Data for ST001033
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 |
|---|---|---|---|---|---|---|---|---|---|---|
| 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-g... | 764357.84 | 824471.97 | 671276.44 | 849133.05 | 700091.61 | 636618.84 | 628095.94 | 770534.91 | 577856.36 | |
| 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one | 124290.50 | 162056.21 | 67075.41 | 400841.65 | 147375.00 | 89269.00 | 125354.75 | 448813.19 | 103682.98 | |
| 1,6-diaminohexane | 79526.00 | 88314.90 | 78485.96 | 80440.87 | 77247.25 | 109897.25 | 88912.50 | 95028.34 | 80186.62 | |
| 2,3,4,5-Tetrahydrodipicolinate | 95239.60 | 94549.25 | 99723.04 | 91303.86 | 116205.67 | 83183.15 | 118849.42 | 85934.45 | 107911.50 | |
| 2,3,5-Trihydroxytoluene | 56311.36 | 53137.76 | 52776.74 | 82767.78 | 81597.47 | 53132.73 | 73127.08 | 67575.92 | 68712.89 | |
| 2,3-Dimethylmaleate | 676758.94 | 484760.40 | 699871.48 | 904126.06 | 1079553.94 | 632787.45 | 997492.42 | 625044.08 | 926090.89 | |
| (24R,24^R)-Fucosterol epoxide | 1200276.81 | 1243956.84 | 1300614.12 | 1087320.78 | 1207337.69 | 1161852.23 | 1078563.11 | 838822.52 | 1057114.52 | |
| 2(alpha-D-Mannosyl)-D-glycerate | 365747.69 | 333978.86 | 373512.01 | 443157.79 | 479858.48 | 340235.31 | 442177.36 | 358015.55 | 399518.28 | |
| 2-Amino-2-deoxy-D-gluconate | 308192.02 | 305326.58 | 293748.85 | 364283.34 | 343617.22 | 297105.80 | 346238.17 | 347297.85 | 296053.99 | |
| 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate | 158520.16 | 159787.77 | 171085.64 | 133548.51 | 154861.80 | 169174.77 | 138511.79 | 137771.48 | 140416.01 | |
| 2-Amino-9,10-epoxy-8-oxodecanoic acid | 100948.29 | 105822.92 | 82231.31 | 156634.56 | 162074.16 | 82027.61 | 165023.68 | 135938.57 | 143023.71 | |
| 2-C-Methyl-D-erythritol 4-phosphate | 1426527.79 | 930483.81 | 1474756.73 | 2431189.69 | 2469324.59 | 933370.69 | 2348874.09 | 1693975.53 | 2025135.81 | |
| 2-Deoxy-2,3-dehydro-N-acetylneuraminic acid | 1227704.88 | 1209773.25 | 1166236.72 | 1473793.41 | 1269623.75 | 1156238.28 | 1311630.41 | 1286473.72 | 1131170.14 | |
| 2-Hydroxyadenine | 577079.27 | 1270644.34 | 466727.74 | 554696.42 | 672945.56 | 667861.31 | 674917.23 | 574957.22 | 678516.14 | |
| 2-Hydroxyethanesulfonate | 22981.14 | 20206.93 | 17440.76 | 42964.91 | 30110.98 | 263603.00 | 117850.77 | 139159.07 | 45452.92 | |
| 2-Oxoglutaramate | 85143.00 | 62293.30 | 53265.06 | 62801.46 | 86010.75 | 103964.25 | 111175.75 | 100631.05 | 121558.90 | |
| 2-Oxoglutarate | 5987368.88 | 5405303.00 | 5353600.38 | 7688227.38 | 4764825.00 | 4269696.44 | 4620180.94 | 7057348.50 | 4294084.50 | |
| 2-phthalimidoglutarate | 290853.09 | 277658.73 | 274733.62 | 257240.77 | 263071.92 | 313234.61 | 300874.33 | 280788.30 | 274352.79 | |
| 2-Quinolinecarboxylic acid | 367792.96 | 353868.65 | 273731.27 | 350826.49 | 271169.53 | 249525.31 | 305683.58 | 166250.96 | 487284.20 | |
| 3-(4-Hydroxyphenyl)lactate | 95990.00 | 90865.69 | 95884.41 | 99826.19 | 106634.50 | 119607.50 | 102975.50 | 95460.52 | 113425.25 | |
| 3-Amino-2-piperidone | 92972.00 | 94952.88 | 88571.51 | 93344.46 | 88932.75 | 120750.25 | 103598.75 | 94789.76 | 97197.14 | |
| 3-beta-D-Galactosyl-sn-glycerol | 365358.58 | 370347.45 | 379629.68 | 348114.54 | 357705.59 | 391131.45 | 379153.16 | 314830.72 | 356738.35 | |
| 3-Dehydrocarnitine | 580347.25 | 511940.16 | 520435.63 | 470736.63 | 472842.00 | 473938.00 | 588759.00 | 429690.66 | 518086.07 | |
| 3-Methyleneoxindole | 174676.96 | 206940.21 | 137131.62 | 169537.89 | 144811.60 | 104823.91 | 163740.84 | 68047.77 | 249267.60 | |
| 3-nitro-2-pentanol | 75082.71 | 50131.05 | 59781.04 | 77776.62 | 56128.71 | 97326.49 | 85105.06 | 58984.07 | 75003.00 | |
| 3-Phospho-D-glycerate | 719775.51 | 550535.85 | 658552.39 | 1064913.03 | 1391204.69 | 1019673.95 | 1642290.47 | 1159506.41 | 1169184.39 | |
| 3-propylphosphoenolpyruvate | 148010.11 | 137668.72 | 122789.82 | 149309.77 | 152576.17 | 140557.69 | 142813.52 | 138487.05 | 143233.52 | |
| 4a-Hydroxytetrahydrobiopterin | 528190.85 | 524548.77 | 600033.95 | 501279.56 | 515249.00 | 530257.55 | 450939.88 | 442947.20 | 521577.30 | |
| 4-Amino-4-deoxychorismate | 171696.52 | 152342.02 | 130736.40 | 235155.57 | 230221.94 | 125502.13 | 206211.77 | 214060.90 | 172424.74 | |
| 4-Aminobenzoate | 845521.50 | 868481.77 | 908188.78 | 876183.94 | 865495.17 | 981696.22 | 922453.17 | 798270.11 | 884439.92 | |
| 4-Aminobutanoate | 7225738.75 | 1110107.84 | 852679.42 | 2397241.69 | 2100840.00 | 1768084.75 | 2116372.25 | 2321887.50 | 2102576.91 | |
| 4-Hydroxy-4-methylglutamate | 78987.88 | 68766.57 | 60005.79 | 112732.80 | 84528.37 | 53834.82 | 80873.28 | 93915.56 | 69794.60 | |
| 4-Hydroxyphenylacetylglycine | 285386.66 | 261714.42 | 231802.12 | 375226.87 | 322985.70 | 266084.33 | 329067.24 | 428152.63 | 278674.60 | |
| 4-Nitroaniline | 193321.16 | 198060.91 | 151433.97 | 181766.04 | 147944.00 | 301743.66 | 197857.90 | 181534.34 | 161253.73 | |
| 4-Pyridoxate | 134740.19 | 120760.55 | 112782.98 | 129815.79 | 140710.48 | 143414.63 | 134229.54 | 125040.52 | 120049.26 | |
| 4-Pyridoxolactone | 184259.13 | 184536.93 | 179832.66 | 177876.20 | 179346.65 | 174680.31 | 173889.16 | 177815.97 | 167987.45 | |
| 4-Trimethylammoniobutanoate | 6995806.50 | 6998431.75 | 7705190.75 | 7342720.25 | 7188341.62 | 7296825.00 | 7328151.88 | 7106515.00 | 6858327.88 | |
| 5,6-Dihydrothymine | 1609640.00 | 1646573.72 | 1709506.78 | 1831359.59 | 1732468.25 | 1857178.50 | 1843928.75 | 1610203.44 | 1821632.06 | |
| 5,8,13,13a-Tetrahydrocolumbamine | 1275710.75 | 1267469.19 | 1387002.00 | 1243647.28 | 1319205.75 | 1411035.25 | 1253275.75 | 1293847.84 | 1245052.16 | |
| 5-Guanidino-2-oxopentanoate | 402656.50 | 266625.57 | 281703.02 | 383030.91 | 505109.75 | 341300.75 | 514624.00 | 362719.57 | 386567.04 | |
| 5-Hydroxytryptophan | 756444.75 | 728324.45 | 716567.94 | 647732.52 | 500164.25 | 678214.25 | 640822.25 | 505634.25 | 687545.09 | |
| 5^-Methylthioadenosine | 2337079.50 | 2004267.09 | 2292689.34 | 2114505.09 | 2104145.38 | 2357415.78 | 2427183.56 | 1820080.16 | 2366013.53 | |
| 5-Oxoproline | 8306756.50 | 7454689.38 | 8101702.00 | 9505433.00 | 8890216.12 | 6899096.00 | 8423930.00 | 7855365.12 | 7882570.50 | |
| 6,7-Dimethyl-8-(1-D-ribityl)lumazine | 441616.92 | 346687.63 | 363584.01 | 403769.18 | 288339.34 | 285389.58 | 315850.91 | 362222.49 | 307380.19 | |
| 6-Acetyl-D-glucose | 410612.75 | 402500.98 | 438924.34 | 390508.02 | 347033.75 | 383072.50 | 377019.25 | 354937.87 | 375347.47 | |
| 6-Phospho-D-gluconate | 93794.00 | 73302.17 | 80687.05 | 170583.74 | 156202.75 | 101738.25 | 177932.25 | 208501.33 | 122635.34 | |
| 8-Amino-7-oxononanoate | 1965081.00 | 1913741.25 | 1928904.97 | 1970983.66 | 1931980.75 | 2078783.00 | 1965488.50 | 1680796.66 | 1899748.72 | |
| 9-Oxononanoic acid | 181900.23 | 161743.29 | 184174.35 | 169900.92 | 177854.58 | 212250.23 | 193339.18 | 184610.02 | 208243.82 | |
| Acetyl phosphate | 85441.03 | 76548.97 | 64462.69 | 113889.91 | 61757.13 | 45269.73 | 64228.32 | 109151.85 | 56967.40 | |
