104828.93 84352.32 114054.62 114512.58 86627.63 116732.32 78837.90 71407.91 113108.43 92414.51 84198.38 112763.79
L-Valine
270028.02 285664.41 291183.73 273979.54 303732.71 200102.04 289854.78 283598.51 217322.68 253078.15 272306.55 281757.89 293727.84 241629.74 303431.83 200571.40 288715.76 236854.62 330226.65 427911.62 257922.65 240237.92 382958.79 274548.24 291817.11 311340.31 283134.31 316374.51 289918.02 405205.99 230815.56 329420.81
Lycoflexine
370830.70 375759.66 351831.47 385357.52 375441.12 372703.74 334669.82 315980.38 347529.44 321403.34 319068.51 386876.02 382380.45 405950.90 408216.82 397231.80 324621.60 356291.20 346103.65 395493.08 314043.46 373930.26 363715.48 337720.60 326844.25 314034.46 352597.55 351149.22 341981.05 371634.79 458135.47 395295.69
Lys-Asp
118048.73 115313.90 120758.35 112282.76 105121.63 106950.00 103329.10 126338.84 112068.73 113210.05 133941.79 118890.55 108149.55 117233.49 114467.35 108379.89 131950.88 124238.44 144315.50 144522.47 145914.99 161674.07 169600.46 157951.57 152009.05 146619.40 138435.07 131716.18 134463.52 142606.09 153634.69 145175.67
Lys-Asp-Gly
354136.57 384373.55 390917.91 313469.85 305237.86 365476.91 354639.12 411884.47 355912.81 326252.94 388968.46 378966.88 330152.32 344762.64 364424.88 355129.40 424754.21 401310.29 416016.51 443036.02 386831.33 445558.88 438416.21 453682.17 537857.06 391424.45 444476.17 414148.97 398025.20 436840.99 493775.82 484136.31
Lys-Gly
49274.39 - - - 41520.72 55667.21 71330.82 85944.18 53338.88 21844.18 18178.04 13264.11 47011.98 40358.70 27063.27 23339.05 - - - - - - - - - - - - - - - -
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine
164105.09 127149.06 161892.62 174522.04 156984.42 139993.21 106866.24 130958.81 157271.60 153081.78 151126.20 155707.43 157268.12 154524.76 127824.97 129202.29 204925.76 148634.41 213214.55 185342.53 218701.15 181406.55 194965.40 209287.56 186146.75 166892.97 148696.36 165285.03 189818.33 165463.10 178063.89 153062.92
LysoPC(18:1)
297603.84 125025.69 149897.87 45140.57 284104.59 76616.21 100642.98 99914.12 211156.86 116430.00 81888.98 - 257642.97 133289.50 75669.84 127076.01 264563.95 325204.75 293130.04 212857.90 361704.60 321361.36 262702.25 380500.67 300877.04 290533.77 392682.58 312028.85 244674.55 397217.27 376316.70 270848.11
LysoPC(20:0)
65129.67 59559.98 46991.23 40847.62 60417.50 61642.35 33129.87 - 76564.24 64732.64 43275.69 43329.68 79189.36 60050.71 40786.43 - 64177.91 77124.06 91700.91 89966.20 117709.89 90484.86 100549.88 103532.56 85465.73 91146.94 102786.51 84741.77 85144.27 97960.04 78320.50 94012.32
LysoPC(O-16:1)
172048.50 188859.39 192225.01 171665.76 168120.76 134495.65 176592.90 147766.82 182353.48 163438.92 198645.18 162683.78 195009.04 182056.88 163163.95 160837.59 183483.22 249470.69 229992.05 207305.26 261363.02 246760.10 275399.11 231615.47 220528.84 209905.40 177082.54 179697.77 190795.01 196270.53 195694.98 206517.92
LysoPC(O-18:2)
89228.60 97717.22 107164.03 118724.19 78331.49 101187.03 80981.02 97334.41 96764.39 83374.34 110405.49 95161.28 102101.97 106978.63 89461.09 91866.64 96966.23 106146.54 123356.11 121282.62 114167.21 111758.58 128215.04 103779.56 111151.14 106002.54 92955.27 107713.47 105160.77 99814.54 103608.85 118308.62
LysoPE(18:0)
268806.52 149376.67 137387.94 73027.51 176186.98 116540.98 104404.80 73962.75 203868.63 127443.07 108801.17 74846.88 195021.41 161438.89 106402.18 71485.02 286199.20 270958.51 231184.56 286060.38 294197.56 296593.28 316825.39 253872.80 298681.59 247910.40 229693.45 223895.10 243416.26 255992.90 262942.47 267393.18
LysoPE(18:1)
231945.56 120811.04 171567.40 121774.05 108074.30 130126.25 224560.02 206188.52 183262.62 111211.17 170537.27 113423.66 181316.98 191178.84 136515.07 148043.20 201656.28 220112.02 238522.34 163567.96 156624.58 290422.06 369255.54 212003.09 390315.50 130056.80 230697.10 162115.51 151121.63 201041.64 163496.50 177453.73
LysoPE(18:2)
86893.24 50609.03 65791.54 58212.02 46107.11 45353.09 103626.30 87331.24 69907.45 37853.30 62956.48 47066.13 80815.05 83403.78 52343.27 54713.44 71360.08 84273.28 83872.85 57518.08 69458.61 94450.52 142091.64 97803.94 114698.00 69431.80 98312.21 78213.78 62775.94 81191.62 73080.92 112174.23
LysoPE(20:0)
395842.29 264074.29 137103.59 75804.77 340687.41 215286.23 123608.20 58248.52 391954.98 202892.40 126810.23 49687.97 388525.46 236121.22 116203.73 69625.47 502751.96 546446.04 572807.71 462214.51 580978.51 589001.83 647450.46 541278.36 581533.67 523912.53 363651.76 459306.13 508162.98 512826.49 496595.30 589012.52
LysoPE(20:4)
211985.22 101385.22 142530.11 127139.82 94916.74 110157.96 173069.52 131101.48 164940.39 94505.53 159228.92 98567.98 158634.68 162725.28 121158.32 128033.78 234497.15 234995.08 269166.07 161790.61 153724.56 265232.61 316444.70 217663.54 379640.11 146563.59 242296.79 185769.84 154428.87 208860.89 186605.38 185033.14
LysoPE(22:6)
96279.84 50135.16 60494.36 80728.29 55954.08 29584.90 60474.12 39262.84 85110.70 23860.44 53617.17 29724.89 80286.92 43555.02 49711.41 53360.13 73964.53 58449.62 66182.66 73682.46 71056.26 78675.01 111841.38 79800.78 130174.69 33874.77 83493.28 67778.72 43561.26 62764.74 51920.97 45597.62
LysoPE(24:1)
374126.69 452723.85 434786.64 407584.42 410740.24 351045.60 364590.27 337903.80 423437.11 408651.82 347632.74 359983.26 360418.54 414507.29 415103.17 379558.23 349903.18 346119.02 452775.35 383047.19 379839.49 372754.98 391621.77 406759.61 357342.93 366102.68 305216.22 319670.64 399267.20 370214.14 328059.70 417498.04
Lys-Pro
106276.98 - - - 73952.78 104195.98 141952.98 203250.03 85235.85 31640.56 30900.38 57060.52 82835.67 52892.42 36444.11 54694.07 - - - - - - - - - - - - - - - -
Lys-Thr-Ser
102214.63 106006.27 115925.26 112686.87 92492.70 98141.41 96544.37 114490.40 107634.13 97289.16 103555.49 118115.64 104241.43 106507.65 102907.01 106411.51 127079.91 125205.01 115419.89 118773.97 128679.14 117812.06 136826.07 128494.00 134601.18 107883.11 113371.95 125463.84 126989.12 127417.71 120245.81 123345.91
Lys-Thr-Thr
57903.37 64415.29 54293.00 68117.69 54283.72 58069.11 59500.24 59768.20 59002.20 55512.42 68084.82 63583.17 55673.52 57393.11 53396.97 61931.71 62037.52 62592.75 62406.89 66275.28 63735.78 61450.09 73489.12 78014.14 71682.38 73198.78 61790.31 59586.85 60568.70 78461.04 67191.61 67771.59
Lys-Val
56440.50 6496.79 - - 66033.88 94523.93 111123.53 135841.23 63796.52 30648.74 24938.12 18417.59 63378.03 51910.98 36062.75 24119.03 - - - - - - - - - - - - - - - -
Magnoshinin
67397.44 51615.91 56510.67 56328.23 52115.99 62800.55 85679.44 80531.92 60023.90 55126.94 71970.94 62337.87 62936.68 57772.01 64189.19 60127.50 87171.26 82861.38 100834.12 100955.48 68483.33 74726.68 81307.69 70970.93 139226.65 83600.22 97680.48 97642.80 86299.31 77909.07 88030.16 72230.92
Melicopicine
64383.76 72509.38 87410.25 58199.82 60093.00 57122.15 74128.48 65404.77 78237.68 65289.34 98837.82 70399.88 68424.65 83968.05 95837.22 62438.96 84141.94 90099.60 54042.60 79628.83 68992.90 64050.17 61375.93 65197.61 76277.41 87027.24 72603.43 52456.79 64953.58 60015.25 72120.63 65382.79
Met-Ala
175271.53 209610.08 216066.60 210239.78 203890.78 181842.59 180061.21 194587.65 207397.93 206931.54 187069.75 199693.88 198871.73 205077.10 182021.09 219161.34 102507.95 129382.72 123846.47 112498.74 110904.51 97103.60 107522.78 126611.71 145745.03 115054.49 120749.57 125519.22 107389.93 97318.01 121075.75 113966.31