| Adenine | 467008.15 | 481873.87 | 464791.02 | 529675.92 | 481220.73 | 548280.67 | 526292.98 | 454346.44 | 492979.52 | |
| ADP | 2684561.25 | 2491374.44 | 2197178.06 | 4332197.06 | 3764415.19 | 2827855.06 | 3857667.62 | 5514360.75 | 3021707.31 | |
| Ala-Ala-Ala-Ser | 452402.50 | 418391.83 | 451388.37 | 461922.73 | 432120.25 | 466492.25 | 426276.25 | 408916.21 | 408736.02 | |
| Ala-Asp-Ser | 160710.02 | 174792.09 | 156310.59 | 179767.36 | 163628.91 | 171099.71 | 170900.69 | 153925.18 | 166613.99 | |
| Ala-Glu-Glu-His | 271400.00 | 37794.81 | - | 451856.73 | - | - | - | 444571.48 | - | |
| Ala-Gly-Pro | - | 269792.53 | - | - | - | - | - | - | - | |
| Ala-Gly-Ser | 16744.67 | 93906.91 | - | 23950.23 | - | - | - | 23574.00 | - | |
| Ala-Leu-Gly-Arg | 91531.75 | 91249.39 | 114073.64 | 119990.61 | 118581.25 | 87324.00 | 119467.75 | 85546.06 | 108505.74 | |
| Ala-Leu-Thr-Ala | 1988503.50 | 1980244.19 | 2036672.53 | 2155209.69 | 2153381.50 | 1902750.25 | 2059671.00 | 1945263.16 | 1982869.41 | |
| Ala-Leu-Trp-Arg | 28491.25 | 13588.40 | 19661.57 | 57508.08 | 43661.25 | 8912.75 | 38366.25 | 35851.68 | 27048.35 | |
| Ala-Lys-Lys-Asp | 200058.00 | - | - | 346454.73 | - | - | - | 293991.73 | - | |
| Ala-Met-Asp-Tyr | 1318553.12 | 1479489.19 | 1360180.69 | 1068609.83 | 1097633.72 | 1344729.34 | 1231466.81 | 1314424.50 | 1255785.44 | |
| Ala-Pro | 420056.50 | 497840.08 | 23317.90 | 504827.72 | 28887.00 | 29659.75 | 27107.50 | 448128.33 | 29990.14 | |
| Ala-Ser | 76781.61 | 79649.62 | 77908.09 | 98342.05 | 94752.96 | 82181.34 | 91501.83 | 79922.96 | 89229.94 | |
| Aloesin | 114020.90 | 97397.83 | 89574.89 | 100261.71 | 116638.79 | 121818.63 | 131300.80 | 102156.20 | 100044.58 | |
| alpha-D-Glucosamine 1-phosphate | 79584.50 | 69807.96 | 39857.56 | 96832.36 | 107419.25 | 107935.50 | 117657.75 | 88731.04 | 107503.18 | |
| alpha-N-Phenylacetyl-L-glutamine | 181183.41 | 141223.75 | 170416.93 | 142539.52 | 167141.98 | 140011.72 | 163950.78 | 166654.93 | 125267.54 | |
| AMP | 5667009.25 | 6180138.12 | 4959106.88 | 6472194.75 | 5313025.25 | 4726795.88 | 5263560.12 | 6534829.00 | 5283215.50 | |
| Amurensine | 211181.66 | 132149.71 | 191706.73 | 181689.96 | 189487.57 | 115169.59 | 179390.28 | 98030.23 | 174730.84 | |
| ancymidol | 373987.53 | 358784.08 | 362375.42 | 362822.94 | 399946.16 | 375598.86 | 357057.15 | 369192.67 | 373502.95 | |
| Anthocyanin 3^-O-beta-D-glucoside | 89387.88 | 62015.38 | 67708.01 | 93768.42 | 62403.38 | 62302.10 | 60558.04 | 92067.56 | 58034.08 | |
| Apiole | 310472.50 | 303017.66 | 320792.14 | 342471.91 | 328340.75 | 319473.25 | 323413.75 | 380773.20 | 304277.91 | |
| Arg-Asp-Asp-Gly | 97220.98 | 88493.31 | 83209.42 | 104872.19 | 121778.85 | 94439.70 | 105551.94 | 110926.99 | 90673.65 | |
| (-)-Argemonine | 56167.67 | - | 42997.23 | 112468.79 | 58524.25 | - | 93816.00 | 55424.64 | 72788.85 | |
| Arg-Lys-Pro-His | 108104.73 | 112705.59 | 102982.51 | 159124.95 | 133419.01 | 116897.21 | 140032.16 | 141630.76 | 110765.22 | |
| Arg-Phe-Phe-Arg | 100178.09 | 84795.87 | 86777.47 | 103575.39 | 179596.25 | 150799.82 | 175922.68 | 88079.54 | 144665.03 | |
| Asn-Asp | 108445.96 | 101050.61 | 72007.42 | 109561.25 | 81413.41 | 83178.89 | 83696.61 | 105471.57 | 83599.10 | |
| Asn-Cys-Cys | 237953.53 | 223920.70 | 200301.09 | 188525.58 | 220565.57 | 225306.57 | 238870.91 | 184856.58 | 228632.51 | |
| Asn-Glu-Ile-Pro | 117313.92 | 134104.47 | 125186.49 | 142895.73 | 144319.02 | 115097.97 | 152379.57 | 152970.19 | 135922.76 | |
| Asn-Gly-Pro-Pro | 181404.25 | - | - | 256270.32 | - | - | - | 215031.61 | - | |
| Asn-Leu-Pro-Pro | 135538.25 | - | - | 201767.42 | - | - | - | 171603.59 | - | |
| Asn-Pro | 768754.77 | 760101.14 | 719398.09 | 834250.92 | 793793.98 | 719511.36 | 830717.48 | 815809.91 | 718811.09 | |
| Asn-Val-Asn-Asn | 9539917.88 | 7171969.50 | 8616788.12 | 11128814.75 | 11478241.75 | 6766052.75 | 10022784.62 | 8937063.75 | 9708624.00 | |
| Asp-Arg | 80920.25 | 86523.14 | 94885.64 | 94377.78 | 81297.74 | 112133.29 | 81647.84 | 87760.48 | 86455.09 | |
| Aspartyl-L-proline | 2914022.25 | 1163151.19 | 60482.95 | 2374426.56 | 161423.00 | 163835.25 | 184200.50 | 2260299.06 | 184610.84 | |
| Aspartylysine | 172337.25 | 141395.62 | 148934.53 | 224422.76 | 152409.45 | 159911.52 | 151517.62 | 205784.32 | 145966.17 | |
| Asp-Cys-Cys-Ser | 3137130.75 | 949336.36 | 1134770.22 | 5797186.50 | 4094068.25 | 819282.50 | 3939465.50 | 3471590.50 | 2835567.36 | |
| Asp-Gly-Arg | 207208.97 | 185998.27 | 202730.58 | 198960.42 | 212497.60 | 206770.17 | 184223.81 | 192418.85 | 179727.26 | |
| Asp-Leu-Lys-Asp | 125352.27 | 97886.27 | 106465.57 | 116842.33 | 119425.70 | 112348.41 | 119160.11 | 135029.76 | 113599.49 | |
| Asp-Lys-Lys-Tyr | 95864.75 | 91453.66 | 102826.95 | 89639.94 | 97120.25 | 93508.75 | 96289.00 | 89108.49 | 91017.14 | |
| Asp-Thr-Cys-Cys | 116873.00 | 86143.00 | 59692.22 | 158053.90 | 89016.75 | 79007.50 | 110161.00 | 143659.10 | 94681.85 | |
| Asp-Val-Pro-Ser | 453716.09 | 408676.69 | 308428.52 | 364766.50 | 216170.30 | 397177.28 | 311757.66 | 408997.39 | 293923.59 | |
| ATP | 1321537.00 | 1105824.88 | 1181610.41 | 2513924.59 | 1975475.00 | 1782982.00 | 2605573.00 | 5022212.22 | 1700935.19 | |
| beta-Citryl-L-glutamic acid | 67403.93 | 65518.43 | 64262.72 | 105696.55 | 134004.35 | 83423.47 | 124119.21 | 133770.86 | 92936.97 | |
| betaine aldehyde hydrate | 40023.23 | 40828.27 | 37465.20 | 58804.09 | 38612.89 | 85575.85 | 55277.00 | 47973.70 | 39921.30 | |
| Camptothecin | 239470.05 | 215406.54 | 211810.70 | 255232.36 | 287761.32 | 223134.94 | 217870.96 | 282281.17 | 210938.27 | |
| Capryloylglycine | 194644.25 | 193654.33 | 207110.24 | 188991.38 | 188802.00 | 223776.00 | 211501.75 | 178944.59 | 186615.43 | |
| Cassyfiline | 667228.45 | 488267.59 | 669348.84 | 859364.70 | 797721.48 | 371992.29 | 748140.95 | 406485.93 | 765741.08 | |
| Cer(d40:2) | 616728.75 | 651510.27 | 718420.38 | 500891.41 | 622447.75 | 590225.75 | 553403.75 | 436446.43 | 551510.34 | |
| Cholate | 143557.75 | 126541.63 | 128237.72 | 176954.08 | 124262.00 | 85597.75 | 119911.25 | 150498.82 | 109316.82 | |
| Cholesta-5,7-dien-3beta-ol | 205574.50 | 193857.31 | 201463.80 | 209291.03 | 208235.50 | 204720.25 | 199978.25 | 174817.17 | 219147.35 | |
| Cholesterolsulfate | 846975.25 | 841934.69 | 799272.91 | 825942.58 | 877518.00 | 817085.75 | 819463.75 | 746181.09 | 787076.53 | |
| Choline | 6473052.75 | 6179713.50 | 7309722.38 | 8474509.50 | 8701395.50 | 7339473.50 | 9006557.00 | 6360395.50 | 8998973.88 | |
| Choline phosphate | 16831402.25 | 13218386.75 | 41087169.00 | 17146320.00 | 10739333.75 | 11221424.25 | 10599012.75 | 15411221.25 | 13523868.00 | |
| cis-Aconitate | 491357.26 | 453150.22 | 459107.60 | 549587.02 | 568890.66 | 470937.91 | 490663.70 | 486545.46 | 501531.66 | |
| Citrate | 5512462.50 | 4687480.62 | 4822803.50 | 7556034.38 | 6566885.12 | 5873910.75 | 6759178.12 | 7081048.12 | 5804409.75 | |
| Clavulanic acid | 159283.75 | 171000.00 | 201591.36 | 143797.67 | 170450.25 | 151003.50 | 148863.50 | 120529.52 | 161042.75 | |
| CMP | 45791.00 | 43923.32 | 109048.27 | 59445.23 | 42859.50 | 34407.00 | 34550.50 | 59974.50 | 39376.33 | |
| CMP-2-aminoethylphosphonate | 780945.59 | 782870.67 | 749016.44 | 834754.80 | 831987.19 | 781267.30 | 763354.00 | 761882.30 | 747597.98 | |
| CMP-N-trimethyl-2-aminoethylphosphonate | 2544066.75 | 2459397.44 | 2566612.06 | 2644431.88 | 2700778.00 | 2454687.50 | 2427193.50 | 2370056.97 | 2483279.81 | |
| Convicine | 136027.53 | 126291.10 | 114551.55 | 185452.81 | 197926.28 | 136855.70 | 178859.66 | 172313.52 | 149646.25 | |
| Corydaline | 13051498.00 | 7318970.50 | 10670463.88 | 21241593.00 | 16876516.00 | 5594746.88 | 15004067.25 | 15761064.00 | 13075909.00 | |
| Creatine | 272350664.00 | 290254924.00 | 268442600.00 | 305624192.00 | 264524688.00 | 272339588.00 | 294018328.00 | 278378220.00 | 295602968.00 | |
| Creatinine | 414711.30 | 448179.03 | 415555.87 | 414670.68 | 396686.19 | 472571.54 | 437740.35 | 361643.13 | 465543.61 | |
| CTAB | 111512.87 | 110799.00 | 105619.11 | 105434.63 | 105721.73 | 96752.58 | 106305.10 | 98906.73 | 101572.01 | |
| Cys-Gly | 69220.96 | 60270.57 | 61510.97 | 71691.83 | 79250.02 | 66752.89 | 61790.91 | 81098.22 | 55890.27 | |
| Cys-Gly-Pro | 1333627.12 | 1461453.92 | 1367238.31 | 1255486.69 | 1536969.53 | 1600843.88 | 1511022.88 | 1529739.34 | 1492738.25 | |
| Cys-Leu-Cys-Tyr | 166319.77 | 154924.75 | 158229.12 | 181736.14 | 169094.51 | 163617.72 | 172391.89 | 167804.90 | 166204.80 | |
| Cys-Phe-Gly-Gly | 644430.55 | 619500.60 | 490212.94 | 612327.54 | 630348.78 | 600817.02 | 619850.40 | 656175.34 | 579260.05 | |
| Cytidine | 38945.50 | 130332.87 | 64923.36 | 66998.52 | 100513.75 | 101573.50 | 123908.50 | 76112.09 | 121768.92 | |
| D-4^-Phosphopantothenate | 149298.00 | 142247.12 | 59748.90 | 211667.96 | 91446.25 | 67290.25 | 80179.25 | 178860.28 | 72756.80 | |
| D-Arabinonate | 839406.25 | 774678.03 | 794616.48 | 835489.42 | 783556.75 | 781578.75 | 784403.50 | 622748.70 | 785595.97 | |
| deacetylcolchicine | 406445.75 | 326918.70 | 358929.52 | 480656.96 | 486928.00 | 377267.25 | 455944.25 | 414202.57 | 407126.70 | |
| Decanoyl-CoA | 265438.00 | 228841.85 | 200249.96 | 273179.70 | 322049.75 | 242008.75 | 209733.00 | 333048.66 | 194367.72 | |
| D-Erythrose 4-phosphate | 33417.39 | 35483.21 | 47924.11 | 74201.46 | 75288.31 | 92899.83 | 131382.34 | 94919.30 | 99041.82 | |
| D-Fructose | 1896959.34 | 1560432.94 | 1859455.44 | 2290757.53 | 2129112.66 | 1583929.97 | 2025370.47 | 1669080.31 | 1888103.94 | |
| D-Fructose 1,6-bisphosphate | 74546.75 | 69474.68 | 67767.79 | 146989.53 | 142018.25 | 101317.50 | 162628.25 | 244924.74 | 110745.75 | |
| D-Fructose 6-phosphate | 393983.00 | 435217.41 | 341869.78 | 461112.01 | 337205.00 | 330302.75 | 630206.50 | 581105.50 | 351169.52 | |
| D-Galactonate | 4016934.50 | 3510002.44 | 3811301.31 | 5155761.88 | 4947731.75 | 3861767.00 | 5315704.25 | 6297295.50 | 4634367.19 | |
| D-Galacturonate | 578617.43 | 527578.89 | 549704.79 | 779881.36 | 759741.84 | 534932.20 | 797403.28 | 641292.31 | 666336.14 | |
| D-Gluconic acid | 13018067.00 | 12796495.50 | 13160524.25 | 13589564.75 | 13241581.75 | 13272685.50 | 13683419.25 | 12287413.50 | 12746512.25 | |
| D-Glucono-1,5-lactone | 4165547.94 | 4119994.31 | 4303643.81 | 4037088.69 | 4055004.50 | 4222185.31 | 4181840.69 | 3493859.69 | 3956071.56 | |
| D-Glucosamine | 163957.93 | 197234.83 | 193772.96 | 210149.64 | 201948.93 | 197165.24 | 215259.38 | 190182.85 | 198190.40 | |
| D-Glucose | 11059150.25 | 11580024.00 | 11232748.50 | 12646081.25 | 12160487.50 | 11574654.50 | 12364851.75 | 11063130.25 | 11297971.25 | |
| D-Glucose 6-phosphate | 2583618.50 | 2339558.00 | 2252739.34 | 3012853.88 | 2547349.00 | 2244579.25 | 2170459.50 | 3066833.06 | 1862598.28 | |
| D-Glycerate | 78970.61 | 58105.76 | 68415.04 | 75256.43 | 64769.77 | 68009.85 | 69858.32 | 65256.38 | 61163.64 | |
| Diethanolamine | 129972.76 | 126380.50 | 120491.83 | 143740.39 | 115048.41 | 123100.71 | 143739.16 | 124942.16 | 107884.64 | |
| dihydrothymidine | 471584.25 | 551032.60 | 76167.74 | 445693.70 | 93965.75 | 162020.00 | 93990.67 | 437956.01 | 97738.80 | |
| D-Mannitol 1-phosphate | 2347539.50 | 2076998.84 | 2042207.53 | 2789977.00 | 3024793.50 | 2285592.50 | 2763982.50 | 2607431.38 | 2380321.44 | |
| D-Mannonate | 5078385.75 | 5104733.00 | 5106223.00 | 5697505.38 | 5881400.25 | 5236543.25 | 6197378.38 | 5181682.75 | 5618975.38 | |
| D-myo-Inositol 1,2-cyclic phosphate | 431076.26 | 409754.82 | 399092.84 | 467222.44 | 460735.83 | 504740.00 | 475350.86 | 453402.84 | 427560.81 | |
| Docosanoic acid | 90952.48 | 91338.46 | 94976.83 | 79794.56 | 101225.79 | 100065.73 | 91161.33 | 74926.86 | 105147.45 | |
| Dodecanedioic acid | 82050.50 | 79693.56 | 87821.20 | 75087.38 | 84882.50 | 89927.75 | 77729.75 | 84673.80 | 71860.12 | |
| Dodecanoic acid | 565514.00 | 563334.70 | 572454.05 | 490356.26 | 452646.50 | 857318.25 | 531431.25 | 511916.55 | 554529.20 | |
| D-Ribose | 460001.42 | 452861.16 | 497259.95 | 384558.33 | 427685.59 | 477258.25 | 439999.50 | 346183.89 | 437394.63 | |
| D-Ribose 5-phosphate | 884810.45 | 886023.00 | 784840.77 | 859006.67 | 954401.88 | 914420.19 | 921101.97 | 914215.38 | 874055.58 | |
| D-Sedoheptulose 7-phosphate | 2815810.88 | 2388512.06 | 1827807.66 | 3240172.19 | 1170851.81 | 948465.53 | 795164.14 | 2960731.94 | 824449.52 | |
| Ectoine | 272013.94 | 251047.96 | 208622.38 | 200431.03 | 212190.94 | 254246.93 | 196753.31 | 144247.45 | 215635.91 | |
| Elaidiccarnitine | 3331052.50 | 3126628.88 | 3247853.75 | 3341747.38 | 3680371.50 | 3752325.50 | 3561046.75 | 3022421.00 | 3580780.94 | |
| Ergothioneine | 5545351.88 | 3831852.00 | 6872777.00 | 10472681.75 | 8971650.75 | 4751668.62 | 6410942.62 | 16146813.50 | 5507823.76 | |
| Erythronicacid | 1065321.28 | 922811.50 | 988478.33 | 1153330.52 | 1197328.72 | 1109665.77 | 1180417.75 | 966166.94 | 1095831.00 | |
| Ethanolamine phosphate | 305160.74 | 176799.66 | 284299.07 | 287173.73 | 177204.80 | 166490.75 | 181095.41 | 261173.50 | 165684.45 | |
| Ethyl 3-oxobutanoate | 439978.69 | 447431.65 | 450179.96 | 519543.33 | 446010.33 | 423725.77 | 414916.37 | 557276.73 | 417584.73 | |
| FA (18:1) | 250177.99 | 264697.48 | 274458.30 | 316560.86 | 272743.32 | 264040.88 | 291065.32 | 319678.33 | 257559.22 | |
| [FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid | 30585.34 | 39537.37 | 42859.81 | 39311.95 | 29897.43 | 41986.51 | 45294.26 | 34912.21 | 30921.69 | |
| [FA (5:2)] 2,4-pentadienoic acid | 263032.91 | 245333.43 | 255126.27 | 251754.25 | 265613.99 | 279881.96 | 273010.09 | 253413.61 | 256874.74 | |
| FA dimethyl(16:0) | 8609133.75 | 7832346.88 | 15016629.25 | 10317114.00 | 13831176.50 | 13775038.75 | 14805192.75 | 8516769.25 | 14859944.25 | |
| Fagomine | 242030.00 | 224984.00 | 247795.62 | 222598.10 | 254161.25 | 250561.75 | 260885.50 | 206811.48 | 231642.86 | |
| FA methyl(14:0) | 399899.25 | 331135.48 | 540410.03 | 476906.88 | 535552.50 | 453997.00 | 598916.50 | 345336.57 | 553780.23 | |