Met-Asp-Ser
60305.88 70150.91 65230.23 75938.35 69635.59 70566.54 66019.99 76418.96 61107.16 57101.27 67871.81 63110.72 65296.86 87581.99 70940.10 100094.58 51889.75 72420.54 91299.55 110981.81 52323.29 74001.17 98322.12 95895.10 53816.72 76977.30 111455.78 86995.49 47927.37 78274.01 102314.82 104052.98
Met-Met-Met
115549.97 110322.79 104682.62 130574.97 128124.24 142637.52 121503.17 182123.52 119247.77 110730.26 117118.72 119037.85 124575.61 118524.97 118313.20 157819.30 162779.41 166431.08 187074.30 178337.00 161928.34 151249.64 176390.95 225659.03 186367.56 148824.60 175728.84 199243.34 148160.59 152138.67 166094.77 198797.17
Met-Ser
103124.83 136845.15 116884.07 96440.88 94166.88 97733.54 133176.37 108285.59 96556.16 96770.45 98391.58 100164.88 110564.96 120649.45 104204.78 106813.20 66181.96 66375.35 60363.18 55349.69 63783.91 41832.25 43774.17 50343.00 70648.08 59521.15 47410.78 58507.70 57911.88 54778.36 47328.21 61942.88
Met-Thr-Asp
27935.56 32003.85 45036.82 59158.33 33129.74 32706.74 40651.51 45566.63 27495.14 30366.29 37551.88 49505.30 35179.64 32454.42 30291.26 48992.08 82765.95 65134.93 98277.63 116748.39 64718.52 65399.70 93743.35 118737.34 76835.97 67385.95 81067.22 107262.96 65731.95 67691.76 108847.60 126412.57
Montanin A
206056.07 244638.81 252550.09 214373.54 210383.92 200783.04 218955.14 240498.68 287593.99 195439.86 245823.69 180966.07 233041.98 230189.30 245150.53 226364.63 235966.79 213083.35 229897.36 184355.29 265507.66 232980.69 286743.22 287250.41 195602.45 175627.28 208531.78 224411.82 247624.89 253668.86 236478.14 249784.39
Myricoside
56935.51 68317.44 79509.56 73473.07 70638.26 60405.87 61763.65 93951.04 67239.43 59762.99 86138.35 63879.80 61592.99 76806.54 74282.76 77358.44 58425.96 78757.95 66506.04 74922.82 64841.78 66443.89 79616.01 68108.52 69296.87 58586.98 75734.74 67473.60 64111.08 66218.82 61198.44 68405.65
Myxalamid D
81234.68 81317.35 91666.87 104019.61 70739.86 86088.30 71285.69 74066.12 90254.73 71347.62 100635.57 106674.96 91530.76 95241.84 77947.57 75310.85 91355.56 81113.41 86378.82 86035.38 76736.74 71352.61 69744.93 73516.30 88425.12 69425.22 73809.61 71773.91 103092.86 85592.48 104136.32 102035.68
N2-Acetyl-L-aminoadipate
61552.46 77020.35 67350.35 68723.63 65960.53 61460.68 67102.92 70413.33 67622.29 73365.85 73500.59 69236.19 72163.24 72900.51 71056.80 65396.71 73517.50 84193.99 81332.99 87353.51 85140.38 82937.40 80464.33 86650.16 87895.47 86101.43 74344.61 81599.01 70361.71 76223.63 88742.46 85444.91
N2-(D-1-Carboxyethyl)-L-arginine
47614.67 25731.75 27166.65 40888.15 26591.17 30142.23 70729.06 120900.99 36219.17 18305.54 45776.21 60061.08 26074.57 27024.02 46703.12 71417.42 14311.37 - - - 19066.81 - - - 31626.12 - - - 37110.99 - - -
N2-(D-1-Carboxyethyl)-L-lysine
69123.21 66362.39 69945.94 59410.00 65746.40 66580.60 68771.39 91307.86 62342.62 60715.43 70774.95 78284.08 59366.92 70659.98 68809.23 61510.99 56801.72 52625.46 51093.58 61140.24 49244.00 54696.76 52252.71 66185.38 67037.21 51572.90 49529.61 50967.50 47613.51 61709.50 52363.28 56945.60
N6-Acetyl-N6-hydroxy-L-lysine
157616.47 194912.77 169943.87 165347.98 163227.17 182919.21 166857.83 169704.92 148953.88 142859.13 172170.80 160799.50 158394.02 176264.55 156133.80 154509.47 167220.41 180597.21 169748.85 194135.37 168420.27 203349.40 186376.86 182204.16 212193.31 188852.83 173869.17 173274.53 149794.54 174144.03 211021.79 188716.62
N-Acetyl-D-glucosaminate
59125.45 67298.88 84063.16 47941.26 92261.21 53104.08 63131.42 93019.70 90273.50 51461.79 91370.92 47324.46 83436.12 96261.16 48035.72 55208.22 94780.97 84568.81 66068.76 65736.26 63590.21 85671.06 64903.28 62839.16 181734.78 112513.31 127742.21 137424.80 58345.71 57179.03 84083.14 125991.50
N-acetyl -D- glucosaminitol
121066.24 135094.97 117451.75 148377.44 117581.54 107113.40 108480.97 117395.57 107684.14 122881.35 121529.44 129198.72 128200.67 161871.10 109112.73 106213.12 157790.84 164151.84 210987.41 179722.22 146712.49 196034.06 158272.12 160207.42 219293.15 176660.31 160575.13 160530.37 148095.21 189827.01 186908.07 188386.19
N-Acetyl-D-mannosamine
69199.82 88829.54 87762.84 76075.41 78239.80 77197.04 82094.66 76566.22 73791.72 71934.68 75094.34 75811.58 68354.27 76511.13 90177.31 95027.23 84530.48 97027.72 101849.40 99431.47 84330.46 102206.76 99887.41 85251.67 111086.50 106409.04 91013.48 108482.74 87835.36 119901.56 110897.60 99025.66
N-Acetyl-L-leucine
159070.69 150516.34 162231.34 145961.88 138220.85 155743.35 155356.49 141354.33 155450.22 157197.89 140108.21 147281.26 142516.83 171151.31 148814.10 160955.69 185981.09 187718.42 229654.19 189643.47 188244.23 201199.93 221129.09 183407.72 243638.14 189538.49 181800.98 209688.50 197263.88 173437.84 195076.75 194239.56
N-Acetylneuraminate
90422.06 82409.39 108761.79 111108.20 95436.63 91248.98 88601.72 118649.39 106325.23 88671.36 81255.92 98046.61 82550.42 102129.59 90698.54 113480.61 113885.49 139627.66 148781.37 142077.68 151536.47 135982.97 126665.90 141144.70 152393.20 118601.35 118228.84 142227.26 132886.27 156092.60 144803.69 138298.92
N-Acetyl-O-acetylneuraminate
218629.53 597963.00 831302.88 791965.94 188751.78 339935.13 365126.76 272709.60 218508.78 591742.97 843331.83 937566.35 226675.24 423221.63 805522.19 776288.23 27937.32 - - - - - 38955.86 - - - - 17671.41 - - - -
N-Acetylornithine
44616.80 47414.17 43968.37 38675.36 44675.03 51166.72 37986.17 46362.32 47293.52 45576.77 49648.87 35384.26 51235.29 49874.52 40069.77 43231.04 150407.72 110038.67 92375.99 97855.40 123945.76 124791.03 127295.33 96775.83 134364.48 119203.93 97643.17 91035.50 104156.33 153554.25 119202.29 89468.85
N-Acetylputrescine
232188.40 277621.48 316456.89 274248.17 221812.97 261446.68 264117.01 298168.59 249970.74 293216.93 316757.55 310495.01 255011.26 294894.41 272410.32 317544.77 201754.64 294840.32 252077.79 277535.15 249227.16 261842.29 268019.04 246731.77 259771.39 234052.54 241159.18 288672.76 196185.67 227883.04 256529.14 258657.51
N-Acetylvanilalanine
131926.79 119940.85 147577.91 132389.83 109386.12 116416.39 114600.09 143228.09 179331.05 168519.41 128858.98 134608.79 132049.93 144588.38 132095.70 102687.27 113851.57 135482.06 171076.15 107263.92 146348.47 121451.70 130873.30 112710.99 165519.63 146196.86 107562.27 100558.86 124601.43 152430.23 109611.88 123068.40
NADH
31191.31 23688.08 22311.20 16525.17 34342.03 26964.98 22249.00 20633.82 33970.13 19799.96 22414.68 17548.22 33583.63 23693.81 18306.26 21148.71 159369.91 212717.17 510023.70 303071.91 173448.24 339472.01 236717.64 588392.75 167870.35 232637.91 383438.03 316685.35 207926.68 227798.05 254331.89 299504.61
N-Carbamoyl-L-aspartate
850657.56 376807.07 122970.04 65607.67 791164.69 1077545.85 1046782.63 633956.10 879965.46 530578.53 180220.83 106652.27 826607.96 527432.90 250378.63 154829.46 57212.87 93487.18 114482.24 136301.42 70846.70 85075.11 98007.00 136069.14 72428.41 82476.99 110815.03 109316.35 62289.10 80180.50 87526.60 107766.62
N-Carbamyl-L-glutamate
222942.22 148064.51 144661.09 163069.26 203642.86 255432.71 263248.47 299934.66 223177.11 156401.66 152941.21 152501.59 232338.47 184327.79 158267.51 156387.04 209658.02 203406.69 198162.40 213345.96 196726.33 198499.90 217341.05 234135.17 212688.10 210870.68 195039.33 188183.23 194452.85 207319.48 222822.68 219866.28