| FA methyl(15:0) tridecanedioic acid | 1865399.58 | 1718108.91 | 748651.41 | 1103719.45 | 1005927.75 | 1896728.31 | 1301097.84 | 366136.54 | 276077.63 | |
| FA methyl(18:0) | 98195.75 | 75031.12 | 161566.84 | 89949.30 | 164838.00 | 166686.00 | 154805.00 | 84119.58 | 174908.91 | |
| FA oxo(8:0) oxo-octanoic acid | 66855.54 | 67996.14 | 78666.66 | 65132.02 | 74544.45 | 93337.39 | 73654.73 | 69334.42 | 75212.41 | |
| [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid | 826857.25 | 768674.61 | 858463.72 | 908063.19 | 824066.25 | 874831.50 | 842602.50 | 745141.81 | 818496.00 | |
| [FA trimethyl(13:0)] 4,8,12-trimethyl-tridecanoic acid | 7007419.88 | 5841852.50 | 11008535.50 | 8398504.50 | 9848685.75 | 9738494.75 | 10522957.00 | 7658556.75 | 11364199.25 | |
| flaviolin | 68520.60 | 70945.20 | 80361.86 | 79181.80 | 68680.46 | 71696.82 | 63526.47 | 60635.90 | 67106.60 | |
| gamma-Glutamyl-Se-methylselenocysteine | 910726.97 | 857954.34 | 634044.81 | 817934.34 | 355937.66 | 337805.89 | 269608.35 | 812193.18 | 281314.28 | |
| gamma-L-Glutamyl-L-cysteine | 130302.92 | 150764.88 | 114272.18 | 147464.82 | 268945.39 | 208010.03 | 244427.75 | 151598.94 | 186896.84 | |
| gamma-L-Glutamyl-L-cysteinyl-beta-alanine | 109997.96 | 107139.83 | 94788.05 | 140059.63 | 145725.04 | 81378.10 | 126332.26 | 130343.40 | 114117.83 | |
| GDP-3,6-dideoxy-D-galactose | 450722.94 | 261731.69 | 238281.66 | 346061.58 | 306080.17 | 439881.77 | 372900.92 | 299472.08 | 319065.25 | |
| GDP-L-fucose | 46919.47 | 42693.77 | 45269.57 | 75165.59 | 67107.05 | 52499.07 | 72751.19 | 79893.17 | 54953.93 | |
| GDP-mannose | 133692.93 | 111838.11 | 111333.19 | 201834.02 | 171574.46 | 133117.86 | 180787.48 | 211147.46 | 136613.07 | |
| Gibberellin A20 | 181369.54 | 191815.04 | 201718.75 | 195866.95 | 201747.22 | 209496.92 | 202704.72 | 150255.50 | 197498.59 | |
| Gln-Leu-Lys-Tyr | 533365.20 | 540182.12 | 511332.18 | 551189.47 | 565787.91 | 537125.48 | 540153.02 | 515793.26 | 528197.72 | |
| Glu-Ala-Ser | 77557.39 | 69511.47 | 63646.50 | 90024.27 | 78120.68 | 73243.71 | 77781.73 | 85108.72 | 71928.79 | |
| Glu-Cys-Cys | 138885.00 | 31260.92 | 56915.16 | 192468.79 | 137373.75 | 32082.00 | 112287.00 | 69564.79 | 115658.08 | |
| Glu-Glu-Pro | 79162.25 | 71444.75 | - | 129120.14 | - | - | - | 117200.71 | - | |
| Glu-Met-Ser | 206607.70 | 185128.86 | 168934.82 | 214094.12 | 226398.62 | 191969.34 | 179498.16 | 228949.84 | 169700.27 | |
| Glutathione | 62322092.00 | 53310510.00 | 57245670.00 | 75980482.00 | 78942794.00 | 56144164.00 | 66828279.00 | 68993505.00 | 59238863.00 | |
| Glutathione disulfide | 9096960.12 | 10153720.00 | 10914146.25 | 12460416.00 | 10102598.38 | 15236973.25 | 16920404.25 | 11443340.12 | 16048366.00 | |
| Glu-Thr | 687793.84 | 441999.06 | 369661.23 | 774440.86 | 464893.81 | 394740.76 | 453474.38 | 669136.23 | 424328.09 | |
| Glycerone phosphate | 177585.28 | 116523.03 | 224625.45 | 188144.44 | 793480.34 | 488152.95 | 823864.09 | 121546.07 | 561990.23 | |
| Glycerophosphoglycerol | 364116.72 | 376354.13 | 325334.85 | 457429.91 | 390197.98 | 318014.16 | 410534.47 | 460869.22 | 350081.06 | |
| Glycylproline | 21791.33 | 361226.10 | - | 21731.01 | - | 16232.00 | - | - | - | |
| Guanidinoacetate | 151809.42 | 141347.27 | 156147.92 | 149381.12 | 163851.70 | 167707.01 | 151827.97 | 159871.29 | 171733.21 | |
| Gyromitrin | 1650915.50 | 1361292.94 | 1571401.84 | 2067245.84 | 1810751.75 | 1273978.00 | 1597970.00 | 1591973.03 | 1636947.53 | |
| Heptadecanoylcarnitine | 759908.34 | 739652.19 | 872327.09 | 636050.98 | 689568.31 | 842312.14 | 742025.36 | 656161.89 | 708295.03 | |
| Hercynine | 13090803.25 | 13723793.50 | 13611686.75 | 7548758.88 | 10835894.50 | 11420406.50 | 9029535.25 | 8091619.84 | 10759373.50 | |
| Hippurate | 387129.86 | 344339.90 | 368280.79 | 417995.32 | 372618.92 | 292153.24 | 382458.95 | 384324.33 | 359040.63 | |
| Hydantoin-5-propionate | 172655.42 | 124727.86 | 128260.49 | 184375.08 | 137170.44 | 129520.30 | 133928.49 | 171082.76 | 128297.64 | |
| Hydroxybutyrylcarnitine | 383985.00 | 405646.80 | 393107.66 | 402190.85 | 367676.25 | 383491.25 | 386960.75 | 357367.00 | 408601.56 | |
| Hypaphorine | 13529878.00 | 13405793.50 | 13416037.25 | 15654358.50 | 13479964.25 | 13254155.00 | 14659292.25 | 13245086.75 | 13823634.25 | |
| Hypoxanthine | 79328888.00 | 78587593.00 | 79559598.00 | 98718548.00 | 95162746.00 | 95916134.00 | 98473914.00 | 100683248.00 | 98973922.00 | |
| Ile-Ala | 1719482.53 | 1777502.22 | 1736657.28 | 1593593.81 | 1639251.47 | 1775249.44 | 1642128.62 | 1471156.72 | 1599783.69 | |
| Ile-Cys-Phe | 121990.50 | 114394.56 | 95567.76 | 141869.69 | 124000.87 | 88236.53 | 129224.99 | 118088.42 | 111131.22 | |
| Ile-Lys-Pro | 2413082.75 | 2454379.56 | 2343266.22 | 2475036.62 | 2506199.75 | 2417235.75 | 2308462.50 | 2302327.16 | 2419517.19 | |
| IMP | 6166972.50 | 5883833.38 | 5653963.38 | 6260089.12 | 5618242.75 | 5221730.00 | 5312763.88 | 5923984.75 | 4868862.81 | |
| Indole-3-acetamide | 652097.82 | 606338.78 | 564585.50 | 678252.14 | 482463.43 | 672242.48 | 751824.89 | 231737.56 | 1069304.88 | |
| Indoleacrylicacid | 1054904.75 | 1127590.59 | 1117894.53 | 1017428.73 | 1011450.25 | 1183211.75 | 1054994.75 | 1072054.08 | 1047893.33 | |
| Inosine | 549155.98 | 515130.11 | 531331.98 | 652056.61 | 806561.75 | 617236.55 | 716532.91 | 526061.20 | 705145.55 | |
| Kievitone hydrate | 898651.85 | 885477.48 | 1015739.44 | 1291806.66 | 1198088.72 | 982631.97 | 1169328.28 | 1155276.97 | 1116591.94 | |
| L-Alanine | 4031208.75 | 3536349.44 | 3296676.62 | 4360459.69 | 3026283.25 | 3160305.00 | 3273998.50 | 4129979.94 | 3187956.62 | |
| L-Arginine | 28548204.00 | 21791088.50 | 24959089.50 | 40422156.00 | 35728021.00 | 18869494.50 | 31500422.50 | 30192085.00 | 28218543.00 | |
| L-Asparagine | 17061810.25 | 16303500.25 | 16022995.50 | 19693854.50 | 18900996.00 | 15176163.50 | 19076108.50 | 17162273.00 | 17424592.00 | |
| L-Aspartate | 21254890.00 | 20100019.50 | 20624162.50 | 29577758.00 | 27733472.00 | 16946105.75 | 26425846.00 | 21134947.50 | 23551666.50 | |
| L-beta-aspartyl-L-alanine | 151679.50 | 153097.98 | 143077.84 | 146851.86 | 150159.75 | 156990.00 | 142404.00 | 145480.40 | 139881.30 | |
| L-beta-aspartyl-L-asparticacid | 193564.75 | 195979.87 | 149103.43 | 199733.95 | 174433.25 | 149639.00 | 161738.25 | 190190.24 | 141926.66 | |
| L-beta-aspartyl-L-glutamicacid | 402824.00 | 220486.00 | 128192.99 | 443504.81 | 176923.00 | 170648.25 | 170930.50 | 367316.34 | 178572.84 | |
| L-beta-aspartyl-L-leucine | 172188.71 | 160956.15 | 141673.98 | 208586.22 | 182798.85 | 137267.70 | 175358.71 | 194396.05 | 164560.58 | |
| L-beta-aspartyl-L-serine | 99662.28 | 106051.78 | 93497.94 | 109887.31 | 109106.37 | 98579.35 | 104017.61 | 114384.13 | 102965.88 | |
| L-beta-aspartyl-L-threonine | 103262.50 | 53825.77 | 48553.48 | 103990.86 | 70275.75 | 57095.25 | 73963.75 | 103734.50 | 69596.22 | |
| L-Carnitine | 17047177.25 | 17723057.00 | 17175079.75 | 18079550.00 | 16265270.00 | 16639159.25 | 16179163.00 | 15129252.75 | 17429802.00 | |
| L-Citrulline | 8414145.50 | 8392384.38 | 8690132.88 | 7936410.62 | 8036952.00 | 9023445.50 | 8378269.75 | 7205604.88 | 8191841.12 | |
| L-Cystine | 2577006.25 | 1840738.81 | 2896202.19 | 3993773.06 | 4028043.75 | 1019841.00 | 3537412.75 | 2322273.53 | 3866050.72 | |
| L-gamma-glutamyl-L-isoleucine | 235756.92 | 207849.12 | 188970.68 | 227608.55 | 213118.56 | 199878.79 | 204425.33 | 239950.08 | 194752.71 | |
| L-Glutamate | 41975181.50 | 32787539.50 | 36032004.00 | 47504165.00 | 48601857.00 | 35129647.00 | 48954795.00 | 37021659.50 | 46163337.00 | |
| L-Glutamate 5-semialdehyde | 52142464.00 | 42567940.00 | 49838661.00 | 66874603.00 | 63528242.00 | 45632184.00 | 58696685.00 | 52481027.00 | 58663733.00 | |
| L-Glutamine | 294012404.00 | 239358344.00 | 267443092.00 | 358700776.00 | 337145112.00 | 239708588.00 | 293128252.00 | 280963084.00 | 300121592.00 | |
| L-Histidine | 31853642.00 | 26469996.50 | 27197341.50 | 40421391.00 | 33609794.00 | 25172245.00 | 33518328.00 | 34453471.50 | 31303861.50 | |
| L-Homocitrulline | 204232.39 | 191737.95 | 181828.31 | 207452.21 | 208375.67 | 199603.34 | 195634.65 | 186812.71 | 190988.86 | |
| Linoelaidylcarnitine | 1201722.75 | 1243472.47 | 1511400.94 | 1065090.03 | 1356484.50 | 1570084.00 | 1438081.00 | 1091282.97 | 1278660.47 | |
| L-Isoleucine | 55911932.00 | 43344062.00 | 44452379.00 | 61613312.00 | 56487982.00 | 38251864.00 | 50904140.00 | 57278823.00 | 52750391.00 | |
| L-isoleucyl-L-proline | 1078326.00 | 1049208.27 | 1102340.22 | 1135756.66 | 1101110.50 | 1146678.75 | 1112147.50 | 1045313.56 | 1052189.16 | |
| L-Leucine | 49683735.00 | 45983914.00 | 50835244.00 | 66129844.00 | 61065715.00 | 43302594.00 | 57663722.00 | 49265964.00 | 50471089.00 | |
| L-Lysine | 5350606.06 | 4371907.12 | 3394071.44 | 6314666.25 | 4967378.38 | 2776931.94 | 4917398.94 | 4927448.06 | 4135068.44 | |
| L-Methionine | 25838514.25 | 25087877.00 | 25499751.50 | 32637965.00 | 28948911.00 | 21115173.50 | 27118569.00 | 24849223.00 | 26327857.00 | |
| L-Methionine S-oxide | 174693.93 | 123737.53 | 147457.79 | 159971.63 | 184633.41 | 113152.02 | 202292.40 | 132899.90 | 153024.77 | |
| L-Ornithine | 8774408.75 | 8557140.75 | 8195041.00 | 10691838.50 | 9435967.50 | 8318032.25 | 9674372.38 | 9220012.62 | 8783659.00 | |
| L-Phenylalanine | 11816504.50 | 10095522.50 | 8547813.50 | 13044356.25 | 8930859.50 | 9205795.00 | 9275998.25 | 13218311.00 | 8811820.25 | |
| L-Pipecolate | 19300036.75 | 7038925.00 | 1717380.38 | 16785261.25 | 3315447.25 | 3240848.50 | 3480427.00 | 14467492.50 | 3807752.56 | |
| L-Proline | 90510925.00 | 76544318.00 | 75340806.00 | 91594250.00 | 79814050.00 | 68451108.00 | 72927248.00 | 73256604.00 | 72359449.00 | |
| L-Serine | 10079510.50 | 9280258.50 | 9885015.75 | 11470913.75 | 10865558.00 | 9131066.25 | 10639433.50 | 9909566.00 | 10835607.50 | |
| L-Threonine | 12675203.75 | 9892949.50 | 10045251.75 | 16274703.50 | 13467161.00 | 9451946.00 | 12296565.50 | 13181861.75 | 12556168.25 | |
| L-Tryptophan | 8925778.50 | 6530597.25 | 6534664.75 | 9967210.75 | 7248381.25 | 5691628.25 | 6998526.62 | 8945656.25 | 6575043.88 | |
| L-Tyrosine | 25646481.50 | 23158053.00 | 21478086.50 | 40659071.00 | 34485338.50 | 19795839.00 | 36379461.50 | 32549000.00 | 29688326.50 | |
| L-Valine | 28513197.00 | 21798575.50 | 21545645.00 | 33057521.00 | 24882265.00 | 18660039.50 | 23174363.00 | 27056867.50 | 22184749.00 | |
| Lys-Met-Phe | 95812.00 | 101607.55 | 99935.90 | 102826.47 | 104136.00 | 87302.75 | 97250.50 | 90129.10 | 94708.25 | |
| LysoPC(16:0) | 9918654.25 | 6158948.12 | 8215561.50 | 9859236.25 | 9437234.50 | 4882221.62 | 7179007.50 | 5832403.25 | 6970613.50 | |
| [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine | 801737.97 | 871723.09 | 805221.22 | 909485.23 | 803673.28 | 805376.58 | 762351.47 | 807155.89 | 855529.09 | |
| LysoPC(18:0) | 10644869.62 | 6912164.75 | 10974196.38 | 10123251.25 | 10073145.00 | 5863603.50 | 7834208.88 | 6138556.50 | 7498308.62 | |
| LysoPC(18:1) | 2506830.16 | 1604346.62 | 2069996.44 | 2603616.69 | 2525556.38 | 1636562.94 | 2157716.16 | 1588228.19 | 1854575.59 | |
| LysoPC(20:4) | 260040.83 | 237250.54 | 271564.17 | 351392.00 | 287056.94 | 324851.12 | 319556.75 | 233849.70 | 256491.81 | |
| LysoPC(O-16:1) | 890066.31 | 804830.08 | 887738.67 | 984692.50 | 965859.97 | 872144.31 | 896631.09 | 770929.08 | 909316.00 | |
| LysoPC(O-18:2) | 370731.95 | 398749.38 | 396749.78 | 371485.80 | 392585.38 | 388934.16 | 404480.30 | 335405.52 | 366458.41 | |
| LysoPE(18:0) | 534239.59 | 335186.31 | 485873.42 | 626970.49 | 523993.35 | 287081.74 | 410507.20 | 305721.94 | 436655.84 | |
| LysoPE(18:1) | 997405.59 | 830985.47 | 960466.70 | 1080120.20 | 991664.19 | 896302.77 | 983084.58 | 844645.91 | 887085.64 | |
| LysoPE(18:2) | 81353.06 | 62068.49 | 65100.79 | 97353.50 | 80934.80 | 85608.20 | 82075.46 | 75500.12 | 73951.15 | |
| LysoPE(20:0) | 1000701.73 | 656251.16 | 924718.91 | 1031450.61 | 988647.02 | 565402.34 | 697461.79 | 563947.62 | 727161.47 | |
| LysoPE(20:4) | 322087.25 | 292148.87 | 352307.52 | 368918.04 | 324675.50 | 428934.00 | 420826.50 | 328221.75 | 407278.18 | |
| Lys-Pro | 177179.25 | 150719.72 | - | 140018.09 | - | - | - | 149442.27 | - | |
| Lys-Ser | 45790.50 | 191091.17 | 38649.99 | 53498.57 | 35442.00 | 34584.75 | 36158.00 | 49165.19 | 29321.94 | |
| Lys-Thr-Ser | 260664.29 | 255670.77 | 260666.05 | 280463.50 | 275142.54 | 250143.72 | 259715.77 | 244670.68 | 220785.88 | |
| Lys-Thr-Thr | 192688.50 | 201349.27 | 206239.42 | 217055.01 | 216799.75 | 190736.75 | 220248.25 | 204921.38 | 184891.83 | |
| Lys-Val | 462253.19 | 472884.27 | 449517.36 | 539752.76 | 496856.85 | 471512.51 | 525943.98 | 480181.91 | 501550.92 | |
| Mannitol | 40044563.00 | 38828893.00 | 39952031.00 | 38750508.00 | 38010732.00 | 41430758.00 | 40257073.00 | 35792703.00 | 40779483.00 | |
| melibionate | 163040.99 | 148012.59 | 144063.05 | 187769.86 | 200008.83 | 157959.68 | 170685.90 | 184430.14 | 164719.08 | |
| Met-Ala-Gly | 1816884.44 | 1670376.47 | 1434408.53 | 1395814.31 | 1459914.47 | 1495387.72 | 1140866.45 | 1169911.00 | 1164038.34 | |
| Met-Cys-Cys | 4118291.44 | 3939233.38 | 3824670.19 | 3206276.69 | 3691039.44 | 3636348.12 | 3270181.56 | 2766314.25 | 3327778.28 | |
| Methacholine | 6366280.12 | 6647402.00 | 7014872.38 | 6637161.25 | 6557732.12 | 6689264.75 | 6663431.88 | 6427260.25 | 6536645.12 | |
| Methyl 2-diazoacetamidohexonate | 4290142.75 | 3719405.38 | 3872128.88 | 4907889.25 | 4876376.12 | 3630018.94 | 3714005.81 | 4773793.81 | 3437916.75 | |
| Met-Met-Met | 509095.75 | 438678.38 | 435075.32 | 593880.44 | 598998.75 | 417540.25 | 468215.75 | 599843.67 | 379550.21 | |
| Monomethyl sulfate | 167950.77 | 175150.86 | 169885.91 | 122292.88 | 134544.98 | 156020.27 | 152049.62 | 115576.59 | 154033.26 | |
| Morphinone | 210157.20 | 132672.13 | 208362.25 | 248504.82 | 182807.03 | 96095.82 | 167377.45 | 161748.47 | 178012.64 | |