N-D-Glucosylarylamine
223416.10 264156.90 265441.83 252057.99 237296.21 244375.48 207163.95 253108.49 299232.88 204188.44 360888.06 220983.98 218699.53 219109.21 233723.77 238188.56 223569.83 230566.23 232945.46 265307.11 432774.61 192063.22 332892.69 233379.39 244862.85 257176.76 173865.11 233955.87 260089.52 271833.24 269762.11 153241.67
N-Ethylmaleimide
29981.35 28365.76 32448.78 35532.99 26887.28 31781.67 30787.23 31659.69 27787.77 31595.30 33884.49 20168.02 28952.41 33032.06 30961.05 29522.56 44973.67 49232.35 31480.10 55417.11 36043.48 38690.04 46150.32 41499.67 60441.84 51628.67 44890.52 59296.33 44579.08 46684.51 56930.14 51581.94
Neuraminic acid
39890.72 50190.47 48248.15 47105.34 51941.18 42623.46 50686.43 45672.87 46031.29 44007.57 54727.25 48958.03 44302.89 47561.86 42776.12 44733.02 56648.94 57904.00 57180.87 60703.87 49478.45 54216.76 61047.31 56522.70 68145.55 52571.01 48670.02 52690.01 51395.07 49919.96 53653.30 53780.71
Nicotinamide
517626.91 284429.37 318509.80 443455.31 339673.38 171039.20 278145.90 330078.71 420207.31 216565.24 269886.73 314984.41 275077.93 304050.95 325250.18 407913.89 394140.36 404155.25 246570.83 159182.81 362204.74 431465.70 439078.02 788500.84 642631.87 236521.60 252827.28 296216.11 245079.34 509055.33 394572.94 287676.15
Nicotinamide D-ribonucleotide
129728.48 143567.63 136485.75 146706.82 115767.51 111743.70 110845.32 129322.74 123154.21 136099.98 127835.96 122151.93 120000.72 115626.62 130070.27 132260.86 159002.34 154755.49 161008.44 160494.91 129654.41 137834.58 141275.17 133591.69 145681.91 159157.23 150681.44 143030.86 146609.43 155980.34 168872.52 161279.96
Nicotinate D-ribonucleoside
524136.24 540196.25 564193.16 519100.39 507638.42 488457.00 492620.88 685425.11 523138.42 490859.16 561948.76 565733.46 540302.42 538241.81 535111.59 561118.05 237218.20 245767.17 273905.08 250816.89 420292.58 267415.52 417511.74 300214.57 439086.70 234065.46 386484.04 232134.03 229997.78 220009.58 269775.85 269022.20
N-(L-Arginino)succinate
254669.98 247951.40 253565.96 254085.83 260363.17 294149.06 245397.97 291869.26 284869.59 228050.79 266261.79 232356.92 241794.01 286433.66 233564.68 252733.87 264457.13 229590.01 210308.52 205868.43 281440.08 234821.59 218351.73 186051.38 372400.59 235927.48 180429.34 177293.84 268365.42 215740.34 207022.82 202579.81
N-Methylpelletierine
106902.64 88869.83 86115.68 83210.55 83540.04 97612.81 80336.52 94483.78 67321.04 72648.33 91748.83 88368.98 80536.14 95236.78 84384.24 86763.89 72474.85 97939.38 94035.73 100990.42 67808.06 94585.45 80015.97 105632.43 55258.26 109563.83 78505.39 95017.89 71560.49 81760.64 102855.54 101948.11
N(pi)-Methyl-L-histidine
176917.34 78552.22 48317.08 41618.08 115329.87 68377.94 48982.80 46727.42 98325.65 89464.44 47061.09 30308.48 165021.27 86700.15 44717.98 36882.75 219563.11 133041.92 96978.17 70685.50 182619.10 124267.89 100762.22 76730.51 240239.94 128081.99 102013.14 69920.17 158145.40 129655.60 113331.38 78998.15
N-stearoyl tyrosine
73025.84 92025.75 79781.09 61489.86 66338.82 58614.77 69756.52 54583.74 104474.95 102859.39 79802.21 89127.07 77980.85 120402.41 85180.35 56001.03 179414.77 173141.82 162984.95 131740.86 250893.29 198631.17 186006.73 140964.71 283296.09 178189.26 168750.08 165521.84 191892.58 174155.78 180642.29 157251.28
O-9Z,12Z-Hexadecadienoyl-R-carnitine
124600.13 135039.52 212290.28 117611.12 171148.40 151028.72 116667.92 137536.83 112272.79 147699.55 128642.52 217353.19 110374.25 125406.90 170137.27 242449.04 268734.54 328875.46 323940.67 240333.31 461017.16 256286.76 297840.10 393069.28 255535.75 397728.99 295725.26 301629.27 288535.35 328266.82 297425.64 265718.26
O-Butanoylcarnitine
165489.09 161254.55 159235.01 159009.90 151411.60 164884.77 154367.75 159207.25 155823.78 80396.76 162344.38 163784.65 167960.53 157018.83 148650.81 154351.64 305659.26 337673.61 304801.13 313720.90 326448.99 326791.95 351030.82 331918.40 332918.67 303170.29 311471.70 316730.39 330831.44 340070.23 350441.16 308918.98
octulose 8-phosphate
54315.65 56172.27 61143.98 53555.20 26136.69 63326.78 60899.21 57119.70 53346.11 52973.56 63065.66 56959.01 31939.67 62017.68 61709.29 58316.27 112317.36 64804.12 140995.80 143104.90 57151.66 130597.97 131855.92 164818.10 140931.04 84755.22 115309.63 145139.85 104620.28 85673.54 147319.80 158397.98
Octylamine
281785.26 265099.10 283634.54 275646.54 261178.05 269517.21 275842.23 286170.87 290592.89 273941.13 272440.83 253076.19 290623.17 266358.02 291113.90 273538.26 262726.41 281266.19 282919.01 280682.45 272353.91 281811.57 267592.20 291897.60 277271.52 275042.45 273537.37 264077.62 274907.79 304936.60 272057.86 290363.54
O-Palmitoyl-R-carnitine
61685.90 68183.98 65340.47 59745.10 57179.46 64536.65 58667.00 57449.11 63103.44 61203.52 61837.64 56873.14 60774.78 64594.38 61938.81 58751.74 121259.17 127653.76 105855.41 118129.41 118102.01 131551.26 122729.78 110968.05 157359.13 117149.99 106008.60 104020.27 134812.39 124651.68 132148.61 115921.10
Ophthalmicacid
21212.08 22751.94 18426.05 20102.81 22935.83 24886.79 22459.84 24632.89 23234.17 23561.93 25577.14 23534.34 22496.70 25292.15 22664.74 21329.81 75582.34 59704.82 69715.94 55041.30 67893.65 62749.63 54796.69 51005.51 80088.68 63696.91 50032.02 47045.72 70412.27 68664.39 55655.39 48624.68
Orotate
40167.40 42023.22 35239.13 53229.67 44676.93 42246.46 42975.20 44650.82 48656.72 45121.26 42581.21 43685.32 40989.60 49251.09 41185.36 47970.28 64907.08 57312.19 78426.58 62500.10 60716.22 70120.73 46414.27 64621.20 71889.64 89783.26 54227.03 55474.58 67290.17 63923.36 67316.87 60049.11
Otonecine
166634.83 171124.50 157740.65 150861.68 139359.00 136860.74 147539.39 166104.83 141745.89 134630.23 149299.34 152570.33 143849.35 157911.55 148738.07 148072.76 251737.73 312880.71 248780.49 219183.63 317051.65 237057.50 225576.58 288676.94 250410.09 211902.64 230794.47 241561.45 202571.78 237496.48 247956.18 229029.70
Ovothiol disulfide
71451.33 78869.52 62978.97 83272.57 88052.02 88513.27 79983.51 99568.46 80082.51 75755.11 85133.99 79423.47 73974.11 76715.43 76168.09 85972.92 83319.04 100334.48 100820.06 120296.34 110336.87 104711.01 90463.21 122288.60 98032.03 111059.13 106684.63 116745.11 107046.01 93694.30 97743.09 108604.43
Pantothenate
72993.16 79956.05 88011.70 82177.55 67749.84 74157.02 68424.82 98607.59 67268.49 76447.87 100974.61 85944.80 79785.04 85869.77 83174.18 93547.08 72190.38 90222.68 105109.48 121608.68 88496.32 91781.20 102347.12 122762.19 97958.15 91420.95 101194.61 153701.65 81238.99 83388.42 112234.37 116940.51
PC(18:2)
314758.20 106767.02 205516.05 - 220765.46 160149.88 315384.41 - 284994.88 155835.56 259647.73 - 317900.51 184846.67 142421.23 - 398609.28 429091.32 426445.15 291058.72 411206.76 555824.35 755434.53 464979.59 723687.85 247635.27 428222.07 332102.37 288616.69 388684.36 342441.23 427188.48
[PC(18:3)]
116230.43 62506.20 49193.17 - 75208.55 49313.10 66531.75 - 88917.11 38062.90 59550.17 - 111113.51 59876.71 39922.21 - 117578.20 104441.94 97386.60 112592.39 144732.68 125858.87 132679.45 111851.35 138316.85 103805.43 100339.34 110717.26 119097.91 105972.49 131667.98 136591.78
[PC(19:2)] 1-(1Z,12Z-nonadecadienyl)-sn-glycero-3-phosphocho...