| Muramic acid | 1687059.66 | 1637732.97 | 1673399.50 | 1593268.09 | 1761836.12 | 1667846.75 | 1569944.53 | 1615193.19 | 1617819.88 | |
| N2-Acetyl-L-aminoadipate | 2301853.75 | 2256122.81 | 2424517.19 | 2205185.28 | 2401391.00 | 2455988.75 | 2489280.75 | 2091526.69 | 2325119.94 | |
| N2-(D-1-Carboxyethyl)-L-arginine | 323593.00 | 315770.40 | 248185.51 | 337953.52 | 179456.00 | 180587.25 | 167001.00 | 304162.02 | 187898.92 | |
| N2-(D-1-Carboxyethyl)-L-lysine | 115500.75 | 111619.60 | 118196.88 | 126586.52 | 125358.75 | 126591.00 | 127485.25 | 114354.01 | 126837.74 | |
| N2-Succinyl-L-arginine | - | 109109.68 | - | - | - | - | - | - | - | |
| N-(3-oxooctanoyl)-L-homoserine | 231750.66 | 222463.53 | 208849.46 | 234042.84 | 225685.18 | 229297.09 | 225829.00 | 230188.36 | 235510.63 | |
| N4-(Acetyl-beta-D-glucosaminyl)asparagine | 257751.50 | 242223.16 | 262899.66 | 240280.05 | 256428.25 | 257425.00 | 241596.75 | 215486.45 | 235146.18 | |
| N6-Acetyl-L-lysine | 521798.00 | 515459.62 | 502349.14 | 516838.91 | 514000.50 | 533034.50 | 507572.25 | 451424.95 | 470664.95 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 288307.22 | 295356.14 | 291304.27 | 271809.23 | 280243.21 | 268122.73 | 272514.62 | 265164.86 | 257772.82 | |
| N6-Methyl-L-lysine | 156561.30 | 164374.13 | 144438.73 | 175612.24 | 160326.07 | 142866.89 | 164279.82 | 168155.87 | 149684.08 | |
| N6,N6,N6-Trimethyl-L-lysine | 4673420.75 | 5038420.88 | 4886661.50 | 5183324.00 | 4594249.50 | 4709952.75 | 4660611.75 | 4580352.75 | 4524411.31 | |
| N-Acetyl-D-glucosaminate | 531520.49 | 523323.45 | 552092.47 | 534309.24 | 519439.40 | 540234.88 | 531090.63 | 635434.95 | 503878.33 | |
| N-Acetyl-D-glucosamine 1,6-bisphosphate | 24525.00 | 21447.93 | 21281.27 | 42157.61 | 40597.00 | 28159.50 | 46300.25 | 51365.99 | 33334.33 | |
| N-Acetyl-D-glucosamine 6-phosphate | 214186.03 | 206007.38 | 206200.45 | 251269.94 | 261900.34 | 194476.96 | 214090.12 | 218057.82 | 207200.25 | |
| N-acetyl -D- glucosaminitol | 697765.95 | 672243.28 | 703546.39 | 671870.33 | 696561.36 | 707460.08 | 716479.92 | 605515.48 | 694440.44 | |
| N-Acetyl-L-aspartate | 111995.99 | 95980.72 | 108057.53 | 133566.62 | 126361.12 | 100838.48 | 118107.05 | 110443.27 | 109637.67 | |
| N-Acetyl-L-citrulline | 236658.76 | 284154.73 | 204621.16 | 266160.21 | 276320.76 | 269891.15 | 295983.64 | 173771.37 | 279233.54 | |
| N-Acetyl-L-leucine | 1538019.50 | 1377526.47 | 1542968.25 | 1467605.03 | 1410291.03 | 1505003.47 | 1468594.50 | 1250422.12 | 1378795.47 | |
| N-Acetylmethionine | 104561.00 | 318386.05 | - | 109733.38 | - | - | - | 136369.69 | - | |
| N-Acetylornithine | 517345.03 | 496709.98 | 551475.07 | 546797.19 | 544429.59 | 506925.16 | 535206.83 | 497680.74 | 485243.35 | |
| N-Acetylputrescine | 2090649.03 | 1569473.81 | 1817317.91 | 2521415.00 | 2324353.72 | 1432783.88 | 2248777.09 | 1535916.38 | 2020948.09 | |
| NAD+ | 12732080.50 | 12415132.50 | 12428748.50 | 13324501.75 | 12143949.75 | 11435789.50 | 11895719.00 | 12141158.25 | 11724080.75 | |
| NADP+ | 559486.09 | 453303.26 | 495182.59 | 790037.91 | 732746.30 | 568805.45 | 774329.52 | 907930.53 | 595776.41 | |
| N-Carbamoyl-L-aspartate | 15834780.75 | 98382.26 | 78829.57 | 169565.46 | 125366.75 | 104382.25 | 130084.75 | 161638.78 | 104658.32 | |
| N-Carbamyl-L-glutamate | 255105.05 | 242624.46 | 228844.09 | 291934.30 | 238965.91 | 210655.45 | 224712.94 | 276127.91 | 206617.23 | |
| N-dimethylethanolamine | 67160.18 | 101518.07 | 101980.50 | 93766.49 | 117923.54 | 147165.52 | 103144.05 | 116606.17 | 141599.65 | |
| N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol) | 138766.21 | 128640.60 | 138043.85 | 149749.62 | 131733.66 | 144140.65 | 150409.41 | 136339.12 | 152989.12 | |
| Ne,Ne dimethyllysine | 161921.45 | 195723.18 | 137491.72 | 174623.11 | 151841.35 | 155738.10 | 155069.45 | 151318.12 | 151214.16 | |
| N-Ethylmaleimide | 168111.75 | 176744.54 | 178434.15 | 173047.09 | 157870.85 | 170854.43 | 185371.25 | 142605.95 | 161980.37 | |
| NG,NG-Dimethyl-L-arginine | 92882.50 | 729331.34 | 76409.62 | 78306.18 | 60774.25 | 71814.50 | 71280.50 | 70840.43 | 77707.38 | |
| N-Hydroxy-L-tyrosine | 581862.68 | 524559.57 | 521530.50 | 597583.92 | 706741.72 | 691887.55 | 653975.75 | 650604.38 | 533367.03 | |
| Nicotinamide | 7581993.31 | 4633175.00 | 6411093.62 | 10730802.50 | 9227091.12 | 7758782.12 | 10079912.38 | 7339042.00 | 9435208.12 | |
| Nicotinamide D-ribonucleotide | 533285.20 | 600935.23 | 521737.01 | 582151.94 | 640010.56 | 619349.03 | 624399.56 | 560363.47 | 562246.86 | |
| Nicotinate | 93981.00 | 95681.57 | 115267.24 | 60829.67 | 70937.25 | 110963.50 | 119615.25 | 85227.65 | 101053.41 | |
| Nicotinate D-ribonucleoside | 238365.87 | 228617.27 | 257747.93 | 305000.56 | 341199.56 | 294294.46 | 323900.66 | 247268.93 | 297777.77 | |
| N-(L-Arginino)succinate | 572105.75 | 515225.13 | 484910.90 | 517386.89 | 588906.00 | 558201.50 | 577896.25 | 482106.73 | 535827.88 | |
| N,N-Dihydroxy-L-tyrosine | 111447.53 | 106903.99 | 108948.48 | 102124.29 | 119317.95 | 110984.11 | 92097.50 | 90470.28 | 102992.60 | |
| nonulose 9-phosphate | 83338.75 | 82306.92 | 75812.26 | 100357.36 | 98216.00 | 87039.00 | 98630.00 | 102820.31 | 87027.74 | |
| Norlichexanthone | 160320.30 | 158826.85 | 160129.62 | 197847.28 | 169199.33 | 129976.19 | 186128.34 | 142330.57 | 161575.35 | |
| N(pi)-Methyl-L-histidine | 348767.57 | 313593.45 | 319490.75 | 354436.10 | 312415.41 | 312958.30 | 329125.96 | 295830.62 | 312601.71 | |
| N-stearoyl tyrosine | 344880.17 | 383930.73 | 439049.20 | 349899.00 | 425683.84 | 459545.48 | 353987.48 | 303341.15 | 423309.69 | |
| N-Succinyl-L-glutamate | 53303.00 | 76522.86 | 51963.06 | 135714.20 | 56418.75 | 48212.50 | 56678.25 | 129142.08 | 47482.91 | |
| O-Acetylcarnitine | 21562413.00 | 21740702.00 | 22346799.00 | 21063419.00 | 21619211.00 | 22046433.50 | 22354461.00 | 21395288.50 | 21736845.50 | |
| O-Acetyl-L-homoserine | 486780.25 | 644333.30 | 723785.20 | 948842.86 | 592338.25 | 1113725.75 | 1855305.25 | 871756.91 | 1340738.72 | |
| O-Acetylneuraminic acid | 312394.79 | 318715.95 | 318002.02 | 389923.34 | 364715.70 | 330482.16 | 338908.66 | 283707.18 | 326615.89 | |
| O-Butanoylcarnitine | 383419.42 | 394583.88 | 426612.76 | 408528.37 | 432372.17 | 394573.35 | 410523.41 | 379386.95 | 389687.32 | |
| octulose 8-phosphate | 168328.56 | 161948.84 | 144442.11 | 187963.05 | 174005.73 | 156583.52 | 178425.96 | 172939.04 | 155226.57 | |
| Oleoylcarnitine | 5024631.50 | 5283796.62 | 6337127.25 | 4706492.50 | 5406287.12 | 6255196.00 | 5309605.75 | 4397235.94 | 5345864.62 | |
| O-Palmitoyl-R-carnitine | 2682448.75 | 2720232.81 | 2897422.75 | 2623285.81 | 3246943.50 | 3534545.75 | 3337950.00 | 2612404.81 | 3354444.81 | |
| O-Propanoylcarnitine | 2485033.47 | 2323733.06 | 2404276.66 | 2331927.19 | 2352179.28 | 2424681.62 | 2472720.12 | 2190615.91 | 2310334.31 | |
| Orotate | 69460.50 | 149605.08 | 89079.99 | 217011.57 | 210413.25 | 160301.50 | 210559.25 | 176192.66 | 226388.38 | |