389268.19 443182.90 369513.88 432351.99 434156.34 322123.08 525306.90 390050.00 381797.07 459447.19 432773.63 347156.63 427832.44 503754.84 427615.32 445862.01 415944.10 375150.62 441811.37 436367.77 465685.39 384389.49 435549.65 432745.28 426543.95 460334.47 348914.78 395739.07 416296.80 357324.47 404106.27 375635.56
PC(30:0)
408203.95 474405.86 491695.95 490445.38 436346.64 520296.67 416598.11 632390.51 451048.74 429218.25 452244.53 385431.75 403052.60 458878.54 422840.80 413714.03 335988.35 387211.72 382561.69 253080.14 438102.43 474757.85 417190.39 423748.25 446869.57 318956.06 404870.84 426668.97 409412.59 393201.53 440660.97 391751.25
PC(32:0)
224424.78 245928.86 258502.78 424597.16 242358.31 352891.86 242107.59 349402.49 272503.24 269020.33 169135.18 411340.15 225413.01 218231.65 280805.08 420266.96 180203.12 309328.76 145614.58 221319.53 198273.36 164962.55 226511.11 327750.47 154914.82 197676.62 258230.23 183297.46 151234.36 313387.49 166664.00 199156.32
PC(32:1)
146978.54 365860.41 289957.13 317689.86 282569.48 309475.87 328394.73 538051.04 395382.66 333043.56 188978.22 233779.72 310416.80 352859.03 214039.27 325133.22 253296.68 280435.86 271300.38 342778.74 322045.76 338672.48 290730.99 298055.91 269623.90 257433.98 254273.13 317093.86 268986.78 308396.42 302588.17 329843.13
PC(32:2)
171914.20 190711.74 186809.89 134865.88 125031.93 220594.02 182991.00 309615.46 204108.48 175578.03 157715.25 154152.60 159733.47 186436.67 187876.68 157328.32 187447.65 198909.25 201013.08 180891.77 242722.53 272480.17 208731.59 217912.98 214971.52 164740.93 224038.76 195161.59 205187.19 212863.16 241350.26 201775.04
PC(33:1)
195758.12 197051.18 247891.06 238186.35 207957.20 226229.36 263227.45 365846.65 224148.45 210745.31 251860.90 265514.15 214885.81 229754.07 248709.74 196930.12 105369.58 138923.00 97746.64 120045.48 125604.80 128096.17 127426.96 123698.34 91971.75 123829.29 117075.02 119960.79 119517.94 123325.70 129152.77 125209.81
PC(33:3)
150396.80 163841.65 171178.67 140549.61 145444.95 162964.30 143349.26 213972.84 153132.31 152912.03 156548.14 179923.38 150125.56 167175.17 142774.05 174335.81 120826.18 128642.36 102987.42 140439.66 132128.15 123889.01 136285.38 132984.06 115341.48 118037.98 127524.80 128022.71 129403.72 129633.13 132591.08 140267.23
PC(35:1)
103718.08 125836.45 138153.66 108664.92 90923.18 126851.18 183906.21 252382.32 123075.73 124583.35 125901.82 124308.69 107332.65 121263.35 129010.17 124517.42 48490.82 59855.74 48316.90 62686.53 64815.91 64384.20 73601.05 55723.43 55823.92 52607.26 54490.26 59012.79 52573.47 64340.09 64258.25 61648.98
PC(36:1)
137435.11 144230.68 171926.07 142655.04 134019.92 165435.92 197753.64 262277.85 80210.73 150868.86 158735.35 182899.02 128513.94 171992.99 183298.59 117395.24 72066.51 77168.70 63680.56 73500.50 78037.45 74348.45 74322.30 76774.93 58128.47 69198.64 64510.40 84256.90 71031.71 73976.62 33122.23 79662.74
PC(36:2)
270904.79 438749.19 434686.96 439831.45 331682.70 293032.14 450681.70 669308.12 162394.92 238113.40 166633.76 442992.26 384167.01 408998.93 407846.96 227461.63 188442.81 365638.46 166676.02 352080.55 337348.58 379308.96 373567.46 339861.13 347156.17 343482.32 356751.35 372020.21 350924.86 116618.03 385262.06 353278.48
PC(36:3)
184956.56 321632.04 200039.27 158037.84 95153.96 123297.76 216647.85 324141.13 239783.16 255388.36 337340.88 188573.61 91237.21 388829.26 250893.58 147772.50 157006.30 148565.27 205169.02 390312.89 124090.36 218030.17 186990.08 392583.06 148138.82 170065.79 246847.12 137332.49 375853.93 227563.51 168078.39 142434.78
PC(38:3)
328386.98 366352.64 377181.75 348604.43 319577.90 296519.06 317130.30 388614.86 368385.40 302419.54 457637.52 352390.28 340588.24 310318.80 360710.49 359096.67 265189.17 388166.94 342260.19 323954.90 365915.01 322637.99 362915.28 307126.84 261507.06 266971.76 319028.76 279016.91 279074.45 255964.43 255079.96 260632.68
PC(38:4)
454259.59 564083.35 751341.69 365835.65 450031.36 316457.70 591825.29 603131.62 564810.44 329806.19 595902.22 538043.65 409227.00 505920.80 468608.38 581859.45 286120.95 312939.68 321593.59 477224.59 621717.77 357644.22 495420.21 462394.47 449072.06 350698.53 361357.31 403530.46 614517.02 398623.30 436755.43 460952.61
PC(38:6)
135779.10 96938.93 191182.20 185435.62 184577.48 107339.67 232505.41 114472.07 119823.97 90603.33 137234.51 177416.24 173289.28 215258.81 92521.00 192467.28 146664.75 99358.41 262992.77 151872.54 150042.09 270100.15 177619.80 130646.03 73634.89 143645.22 177948.32 237204.35 181284.42 140175.49 168990.33 289918.28
PC(40:7)
112387.40 131447.23 138286.38 124712.89 113431.06 147198.37 122470.64 155046.30 162635.45 149064.08 152502.78 139209.15 117990.25 142640.17 163751.98 131774.58 132388.08 160225.25 157335.11 127086.89 150434.17 142124.78 144771.47 143866.39 147623.78 174441.99 187009.78 159105.99 146901.77 140426.64 164851.43 164802.68
PC(O-32:0)
103569.45 131396.36 155223.17 151919.17 110781.49 136852.75 123330.52 132304.12 162600.06 116619.16 143158.33 134890.89 116072.45 125364.03 136465.03 117077.80 116239.64 147246.82 151591.81 118332.20 132943.57 190635.73 172990.39 160348.83 140721.21 132163.29 142418.23 165597.95 153230.99 103250.08 137186.61 138621.67
PC(P-34:0)
325830.31 392462.40 505987.82 396955.70 315973.26 396200.11 343480.59 407105.19 429560.57 390692.85 410910.42 397990.52 349720.64 374182.23 375302.49 304304.20 317090.48 402581.89 431023.54 328874.89 395330.32 451185.44 416184.66 398954.44 363913.64 398671.05 432309.65 326487.90 395745.12 436669.11 538875.04 422471.58
PC(P-36:1)
175495.94 170618.17 175490.01 155581.62 134314.72 158474.05 117536.55 161126.60 183102.85 157369.76 182914.74 139343.58 119307.01 154964.27 189891.01 146044.33 132011.93 159523.96 199461.73 181698.34 175307.61 175233.61 207349.93 161768.72 156180.57 142911.68 195388.36 127775.86 155289.58 145939.86 159438.49 169665.90
PC(P-36:4)
124690.34 158285.35 161183.19 121514.35 117773.82 128896.88 139801.76 137576.60 160086.31 103854.15 185457.04 136850.39 156084.46 113248.74 181487.55 141714.17 174977.77 141548.59 191699.58 184465.32 170800.90 205756.42 226279.37 195275.82 157936.30 132455.19 215885.80 128701.99 124662.02 153432.12 184069.82 214535.99
PC(P-38:3)
223184.18 204170.58 283345.66 139343.26 137223.07 208123.48 168714.06 257251.36 238554.30 182955.58 219826.22 221590.59 197082.49 219675.20 268170.54 170141.86 223686.31 263313.90 299201.22 204365.53 273274.35 250922.93 324783.88 234151.09 230799.08 257862.55 306648.43 210764.75 229695.32 218345.37 317860.69 292666.86
PC(P-40:5)
53724.48 62761.19 84631.11 65850.67 54881.86 67369.55 56233.29 68878.07 86227.33 82578.86 117388.01 75985.02 66935.22 79854.14 61502.34 70732.98 88757.86 116576.48 95872.66 64809.32 89589.12 105022.52 95646.93 102368.01 91725.73 70740.80 107564.73 64651.84 107498.37 95229.95 95663.99 93454.28
PE(30:0)
212225.19 188758.77 213639.64 219917.15 202408.64 195498.18 200109.31 221370.97 209646.93 198801.94 200337.89 175608.21 202719.29 207380.21 211984.99 207144.09 212445.44 209367.18 209570.66 209780.04 212754.80 203360.74 162920.04 173982.45 189615.46 213633.97 155509.32 172034.58 154788.71 207503.73 213244.65 219800.27
PE(32:0)
255368.14 328998.65 349374.03 315934.68 253581.87 282175.14 272846.29 299236.96 260528.95 252880.84 299910.90 276171.46 313660.26 272777.30 315192.06 289881.57 207516.27 219973.85 207936.00 298956.07 239967.78 242959.44 295785.99 249547.92 179387.19 220916.42 227715.87 245442.09 201905.85 226838.40 266474.59 264758.62
PE(32:1)
263433.67 312284.70 313054.39 318012.99 242916.42 283012.64 256113.86 317513.55 268125.02 255875.94 292612.60 271904.29 308699.66 293603.28 304675.65 261803.60 230776.85 260287.26 229968.06 305678.22 282230.30 256240.67 297946.74 280875.67 218982.68 242987.45 274860.48 260330.62 222385.11 260576.74 280145.05 289115.39
PE(34:2)
460890.43 386178.38 402226.25 415536.54 359397.24 420160.88 434335.03 470242.27 422620.54 383196.35 453671.88 409323.82 446101.52 427804.23 449272.22 487730.26 262830.95 227716.95 275633.95 276800.85 291605.93 251332.27 299373.64 303629.46 245082.20 278915.35 277083.73 262558.15 262389.49 282342.17 280501.24 278585.14
PE(36:1)
374434.44 352902.55 434347.54 475909.48 355636.21 403105.16 449142.07 537380.61 378221.16 345479.19 451811.50 378070.28 375545.67 410723.53 440343.25 464530.75 177037.53 220161.91 189029.37 223085.22 201027.79 231675.90 243967.96 201466.32 169964.88 200661.18 205069.09 196471.09 197643.25 255894.15 231932.93 218841.83
PE(36:2)
227089.77 306517.95 271832.22 310900.31 304011.96 349102.45 340892.00 465118.77 345772.34 309002.09 351809.15 367559.07 317048.33 329653.23 379180.20 391944.76 238120.72 276769.94 253657.06 299433.56 155293.69 268451.46 266476.05 260656.15 233974.82 265481.19 225999.52 230136.70 239014.02 279706.34 278692.98 265579.87
PE(36:4)
136533.42 287803.26 185493.09 288744.21 147254.61 150799.12 288979.84 197404.84 135366.20 169373.74 251876.27 155000.21 129895.41 184197.39 198328.85 217562.82 140496.83 144503.06 118263.26 204130.38 242697.74 179543.67 129190.12 247180.54 207990.76 178393.64 137593.98 178394.90 136808.67 210992.60 141982.32 265087.77
PE(36:5)
308027.48 332870.53 329980.09 341935.86 323702.96 413830.71 378332.26 344148.73 403473.59 355534.23 395690.83 356101.60 340976.86 399237.30 395301.74 356677.60 212441.67 241357.47 235517.29 230358.03 281865.12 279047.82 238437.54 238593.71 234379.93 231046.73 235128.82 198787.09 239948.67 268144.47 260456.11 251240.69
PE(38:1)
276988.13 305764.38 281539.26 309034.73 236336.84 298376.08 269824.24 434299.66 301398.78 309968.14 422183.36 326634.46 292389.21 300639.51 306240.09 338193.47 121444.89 127408.93 147865.47 161081.61 169222.09 167678.02 159763.41 126466.66 123154.94 142815.08 116631.75 144120.24 141276.61 138454.89 140498.79 142027.82
PE(38:2)
160357.52 213426.15 175734.15 173705.32 161694.85 200887.33 190273.55 261251.88 191628.32 170666.70 192880.88 163064.42 190852.89 154348.18 173142.06 215222.20 124345.62 145433.17 160267.09 168321.57 150752.88 161715.39 178552.54 132453.29 161073.22 117285.71 116671.37 148075.21 152153.06 155661.19 197655.74 160999.70
PE(38:4)
322054.63 339902.19 336742.09 363326.58 282791.17 324515.39 342622.84 333474.97 339337.47 301686.83 299700.69 328286.32 336706.32 318885.15 352838.91 334232.80 281585.63 319478.86 269127.59 311916.24 251977.76 342603.31 293159.09 312466.28 257439.36 212915.78 304994.21 270815.84 319444.82 320802.94 366645.70 306332.98
PE(38:5)
219388.33 251972.44 224273.58 135976.96 207560.41 167865.00 217882.78 274244.69 251045.56 152704.98 210640.46 138018.90 222558.96 239595.76 229894.22 231745.08 197475.27 204554.08 178971.70 215088.06 212222.32 124645.81 210366.62 205486.26 190433.44 206540.23 112003.27 132245.87 226466.24 228218.62 168486.44 159746.05
PE(40:5)
274874.59 353141.76 371635.56 364116.95 282765.15 348584.28 316478.63 354022.99 360661.11 311258.52 395503.53 335668.95 321000.99 302625.57 327908.86 290596.96 275714.09 316048.22 256105.31 293882.89 245298.95 289530.71 307670.84 276491.03 274896.03 278141.12 261894.23 235258.00 280165.95 296859.69 286541.04 252844.47
PE(40:6)
321389.22 331147.27 324117.12 361837.55 304739.89 346014.34 286136.67 337975.67 352672.13 276381.05 404491.71 354161.05 391968.94 361496.31 332520.01 338874.60 355233.77 401218.91 354166.15 332374.48 372895.03 420685.46 436649.93 349242.64 399594.07 384913.79 361633.42 324507.84 386534.95 370999.14 353177.21 329680.49
PE(41:4)
150492.29 268496.74 76731.94 62550.99 76965.53 88174.93 125502.98 165639.42 266544.45 202824.42 168576.67 256369.59 228253.08 176145.27 261890.48 113679.05 213971.78 250989.51 199048.50 81098.09 226517.08 132871.74 245264.18 236459.18 129236.81 218347.63 91785.41 212200.48 72859.76 103966.27 162245.20 107054.06
penem CGP31608
81263.99 83755.17 74238.12 86660.00 73530.54 98083.85 81760.27 82336.32 85791.67 81538.46 72179.54 78276.19 59461.16 73175.73 89743.03 78712.69 120053.39 133189.16 83909.29 111128.65 109019.08 87533.05 140624.27 101560.84 108719.24 94390.13 101457.73 109165.91 100946.11 104358.49 102120.45 92605.70
PE(O-38:5)
124977.18 162378.55 130116.64 144872.19 126150.44 138282.96 133222.42 152659.26 142009.04 146716.32 122588.82 137029.76 116364.05 147483.62 146183.91 139481.60 117725.82 168505.99 105955.95 139641.65 151545.26 114167.94 181721.49 136973.96 109401.78 145245.01 142609.74 92317.75 127581.20 144491.13 108398.10 167069.56
PE(P-34:1)
177658.22 254900.70 246773.78 235197.60 194293.84 247790.89 193155.97 191186.36 239419.62 212889.74 246979.01 236400.85 204398.19 223843.71 236929.16 210674.78 232660.52 293990.50 252248.86 266303.62 254631.61 268104.01 294517.63 263196.81 183899.56 234578.96 268980.38 233810.63 258029.63 235306.38 312653.97 272866.32
PE(P-36:4)
227475.76 294510.95 390280.81 333544.90 503591.78 374952.60 479875.35 405445.69 419559.41 353274.76 309509.88 288222.29 357758.50 353391.65 348238.49 270807.03 396212.82 417122.21 281769.80 545203.44 326003.28 315654.24 589658.97 263634.57 366563.29 415323.08 344506.04 375946.55 396834.22 369568.40 324252.03 463236.17
PE(P-38:5)
298904.97 521626.64 312014.15 426184.47 382905.36 398741.46 367289.27 477894.02 403899.09 304981.86 513204.35 298849.03 319147.46 551467.00 385357.07 315204.48 333620.84 560863.72 306478.49 504869.68 422555.80 444614.65 388802.34 363470.16 536059.50 354955.93 409271.48 394704.30 371931.22 330222.98 567446.88 487447.75
PE(P-40:4)
226091.68 271979.78 265776.68 288604.50 247455.97 244505.19 248562.64 285292.92 305687.51 239231.24 256976.94 261655.85 249830.34 270626.47 242820.70 239443.22 269658.02 293583.97 262361.28 307907.28 292694.12 269392.36 322959.79 292112.86 226457.49 252767.82 264227.90 232742.20 270881.59 306827.35 296899.31 322435.12
PE(P-40:6)
326559.38 349926.01 352397.01 407122.14 296363.75 342420.94 324242.42 357188.29 337222.00 320419.73 353805.23 353381.34 340003.12 372937.99 330603.23 363296.10 314824.11 374988.19 365533.23 412907.01 438381.96 377109.63 406760.56 389115.66 323147.70 382780.35 350232.13 350265.62 351344.62 367450.98 400259.07 422287.84
Phencyclidine
195734.23 33871.20 71119.92 68973.41 96900.01 64744.77 65412.68 108095.16 52145.56 52127.36 167111.02 127831.38 101938.31 73228.67 178855.82 60046.95 72238.63 53888.34 59982.66 92003.35 44278.89 72592.85 45016.99 40960.01 43239.12 58170.51 25747.24 37351.45 115483.50 77462.58 100449.01 60644.59
Phenethylamine
132018.28 159454.92 143696.14 131000.21 132108.15 143871.70 150740.32 135471.45 147750.64 134225.67 143668.84 129615.43 133541.77 141713.69 138617.51 128769.49 136987.88 134480.17 146495.48 134483.12 141106.68 150103.25 149253.07 144966.47 131739.39 143980.39 124418.51 139887.84 132378.32 144804.42 158532.95 133860.60
Phosphocreatine