| Orotidine | 759046.50 | 767343.75 | 766377.25 | 818209.73 | 818418.25 | 777146.25 | 824962.50 | 715465.66 | 766545.42 | |
| Orthophosphate | 13639584.75 | 13103069.25 | 12506262.00 | 17422933.50 | 16202258.50 | 13101536.25 | 16894143.75 | 18283252.00 | 15448720.25 | |
| Otonecine | 121564.75 | 121239.20 | 117520.53 | 123739.09 | 118314.25 | 126444.25 | 119351.50 | 111118.05 | 120246.70 | |
| PA(34:1) | 1157703.17 | 1022564.59 | 1055456.41 | 1033243.44 | 1196437.59 | 1045966.02 | 974512.58 | 874795.28 | 925051.30 | |
| PA(34:2) | 833321.88 | 773740.22 | 804874.81 | 786235.80 | 880613.88 | 777939.95 | 723785.50 | 717827.61 | 715627.87 | |
| PA(36:4) | 463900.22 | 444705.08 | 405230.89 | 403722.81 | 472124.71 | 447281.39 | 397137.47 | 400674.09 | 386473.93 | |
| PA(36:5) | 103404.75 | 85565.35 | 93170.09 | 90591.19 | 99728.22 | 95576.81 | 93490.91 | 83045.18 | 84509.62 | |
| PA(38:6) | 189526.17 | 195524.12 | 170053.46 | 194970.55 | 206432.30 | 186499.97 | 180399.87 | 168716.95 | 186309.62 | |
| Pantothenate | 427062.38 | 391429.77 | 427747.69 | 527905.71 | 579466.59 | 378035.60 | 515981.88 | 436129.42 | 481958.10 | |
| PC(30:0) | 2820587.62 | 2657596.06 | 2619158.31 | 2653859.00 | 2453272.00 | 2640953.62 | 2504988.00 | 2623999.31 | 2562975.50 | |
| PC(32:0) | 18070480.50 | 17991632.50 | 17586179.25 | 16227472.25 | 16802485.25 | 15931244.00 | 15558127.00 | 15941042.75 | 15678845.00 | |
| PC(32:1) | 5706993.88 | 5805802.75 | 5151876.25 | 5758763.50 | 5114385.38 | 4857922.62 | 4830793.12 | 5570606.12 | 4764806.50 | |
| PC(34:1) | 79482371.00 | 82977450.00 | 85742742.00 | 83637786.00 | 83007728.00 | 81453572.00 | 77039690.00 | 81064881.00 | 80562122.00 | |
| PC(34:2) | 73357690.00 | 72049108.00 | 76193758.00 | 61249239.00 | 63072827.00 | 71201946.00 | 69156663.00 | 70138566.00 | 70283461.00 | |
| PC(36:1) | 21023990.50 | 20339208.50 | 20340073.00 | 21771989.00 | 20893018.50 | 21201381.00 | 19477353.00 | 19752698.50 | 19051409.00 | |
| PC(36:2) | 32682059.00 | 30908837.50 | 32744548.00 | 32703487.50 | 33348306.50 | 33300359.50 | 31121856.50 | 31486875.00 | 30543238.50 | |
| PC(36:3) | 4362978.00 | 6977811.88 | 8597463.38 | 4845191.56 | 8395353.00 | 4458039.75 | 4038462.50 | 8292061.25 | 8347901.00 | |
| PC(36:4) | 22205631.00 | 21054152.00 | 22017322.00 | 23738215.50 | 22571916.00 | 22373370.50 | 21781559.00 | 21246573.00 | 21195137.00 | |
| PC(38:4) | 11826289.75 | 11233191.00 | 11666943.75 | 11897307.00 | 11917133.50 | 11781071.00 | 10571389.25 | 11153449.75 | 11134003.00 | |
| PC(38:6) | 11720005.25 | 11179633.00 | 11557225.00 | 13052474.25 | 12440378.75 | 12171309.75 | 11295906.25 | 11854192.50 | 11712664.25 | |
| PC(40:5) | 2380011.75 | 2464844.00 | 2301169.38 | 2429315.69 | 2555901.25 | 2538967.50 | 2255610.50 | 2352675.72 | 2417788.44 | |
| PC(40:6) | 3924048.25 | 3858735.75 | 3970119.38 | 4096446.25 | 4062629.75 | 3961648.25 | 3708242.00 | 3871126.50 | 3727280.12 | |
| PC(40:7) | 950353.61 | 904481.73 | 951898.42 | 1046544.86 | 1024046.75 | 929055.12 | 952850.05 | 959962.56 | 995161.22 | |
| [PE(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glyce... | 443168.48 | 401158.28 | 374173.16 | 465256.91 | 447962.13 | 429435.41 | 396170.06 | 471338.46 | 392625.18 | |
| PE(20:2(11Z,14Z)/P-18:1(11Z)) | 338857.67 | 330529.70 | 320208.96 | 306563.04 | 339335.98 | 333390.50 | 300134.69 | 296010.57 | 317790.84 | |
| PE(30:4) | 184346.89 | 194163.82 | 197239.34 | 141125.43 | 168424.62 | 152252.65 | 131082.03 | 146904.92 | 157186.50 | |
| PE(31:4) | 417842.42 | 468466.51 | 431229.99 | 311728.98 | 348823.11 | 346304.87 | 267934.12 | 255163.18 | 287640.52 | |
| PE(32:0) | 1326732.50 | 1238143.28 | 1177962.75 | 1196039.25 | 1430897.75 | 1240218.00 | 1165916.25 | 1165465.62 | 1154797.86 | |
| PE(32:1) | 1133884.75 | 1045002.69 | 1035627.31 | 1066734.25 | 1147832.25 | 1087243.50 | 1006299.00 | 980802.50 | 987560.20 | |
| PE(34:3) | 799413.00 | 661861.23 | 698701.31 | 713316.61 | 760251.75 | 694267.25 | 708389.75 | 715666.27 | 654992.97 | |
| PE(34:4) | 151323.97 | 158548.22 | 148362.50 | 149191.86 | 159219.80 | 161395.46 | 144033.65 | 158612.47 | 149992.73 | |
| PE(36:0) | 1402792.25 | 1653506.28 | 1522176.84 | 1551615.69 | 1593042.00 | 1613123.75 | 1490630.75 | 1574383.44 | 1434136.88 | |
| PE(36:2) | 523612.65 | 513617.67 | 542469.78 | 526186.66 | 538970.93 | 496741.07 | 522689.58 | 489206.49 | 515809.77 | |
| PE(36:4) | 3937739.31 | 3873224.56 | 3926353.06 | 3909688.62 | 4174264.69 | 3917767.94 | 4005195.44 | 3954933.75 | 3827487.75 | |
| PE(38:1) | 3535663.00 | 3054164.88 | 3110430.88 | 3320008.56 | 2513529.50 | 3194325.50 | 3024977.00 | 3157030.81 | 3060069.94 | |
| PE(38:6) | 3567388.00 | 3352367.75 | 3364775.00 | 3585142.06 | 3835810.75 | 3392038.50 | 3651390.75 | 3586043.38 | 3471345.62 | |
| PE(O-38:5) | 5715823.50 | 5508076.88 | 5341301.00 | 5136010.75 | 5719437.12 | 5202546.62 | 5704744.88 | 4861700.06 | 5069616.38 | |
| PE(P-34:1) | 624406.70 | 596651.50 | 641207.81 | 589650.95 | 603912.28 | 599745.52 | 526872.45 | 523006.29 | 596260.72 | |
| PE(P-36:4) | 2164687.81 | 1710234.22 | 2030542.38 | 2022387.31 | 2030897.38 | 1862773.28 | 1686783.78 | 1900078.62 | 1977711.31 | |
| PE(P-36:5) | 145112.01 | 132330.61 | 132575.24 | 121692.79 | 131119.21 | 136005.55 | 118953.74 | 102643.37 | 126423.13 | |
| PE(P-38:5) | 4128587.12 | 4182736.81 | 4094780.44 | 4117021.56 | 4286960.69 | 2788059.13 | 4151413.88 | 3985839.31 | 4023531.06 | |
| PE(P-38:6) | 1774558.47 | 1714730.03 | 1758803.91 | 1767308.12 | 1987918.94 | 1730843.59 | 1809950.66 | 1647883.97 | 1761649.72 | |
| PE(P-40:4) | 275889.50 | 283030.24 | 298262.39 | 268123.94 | 272223.00 | 293947.50 | 255850.50 | 270325.94 | 297347.79 | |
| PE(P-40:5) | 2950699.12 | 3047003.25 | 2885953.38 | 2904134.94 | 3153492.88 | 2731844.44 | 3075374.88 | 2598780.34 | 2820765.00 | |
| [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce... | 110539.25 | 135987.53 | 101501.92 | 121755.95 | 94919.90 | 136170.51 | 110647.36 | 160570.98 | 113143.41 | |
| [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glyce... | 362389.91 | 457781.30 | 282643.00 | 416248.48 | 314500.66 | 426637.96 | 372859.07 | 546065.59 | 376445.44 | |
| [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-... | 79028.15 | 95818.45 | 81744.01 | 103028.93 | 69002.31 | 91349.02 | 78365.62 | 109102.42 | 85965.42 | |
| PG(34:1) | 619757.27 | 707792.11 | 441499.12 | 725854.17 | 465771.41 | 451559.45 | 448171.83 | 699553.02 | 424576.86 | |
| PG(36:2) | 556989.25 | 654563.45 | 482515.30 | 640243.14 | 447959.75 | 419862.50 | 463200.50 | 651671.98 | 430335.98 | |
| Phosphocreatine | 144530.73 | 125757.69 | 117377.99 | 137176.21 | 171871.06 | 147040.84 | 151835.16 | 115047.86 | 131279.03 | |
| Phosphoenolpyruvate | 204085.64 | 170893.18 | 212376.19 | 254643.77 | 371143.34 | 302133.42 | 396226.00 | 236192.08 | 311485.55 | |
| Phosphophosphinate | 118172.26 | 100478.82 | 109833.65 | 110050.13 | 103398.24 | 115758.12 | 121112.18 | 103267.18 | 110123.21 | |