101178.33 85691.42 95060.64 82486.95 104383.18 90833.23 95111.49 90268.59 96409.88 90164.08 93746.06 91474.02 113884.02 99208.09 69046.64 92155.11 178984.29 196074.01 173854.29 166606.33 170350.87 201090.99 198827.96 178406.01 201792.38 188977.65 176756.55 177500.39 170195.28 172910.87 201757.59 183531.74
PIPES
1639146.21 1674979.21 1642611.25 1620561.92 1511214.12 1619728.46 1485966.29 1630644.83 1678444.21 1514573.96 1453934.00 1620709.67 1611928.00 1594349.71 1596572.38 1515911.33 1717239.33 1817601.25 1554570.58 1574681.88 1610480.17 1637228.12 1752013.50 1618081.67 1873507.50 1586619.58 1463656.92 1578255.75 1666870.38 1754222.29 1602121.79 1618212.50
[PR] (-)-alpha-Bisabolol
109700.59 93605.17 123848.40 96400.79 113555.37 102514.61 96531.36 108003.05 106206.40 117457.54 108990.67 108016.19 118616.47 126035.40 120633.73 118603.73 111291.46 107657.42 115902.24 96113.13 120614.05 127314.26 109196.16 128415.59 109114.45 110672.18 96904.84 114565.35 95367.61 108502.82 115603.39 107220.12
[PR] Farnesyl pyrophosphate
67082.19 53414.97 63131.42 51270.38 51005.14 48510.13 50206.01 46383.53 49216.20 47869.85 57403.09 52020.14 49233.26 52088.00 55213.93 52971.73 78510.07 67589.85 97083.58 70536.14 84495.16 68281.40 64975.29 68589.83 122422.59 68588.66 66345.62 63848.53 54553.58 58531.25 66909.08 68248.96
Proteacin
47968.25 37313.26 39019.66 24654.70 55035.05 50887.39 41105.07 47515.49 35316.58 54113.58 48349.77 56544.61 56427.24 48924.09 39424.38 28117.29 93682.04 70294.20 93443.02 78484.84 76875.22 103602.77 131164.98 84371.81 97774.54 68310.12 82804.59 108490.36 99466.30 88141.87 110218.06 87960.60
PS(34:0)
193996.54 215943.67 188048.40 229545.31 180046.33 222918.04 247013.68 437551.92 204714.29 224460.62 219047.07 198546.29 217708.35 199257.39 231783.09 203650.36 121899.56 103345.70 74597.92 129650.24 125498.26 109228.79 126990.69 102889.34 76143.32 101269.59 113276.33 112078.80 121334.08 119571.28 128249.44 123492.61
PS(34:1)
303155.58 383392.45 350309.59 316822.42 272549.64 325655.27 337545.97 447208.52 300265.86 294982.91 340299.47 301751.54 361623.46 350152.43 361506.67 322025.11 188134.37 191461.07 203414.51 224474.48 194289.74 211541.86 228238.31 189103.64 150716.98 178209.58 205359.85 216777.15 153928.78 190429.77 225998.86 207927.36
PS(34:2)
73195.29 79207.62 82529.26 70229.98 64092.61 90257.99 83399.88 92049.89 76938.23 74115.39 83537.46 69897.17 88442.44 85617.57 82170.83 71796.77 35031.73 36656.50 34551.11 47775.37 43773.92 42919.16 38673.58 33046.70 37309.51 41359.17 56290.83 52891.47 28463.74 53569.18 36601.87 54662.09
PS(36:3)
338003.98 416974.44 430401.71 357835.01 293655.69 381538.79 410879.69 558449.51 329805.35 366094.53 368556.03 376485.50 431470.78 396155.77 462869.65 359640.72 172185.89 190964.48 201426.52 213108.87 191422.90 196130.02 189466.90 200572.02 149082.45 185835.36 195607.94 208723.92 150547.87 190924.03 206903.79 203855.97
PS(36:4)
170466.29 206065.99 202723.56 187071.17 152045.03 185883.08 191173.74 239068.01 172451.21 170274.36 202139.51 195763.51 223742.58 189807.08 205716.51 174982.09 121043.63 120026.63 127813.07 137889.49 115876.83 130342.91 138247.49 137765.79 109232.32 118634.67 135077.80 118497.70 108375.56 117765.17 133322.63 139029.51
PS(38:6)
195324.76 250085.46 231183.40 231422.19 197909.30 211110.27 212630.43 252972.85 199557.30 203337.53 231562.24 224182.69 251705.03 203008.57 245058.63 222067.96 204705.25 203036.30 216101.79 226057.95 205409.63 198850.35 248682.10 238623.72 194223.93 192597.46 213321.10 197703.09 192734.51 222878.67 224775.34 223518.06
PS(39:4)
162877.54 191452.50 176415.33 173773.06 145617.02 167332.70 165160.08 185741.51 157189.85 163168.50 163077.14 167209.52 170114.20 153496.60 176561.18 156757.21 179887.11 174207.86 164579.90 224278.13 201862.49 194766.62 222429.61 199169.36 189067.68 174531.66 176597.67 169578.84 189454.81 185296.66 202897.04 207695.58
PS(40:8)
150129.33 178561.48 177030.46 173075.79 141204.61 159997.70 153182.59 183218.69 156975.99 162807.96 169880.88 182596.91 193469.99 155524.62 181677.76 160408.16 196584.07 166915.60 193428.92 208666.57 204212.46 191174.79 221843.60 221883.59 142360.34 178662.66 201741.91 189727.23 185362.80 195575.35 205135.55 207082.08
psicoselysine
40820.57 45314.96 43499.97 36631.08 41936.54 51273.28 87256.82 117784.88 37473.18 50985.26 54054.89 58425.25 46512.86 54240.88 68138.63 65389.75 - - - - - - - - - - - - - - - -
Pyridoxal
37442.22 56146.23 83788.67 95513.13 36857.60 48318.32 70093.93 95030.67 38555.35 53757.03 77741.49 88991.22 36418.95 45573.24 76307.35 99220.61 64760.51 63430.74 104372.82 122809.06 57690.95 59142.19 88917.85 133270.26 88018.44 70767.02 89151.91 119601.27 55111.98 63392.75 100228.83 112292.41
Pyridoxine phosphate
158425.67 182063.52 137819.94 98739.88 165940.67 145679.60 128815.89 124039.39 156102.00 148653.05 128156.09 110285.99 155599.97 154399.34 132324.43 131168.80 188143.38 194380.77 184545.19 138184.42 164092.29 191422.61 169676.61 141731.86 202032.55 172182.91 155258.28 141106.81 156736.62 194642.14 176081.25 130797.74
Ribitol
36655.69 67436.14 46285.27 67251.30 27671.22 69613.09 33092.03 56048.67 29436.41 29208.96 30000.37 21829.43 39518.83 37029.74 39035.01 32706.61 365732.52 290344.10 419011.89 301456.97 338955.88 293164.34 362349.02 257447.86 383345.75 224359.91 293932.34 292534.44 319542.06 203439.74 294295.92 376452.76
S-Adenosyl-L-homocysteine
153082.06 137985.05 152883.62 133842.53 124770.40 138424.04 249318.11 334875.48 118670.49 157057.08 191601.02 211252.78 135027.29 164124.16 225432.16 229388.40 81460.98 78135.76 80580.86 93298.82 80960.70 78333.64 77567.05 100149.17 100461.08 72355.43 72677.82 73606.76 94806.97 94884.46 79005.55 88517.12
S-Adenosyl-L-methionine
392750.11 694168.80 784955.82 797356.25 476297.91 473636.85 620701.67 598546.04 386474.46 659828.14 746001.40 915874.15 469010.93 674560.72 763721.10 894212.46 342069.57 324774.95 333179.24 318704.14 333638.83 340521.07 278675.71 328681.04 398450.75 321762.26 316749.55 319240.06 339744.36 290823.73 345745.46 346469.13
Saphenic acid methyl ester
67524.82 72834.97 77089.09 72096.82 60197.42 72905.69 60558.01 53008.71 78873.80 86381.77 71948.63 68634.21 77942.96 62542.92 61346.94 61787.72 86495.42 75625.28 54347.31 70065.60 71407.08 57059.02 71049.68 49775.10 60764.24 76738.52 60526.00 57601.51 68646.17 82810.50 72372.06 61185.39
S-glutathionyl-L-cysteine
137536.33 134376.27 150741.61 149276.02 158717.51 88562.89 139667.89 218272.97 146953.13 104252.61 138840.56 94013.90 236660.21 185039.55 115395.36 119046.97 180861.23 175424.26 213147.31 147352.58 219088.80 180719.80 111760.38 162526.77 276131.49 170653.14 149882.64 147448.72 175777.60 131882.90 146674.01 133939.42
Slaframine
306615.35 315871.22 294736.14 302269.29 285467.29 300933.67 317716.74 322892.97 312355.05 309256.05 322659.63 288179.98 298035.43 358697.99 267936.95 324601.80 343800.43 356191.00 377584.06 360598.73 367729.89 415279.66 333575.30 418570.97 470416.53 317700.23 323018.01 397605.28 382223.36 354554.57 396926.97 356104.90
SM(d17:1/24:1(15Z))
295982.66 184114.26 243232.29 244362.43 295164.94 225387.18 221782.87 263748.45 198711.17 206339.03 260882.58 212613.73 229927.40 251022.48 266864.90 229340.31 210633.60 240933.54 270172.76 224484.56 346494.08 271792.49 315892.82 263135.37 183812.81 218363.84 292277.04 215150.08 236575.52 235024.33 251991.16 206173.80
SM(d32:1)
93842.45 108554.80 124058.91 112014.06 94139.40 96837.78 107153.30 113944.86 109691.39 100329.98 93272.05 98601.08 91170.32 102330.01 95429.86 94637.58 113215.91 129530.06 101871.41 116298.66 125837.05 136884.83 129189.22 124668.06 122657.61 104111.19 95508.44 101787.92 110360.77 123081.39 125536.50 133449.20
SM(d33:1)
216917.55 317269.60 380336.66 282536.33 248940.52 276614.27 264593.86 350948.40 303043.11 262377.95 281077.57 379311.47 259688.16 251242.45 283421.75 384404.27 196491.23 303326.34 252736.80 240578.64 291831.98 232318.41 226232.20 235989.12 145349.68 281253.27 271432.64 265649.48 220178.77 235717.10 272050.66 205875.66
SM(d34:1)
402196.74 159234.06 363694.04 160910.20 322988.70 339614.95 336765.75 365735.60 217685.10 316321.15 211551.44 392874.30 162558.73 193012.38 351100.84 375394.88 146954.06 428781.33 296472.61 208462.78 366873.44 185719.84 287518.35 356022.23 304553.04 379762.45 330461.43 392234.64 358560.12 433067.68 240065.37 441649.54
SM(d34:2)
99650.02 95911.18 103200.37 97394.34 87926.27 95385.18 95731.40 107089.88 105845.38 89617.24 97636.18 92000.88 92397.03 96411.08 88284.04 92864.83 95206.82 101097.22 94553.71 110417.78 106295.71 107113.31 112346.33 106368.84 105647.15 93195.84 96614.95 87873.33 97090.23 111271.93 110210.54 108956.67
SM(d35:1)
472708.56 364422.94 310146.77 362423.06 255009.67 317747.29 270382.01 340832.64 403697.97 250358.20 385071.54 315238.57 295019.94 275626.28 364388.07 315240.49 235553.05 332090.32 279074.26 358365.78 306865.81 318390.33 352539.01 318097.24 231735.57 328854.40 270483.49 241169.18 298272.98 281186.65 303271.08 316823.78
SM(d36:1)
328159.19 405888.31 392018.86 456726.11 359500.98 342275.58 365331.66 325040.44 350171.47 310373.54 310133.32 489333.09 300753.76 328319.70 436606.68 408204.92 363209.38 482449.18 321012.68 436355.99 411269.14 352078.90 412271.38 425158.42 231335.32 418391.94 468835.27 563795.92 377292.57 416854.51 391914.33 406753.65
SM(d36:2)
103001.78 130834.09 142588.49 126657.26 113403.05 117060.33 106354.61 136537.15 136079.25 100804.91 103419.34 114253.88 91006.61 79262.47 117570.03 106339.06 91033.32 155607.16 105214.85 143576.12 128032.61 129517.70 124272.97 111304.36 105646.91 121392.40 106473.25 157157.65 113128.88 149865.54 124626.17 123118.31
SM(d38:1)
84727.02 81717.20 85200.84 103228.45 70409.28 65895.27 77628.10 112473.95 82713.77 72264.04 75843.20 130414.46 71613.26 73482.28 82708.08 80114.55 75996.90 116394.92 64422.69 108082.87 93005.93 77295.98 94153.27 79438.76 64878.71 81854.12 113050.08 111542.33 83896.37 109648.87 96401.68 102890.82
SM(d40:2)
147686.74 127936.32 159858.44 160697.12 111949.71 115248.69 124363.34 152936.94 119043.28 123458.90 128664.53 141618.79 121894.96 120279.67 140168.89 133030.28 129328.71 183094.48 120431.95 159795.79 152929.92 133388.96 169855.36 196849.83 122544.01 153468.85 160225.34 194143.32 125436.93 143270.91 145902.79 157127.84
SM(d42:3)
322969.07 410368.89 372533.39 363010.69 304741.07 322638.79 373466.60 208076.71 385747.16 349100.21 284076.68 332690.14 264395.06 370854.25 338069.63 340577.42 353762.49 388747.41 280673.94 422434.35 389111.95 435292.22 430985.58 374809.96 339139.54 359212.04 347143.85 363229.85 269205.23 411085.06 413158.21 448868.75
SM(d43:2)
97628.54 94230.86 90893.92 100676.66 91285.71 83630.76 75219.33 78439.12 98691.86 97939.73 94010.12 86996.94 96175.58 89562.28 97722.86 91671.11 81169.23 94398.40 103019.60 87169.96 97357.18 107780.07 106244.01 102578.18 68138.55 98235.94 99315.31 107257.55 89574.19 101057.48 100491.25 109735.34
SM(d44:1)
109169.05 97911.36 95079.63 116286.44 102709.66 89983.82 83504.16 110496.93 104167.79 108727.80 102338.72 106244.49 126439.67 103890.46 114480.83 94826.90 75409.30 94642.66 60747.64 113892.75 123031.66 84715.37 108592.51 93167.35 47161.98 99739.48 85582.41 86275.60 112158.74 109846.30 90681.65 88065.60
sn-glycero-3-Phospho-1-inositol
68014.45 42056.84 34024.16 31647.53 57257.03 43926.09 52969.73 49206.09 64345.22 42450.41 40464.36 42412.78 57992.05 50897.43 38775.94 38503.54 24791.90 27941.34 32716.74 31032.29 28463.94 30814.91 27776.31 38056.99 35059.53 31672.05 25347.18 27058.05 27866.14 28065.12 29979.09 36119.51
[SP (14:0)] 1-deoxy-tetradecasphinganine
250356.38 212098.06 320609.69 294900.92 273907.01 211080.10 289936.97 223058.22 244633.82 209837.43 257443.65 339661.53 228028.31 239922.48 242862.53 232876.20 208713.63 263264.52 272093.02 251989.08 287409.67 219122.78 281472.61 262050.17 244249.26 287579.86 192363.69 175972.60 203402.96 230696.40 236031.02 222136.52
[SP (14:0)] N-(tetradecanoyl)-1-beta-glucosyl-sphinganine
251186.99 326759.58 370115.04 286578.84 268873.11 265380.45 306914.48 282525.77 299465.73 251510.42 295816.54 323464.03 263076.12 325285.31 264408.95 277271.09 260615.56 293418.92 276635.47 279889.11 312545.94 263059.70 260721.98 283478.77 295675.85 259372.25 261717.30 261954.11 265128.53 273483.60 285206.72 291160.86
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
134403.64 146486.49 126391.53 141847.77 132200.61 127932.64 125848.20 130705.16 146302.91 136061.64 151360.05 155331.33 146677.85 150757.63 128094.38 129666.11 105140.53 126381.36 127651.97 143795.62 161276.26 141347.92 139573.25 125634.03 104315.92 138140.67 106492.46 141424.23 127668.35 128610.24 133847.10 127798.16
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocho...
228080.16 194960.16 159754.33 180857.59 220017.32 181060.36 156294.12 167456.85 171182.32 180337.00 237638.10 203893.47 187682.29 181225.20 167679.96 191495.40 164270.80 213979.93 208673.35 243926.29 211655.92 185619.69 216030.18 187400.23 119127.76 196584.99 231339.83 197714.57 172424.53 193170.98 220526.32 199747.53
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R...
2239937.75 2199315.25 2232307.62 2813807.54 1238561.83 1666512.56 2225478.67 2036032.42 3376398.08 2058864.88 1395500.56 2157158.17 1758356.38 1986815.08 2636518.21 2331809.42 1193735.18 2464265.88 1200200.19 1097766.38 2665967.79 1334823.38 2479470.62 2512190.08 2431131.79 384508.84 2028346.58 1732976.62 1662724.62 1837788.21 1799431.46 1836754.58
[SP] Pramanicin
246340.86 290408.72 247504.59 271421.72 253586.01 239008.59 253847.10 248258.36 260295.93 267252.56 258093.46 256863.02 257886.48 274633.71 275985.17 249345.83 261741.34 264890.48 238404.77 262996.31 251606.92 275515.25 251156.47 262017.51 233772.29 274443.92 253883.46 256366.52 241877.77 248177.33 246842.29 265446.25
[SP] Sphing-4-enine
121364.23 159752.57 206141.88 211843.92 116895.79 148865.84 132360.69 135080.92 158128.43 143836.43 170864.39 166436.40 160305.51 144310.15 138474.54 171849.01 157498.32 200395.19 223432.48 262561.60 160227.88 172754.22 224284.34 274696.84 179388.42 202209.44 205672.37 260937.71 148398.58 188634.77 230356.82 262605.74
[SP] Sphinganine-1-phosphate
100586.27 134382.51 216210.90 251451.26 146936.22 155731.53 182112.68 296849.31 126181.08 133169.94 171529.46 250714.74 87327.19 150858.53 171788.82 375595.89 179840.09 177046.05 153780.55 181480.54 223477.92 165178.55 167047.92 229227.31 268308.27 164003.77 189557.96 289840.04 176232.88 142122.94 159008.53 235781.80
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
310717.10 458135.51 291471.61 342819.93 444014.86 507395.18 338082.78 246934.07 566597.39 422949.24 782114.73 503729.05 317670.43 352480.52 260756.28 340972.45 781394.77 349737.04 306742.41 502454.71 268838.05 755867.05 683359.75 540829.66 377722.47 442587.89 572017.60 437741.61 806124.71 457556.82 608932.68 339327.92
[ST Trihydroxy,ox] 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5al...
511253.80 534124.20 510979.39 473557.77 469353.55 443865.98 438670.07 530143.46 658203.79 457373.96 572168.67 445371.98 580801.40 555355.01 479273.42 403196.53 426696.50 428465.74 516911.14 491938.67 584116.47 466221.68 580466.06 547047.88 449985.00 499483.82 451447.67 510869.27 557566.16 388285.39 560354.20 566634.05
Suberic acid
326329.71 325501.15 295399.02 267329.24 257578.66 276173.53 291160.07 272684.04 273771.82 305015.62 255247.34 272629.13 300894.29 302879.66 300079.02 319239.45 288183.65 312092.61 353727.44 306560.14 294010.39 320098.48 305123.57 279220.81 304201.03 275215.51 280356.51 300080.79 320124.89 323242.96 303260.84 317593.52
Sucrose
103817.37 102899.54 104479.80 97849.18 103958.49 89922.24 113962.52 111687.87 102018.37 103595.34 94595.89 109791.94 107467.40 109131.12 96882.75 110706.13 107948.20 115665.99 102668.87 125370.10 114339.29 135285.91 101548.32 106093.78 124978.36 97660.70 116053.67 116364.43 102738.87 122951.73 192389.25 124925.92
Taurine
259297.20 255465.52 270734.36 308611.86 275557.13 263372.59 258806.75 239299.95 293290.28 252766.86 221743.70 253089.31 277879.01 301066.69 223385.56 231958.33 677783.12 626031.35 594862.19 554339.58 742030.92 624966.85 655893.06 546045.69 713515.05 551029.14 602046.92 576338.62 663474.79 694356.44 562002.41 568410.17
Tetrahydropteridine
56726.17 64112.68 73945.78 83568.08 60754.74 75418.76 85579.26 87031.27 62970.06 79300.41 64796.97 71203.64 81493.57 72370.99 78692.27 90600.55 80049.52 78199.36 50754.29 67258.05 79826.65 74932.08 89853.09 87640.03 59270.55 47345.51 62797.64 57018.56 62499.28 60659.04 56843.29 99020.92
TG(50:1)
11920.24 15073.41 14281.68 11474.39 9949.76 23155.06 50964.57 100600.57 13876.60 16265.24 17327.31 16815.62 12390.82 18503.06 23859.44 21452.10 3997.51 6729.11 6958.63 5026.17 5671.53 10827.96 6833.98 5707.47 5732.79 6307.15 3855.42 6886.07 3470.95 6896.71 5634.00 4723.42
TG(52:2)
27063.59 28674.87 33739.50 30810.38 21911.73 41700.86 99765.31 245108.01 26897.47 34762.22 38324.09 49740.49 20765.26 39350.65 54235.39 68406.37 14099.35 15592.01 15257.65 14207.27 13732.84 22212.77 14988.51 16015.73 14504.61 14813.86 12199.13 14362.78 16460.38 12682.04 14146.97 17135.46
TG(54:3)
16973.04 22711.00 24443.46 23546.57 13498.65 33828.47 72070.96 155253.44 16143.59 27331.32 36612.02 41344.69 16703.67 27956.16 47824.74 59157.64 3392.95 6641.33 7058.36 5152.24 8961.65 11240.31 8811.41 8404.82 7214.51 8238.70 6217.24 8832.44 6996.44 6201.94 9158.33 7753.07
Thiamin
111756.80 121256.42 136978.50 136673.04 93795.24 86437.41 112042.39 150335.67 89339.73 126308.72 160036.40 144971.64 111495.87 115761.90 130666.12 125676.72 48276.77 69011.27 72655.41 90869.98 53160.52 72990.88 72277.55 92885.03 58232.83 60911.84 64412.44 79052.04 53311.75 70176.97 80560.09 95742.05
Thiamin diphosphate
79050.30 102288.14 109944.17 84541.05 80043.37 107828.77 178297.61 193694.72 76747.95 95931.58 122286.44 133274.96 94870.91 124288.46 158012.98 146333.37 67915.56 65378.72 91063.02 78359.32 63543.01 65409.76 78410.41 92645.12 78855.97 68231.65 80978.20 69308.30 57756.99 51887.50 82898.96 72863.67
Thr-Ala-Ala
161158.95 121617.79 120830.03 116473.37 143588.78 222285.29 241442.75 299635.88 165419.44 123492.68 138816.29 132196.52 152106.79 137045.11 139470.68 134380.16 108840.45 122871.52 122125.41 136680.42 123798.69 129662.27 126948.16 129090.02 144546.78 116746.83 131820.26 109045.96 123505.52 115511.34 116977.77 135156.67
Thr-Ala-Pro
51313.94 - - - 43425.42 46587.99 72509.96 105226.03 45158.09 12762.29 28549.40 34292.65 48793.48 27405.27 25092.86 22910.31 - - - - - - - - - - - - - - - -
Thr-Asp
77040.27 42287.50 33112.59 34871.74 63880.68 78221.54 84875.29 65492.81 75766.49 49409.78 37625.27 39548.06 70692.62 57751.25 39705.40 34560.12 42122.77 36961.47 41610.39 44169.07 35415.22 36344.31 38315.57 52334.66 48108.54 37294.68 44843.31 41296.80 34975.43 41178.09 42391.77 48413.22
Thr-Gly
114733.76 146967.13 142924.07 163207.31 125317.04 125057.05 135108.33 142002.59 108507.82 125004.91 149775.21 146059.06 126039.29 134445.28 130007.43 152667.52 143902.27 142636.97 172900.00 162659.38 151572.23 143934.78 146976.59 175170.04 163098.55 155621.99 142908.90 161933.91 126402.38 128609.62 160820.44 171810.45
Thr-Pro
132416.68 5337.87 - - 105336.14 145256.91 231685.21 349375.90 136423.04 35147.07 44168.84 38737.66 125597.63 70229.46 53036.38 40623.68 - - - - - - - - - 4327.37 5819.50 - - - - -
trans-Hexadec-2-enoylcarnitine
98286.53 83410.71 97050.50 73549.72 69622.54 84931.53 93865.34 86017.55 103184.89 68146.29 73954.69 66216.97 84497.50 95509.35 90650.81 77863.67 177564.47 181359.98 159276.77 182854.76 184030.45 162397.43 192561.71 158117.28 233578.30 174458.57 125008.56 136683.53 169025.97 168718.47 148983.02 187608.34
Tributyl phosphate
435576.87 381061.21 527336.30 364701.51 245697.06 465004.36 242003.12 500577.14 563648.24 331670.73 438793.08 463167.29 446233.95 321586.81 472373.45 364121.74 237385.84 323703.32 200485.00 107783.86 361948.24 263338.83 239057.69 403164.35 470486.79 157995.58 224389.76 209782.30 283741.65 184039.27 522706.25 363448.98
Trihexosylceramide (d18:1/24:1(15Z))
119102.51 114819.19 117658.68 165697.48 89228.49 93313.65 101462.46 120693.01 149966.35 108095.28 133888.41 116992.66 97441.00 108047.60 142798.28 94552.22 116897.62 115675.70 91733.27 122610.93 153815.15 144322.69 116775.99 91578.84 122294.30 119632.57 107198.80 179930.09 115430.71 128530.05 108242.17 120502.85
tropine
124706.20 100502.37 89608.17 92548.98 103355.68 98179.65 84668.74 88326.84 113103.21 74385.35 61791.49 113497.84 94112.94 76259.44 86837.23 69910.82 82983.62 84975.56 65309.29 79892.02 82135.55 117620.59 93553.32 86355.09 70752.85 65565.97 80495.83 94594.59 84769.15 76052.02 101444.04 103368.30
Trp-Cys-Gly
41273.95 35810.57 36188.72 31921.04 22673.98 26320.08 31961.13 27190.68 34321.82 27256.60 35340.14 35052.61 35129.79 34407.45 30014.05 31348.05 36628.54 40510.40 38431.18 37105.72 35844.89 36839.37 38832.20 41842.80 59935.03 36530.15 36145.28 37153.32 37451.18 41248.95 35928.92 40569.99
Tussilagine
53952.74 58210.54 53597.64 50765.39 51117.51 50336.98 54553.93 59508.26 50608.57 45834.78 61266.12 63708.29 48330.82 55753.39 37739.31 65341.48 67993.81 73413.82 74987.91 71167.87 77078.40 79492.89 85772.99 96482.76 89530.99 74542.26 70680.46 67961.73 82393.37 82726.70 81585.73 84986.49
Tyr-Tyr
89530.72 88448.15 100882.13 90805.17 70732.59 95617.69 88215.31 88376.30 96769.56 101593.44 91321.31 96499.75 83206.60 84293.57 102280.90 84488.26 100242.53 90025.73 93093.17 76315.95 96256.19 87418.26 111801.51 78551.75 102966.47 109878.83 96757.45 88276.29 93379.02 101877.24 97547.82 93457.93
UDP
349826.76 375007.27 418853.63 346935.11 319483.41 396003.05 396221.27 436220.10 339940.67 346071.49 372964.48 385457.42 328769.45 366665.56 414738.92 416562.93 349715.46 373108.49 393179.45 359383.57 329715.42 401446.48 361666.63 431701.25 398276.18 375616.54 370000.25 367471.89 340337.27 394869.55 385666.02 367060.20
Val-Ala
177278.43 191003.66 169546.35 223733.91 159969.42 184451.43 168769.71 173337.47 140209.96 172950.15 187299.28 170010.70 152872.00 237843.54 167863.38 145071.98 71945.68 125653.29 173518.13 112677.48 71577.41 136971.31 114811.12 101474.27 79949.04 117892.65 104780.44 87753.59 75360.19 138615.72 127373.73 125646.54
Valeroidine
740725.27 823792.60 792456.71 840727.27 726385.48 764832.75 797296.60 801055.35 805402.31 846124.52 807054.15 726553.46 807481.38 762181.69 744867.15 777711.06 807140.81 771681.04 792921.25 719691.79 788171.81 815179.19 704126.73 756744.94 886198.58 746006.79 781580.44 750105.50 840831.46 763066.29 843634.04 789621.19
Vicine
63517.67 58015.40 58168.22 65448.53 52906.96 51525.95 56708.87 53522.53 55458.57 59292.83 60858.15 70591.67 55447.76 64380.42 62433.64 48281.12 76005.99 81366.82 76085.90 84227.22 73293.54 81892.50 63887.67 86768.72 93591.87 67313.32 70360.29 79706.46 70480.03 70826.10 66166.95 81826.17

Factors:

F1cell_type:iRBC | treatment:DHA | treatment_duration_(h):-
F2cell_type:iRBC | treatment:DHA | treatment_duration_(h):3
F3cell_type:iRBC | treatment:DHA | treatment_duration_(h):6
F4cell_type:iRBC | treatment:DHA | treatment_duration_(h):9
F5cell_type:iRBC | treatment:DMSO | treatment_duration_(h):-
F6cell_type:iRBC | treatment:DMSO | treatment_duration_(h):3
F7cell_type:iRBC | treatment:DMSO | treatment_duration_(h):6
F8cell_type:iRBC | treatment:DMSO | treatment_duration_(h):9
F9cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):-
F10cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):3
F11cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):6
F12cell_type:iRBC | treatment:OZ277 | treatment_duration_(h):9
F13cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):-
F14cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):3
F15cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):6
F16cell_type:iRBC | treatment:OZ439 | treatment_duration_(h):9
F17cell_type:unRBC | treatment:DHA | treatment_duration_(h):-
F18cell_type:unRBC | treatment:DHA | treatment_duration_(h):3
F19cell_type:unRBC | treatment:DHA | treatment_duration_(h):6
F20cell_type:unRBC | treatment:DHA | treatment_duration_(h):9
F21cell_type:unRBC | treatment:DMSO | treatment_duration_(h):-
F22cell_type:unRBC | treatment:DMSO | treatment_duration_(h):3
F23cell_type:unRBC | treatment:DMSO | treatment_duration_(h):6
F24cell_type:unRBC | treatment:DMSO | treatment_duration_(h):9
F25cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):-
F26cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):3
F27cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):6
F28cell_type:unRBC | treatment:OZ277 | treatment_duration_(h):9
F29cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):-
F30cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):3
F31cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):6
F32cell_type:unRBC | treatment:OZ439 | treatment_duration_(h):9
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