| Phthalate | 965828.67 | 945240.25 | 926295.36 | 1000754.47 | 1024872.77 | 1029254.47 | 998966.63 | 988022.14 | 946599.89 | |
| PI(32:0) | 111939.50 | 114707.77 | 108383.56 | 93088.97 | 114834.00 | 99000.00 | 93683.25 | 84413.59 | 92944.73 | |
| PI(34:0) | 250960.10 | 253290.02 | 234885.25 | 191191.32 | 232217.33 | 151743.60 | 174506.91 | 184021.20 | 211710.37 | |
| PI(34:1) | 378305.29 | 384407.18 | 374334.19 | 311732.52 | 362186.73 | 350046.34 | 299542.41 | 284506.89 | 275690.20 | |
| PI(36:4) | 435399.16 | 387971.02 | 385205.45 | 422953.13 | 447651.98 | 377372.96 | 392484.98 | 381027.84 | 374276.61 | |
| PI(38:4) | 1427971.75 | 1376372.91 | 1361425.81 | 1434065.28 | 1614573.25 | 1423057.25 | 1412701.00 | 1407722.47 | 1380802.69 | |
| PI(38:5) | 255191.98 | 257121.25 | 244185.27 | 272089.93 | 306010.36 | 260301.79 | 248546.78 | 256234.84 | 258727.32 | |
| PI(40:6) | 118337.00 | 96731.01 | 101819.61 | 108033.02 | 115802.75 | 99382.25 | 102495.50 | 92033.89 | 97130.91 | |
| Pro-Arg-His | 124851.44 | 127833.45 | 127895.49 | 146088.93 | 133797.04 | 137952.06 | 145435.03 | 147351.92 | 137411.77 | |
| Procollagen 5-(D-galactosyloxy)-L-lysine | 137646.20 | 127389.14 | 123587.65 | 118087.21 | 132885.28 | 128826.48 | 127578.22 | 113420.02 | 117091.36 | |
| Pro-Ser | - | 226503.37 | - | - | 23280.50 | 22337.00 | - | 20299.32 | 26821.96 | |
| PS(15:0) | 407851.63 | 299946.34 | 283139.56 | 431246.44 | 467994.02 | 310463.77 | 369302.56 | 354647.04 | 364891.26 | |
| PS(18:0) | 163612.75 | 138214.38 | 122894.88 | 168261.50 | 146235.25 | 179490.50 | 158265.25 | 156603.00 | 158316.21 | |
| [PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine | 158444.00 | 174260.93 | - | 220371.55 | 337859.00 | 529338.00 | 373330.50 | 282460.58 | 465143.52 | |
| PS(18:2(9Z,12Z)/0:0) | 72371.50 | 83405.74 | 26052.45 | 110572.44 | 150686.50 | 190412.75 | 162824.25 | 108078.87 | 182486.70 | |
| [PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-p... | 81483.25 | 72055.40 | 46481.34 | 118758.39 | 124483.00 | 155550.25 | 135811.50 | 107644.42 | 151951.81 | |
| PS(34:0) | 1240021.25 | 1258879.12 | 1164496.91 | 1218936.16 | 1189031.25 | 1128577.00 | 1083011.25 | 1204586.70 | 993664.20 | |
| PS(34:1) | 1054671.31 | 1094837.80 | 909643.30 | 1000983.81 | 996166.33 | 984605.98 | 961239.14 | 1063326.77 | 963331.89 | |
| PS(34:2) | 153745.15 | 151386.08 | 144663.05 | 156586.84 | 143144.57 | 141676.99 | 167295.47 | 139239.88 | 161376.40 | |
| PS(36:0) | 1938731.53 | 2200023.94 | 1727481.56 | 2138262.88 | 1646858.72 | 1581746.97 | 1558655.62 | 2040660.91 | 1498312.94 | |
| PS(36:1) | 5042619.06 | 4935984.25 | 4492941.56 | 4923976.88 | 4933640.50 | 4491834.50 | 4488370.75 | 4989760.00 | 4423217.19 | |
| PS(36:2) | 2847791.94 | 2854488.56 | 2519034.50 | 2803635.31 | 2850465.00 | 2552355.94 | 2625409.44 | 2786372.12 | 2695549.25 | |
| PS(36:3) | 850277.06 | 857862.70 | 693947.45 | 879858.52 | 804690.70 | 786254.12 | 807472.05 | 844581.20 | 737448.80 | |
| PS(36:4) | 412319.95 | 409322.34 | 368927.74 | 406206.38 | 449585.47 | 394393.20 | 400924.23 | 422280.94 | 393051.74 | |
| PS(38:4) | 21465582.00 | 20631202.00 | 20506645.50 | 21184638.00 | 23086302.00 | 21144981.50 | 20403775.00 | 21663765.00 | 20147881.00 | |
| PS(38:5) | 3663615.75 | 3484708.69 | 3451143.94 | 3551008.19 | 3815337.25 | 3663950.25 | 3610083.25 | 3719589.31 | 3451491.38 | |
| PS(38:6) | 701220.75 | 703248.86 | 615522.78 | 661943.72 | 737854.02 | 681374.50 | 666988.67 | 664546.27 | 657257.44 | |
| PS(40:4) | 3101609.06 | 2923485.88 | 2844471.06 | 3114547.06 | 3277069.00 | 2963481.94 | 2776148.25 | 2902538.75 | 2855566.06 | |
| PS(40:5) | 8552424.75 | 8285032.00 | 7914550.75 | 8538822.12 | 9210059.75 | 8276828.38 | 8103011.88 | 8385728.62 | 7817507.25 | |
| PS(40:8) | 159340.40 | 156280.62 | 155908.51 | 157126.68 | 156272.37 | 141255.86 | 156292.64 | 151524.65 | 135143.91 | |
| PS(42:10) | 439042.00 | 403802.91 | 396042.69 | 417834.42 | 471037.25 | 410965.25 | 396658.75 | 408922.45 | 422597.89 | |
| PS(42:7) | 147646.25 | 166159.39 | 138422.36 | 151896.99 | 161727.65 | 155373.05 | 152431.63 | 128107.71 | 141538.12 | |
| PS(42:9) | 93513.29 | 90233.40 | 90391.21 | 75420.07 | 85498.78 | 85376.13 | 70968.26 | 77393.77 | 83866.61 | |
| PS(52:0) | 227743.20 | 180694.25 | 220887.50 | 205301.34 | 206208.55 | 197088.35 | 202509.30 | 150790.03 | 192004.64 | |
| psicoselysine | 94550.48 | 78363.63 | 62646.94 | 109263.22 | 76133.60 | 66220.96 | 79803.81 | 110090.81 | 64645.74 | |
| Psychosine | 102470.82 | 104818.18 | 120697.68 | 88540.11 | 112246.51 | 127302.31 | 114179.50 | 91698.16 | 122946.13 | |
| Pyridoxal | 265325.89 | 262347.45 | 242810.28 | 380064.09 | 376726.10 | 335027.99 | 406959.77 | 459866.79 | 319937.40 | |
| Pyridoxine phosphate | 210425.46 | 212242.71 | 212173.73 | 211646.78 | 232343.45 | 189149.83 | 201818.85 | 191767.37 | 193005.16 | |
| Quinate | 1049024.84 | 1103604.05 | 1076522.73 | 1292540.22 | 1314004.47 | 1058714.83 | 1410849.47 | 1244607.56 | 1150540.12 | |
| (R)-2-Hydroxyglutarate | 9490010.25 | 9132236.25 | 9668875.50 | 9805360.25 | 10334990.50 | 9126122.00 | 9664634.50 | 8697115.62 | 9537932.50 | |
| Resazurin | 77456.50 | 83051.76 | 78187.31 | 80690.56 | 89219.75 | 89194.75 | 78653.75 | 73385.88 | 89187.21 | |
| (R,R)-Tartaric acid | 402412.52 | 384829.86 | 398373.41 | 427587.21 | 393374.34 | 383225.73 | 406992.23 | 385602.12 | 419944.33 | |
| (S)-1-Pyrroline-5-carboxylate | 81888.50 | 56815.61 | 63427.24 | 116568.56 | 102491.53 | 61112.35 | 101549.83 | 105551.72 | 84408.51 | |
| (S)-2-Aceto-2-hydroxybutanoate | 158124.36 | 156390.85 | 144126.47 | 185166.07 | 179316.52 | 152762.90 | 180887.79 | 183273.61 | 174366.58 | |
| S-(2-Hydroxyethyl)glutathione | 288376.75 | 234486.04 | 229431.91 | 314498.16 | 337956.75 | 235167.25 | 251743.50 | 260400.93 | 222542.41 | |
| S-Adenosyl-L-homocysteine | 558741.62 | 416371.26 | 396150.46 | 626010.09 | 377966.46 | 372833.65 | 369519.46 | 571022.58 | 384126.40 | |
| S-Adenosyl-L-methionine | 993792.50 | 1133548.55 | 1360979.06 | 1183549.59 | 1139482.00 | 1197011.25 | 1226575.75 | 1079692.34 | 1156733.16 | |
| Sanguinarine | 102665.25 | 83997.49 | 69800.10 | 147689.54 | 135175.50 | 78759.00 | 118551.00 | 112157.61 | 87436.24 | |
| (S)-Dihydroorotate | 2365246.12 | 25881.06 | 19998.83 | 32759.11 | 19719.44 | 21750.48 | 26253.80 | 26115.02 | 24655.09 | |
| Sedoheptulose | 87142.06 | 83658.68 | 88942.58 | 85495.38 | 85246.39 | 83205.70 | 82761.38 | 76012.70 | 81766.74 | |
| Ser-Ser | - | 96280.88 | - | - | - | - | - | - | - | |
| Ser-Ser-Ser | 181779.75 | - | - | - | - | - | - | - | - | |
| Slaframine | 3924939.62 | 4105536.56 | 4032440.62 | 3979040.44 | 4050312.94 | 4269982.56 | 3845541.19 | 3513950.19 | 3815505.31 | |
| (S)-Malate | 5646509.50 | 4605665.50 | 4767840.50 | 5008744.50 | 5989122.75 | 6176776.25 | 5589415.00 | 4455723.12 | 5403179.38 | |
| SM(d16:1/22:1) | 1020147.03 | 1085950.03 | 1005249.91 | 939190.02 | 983110.77 | 952010.06 | 839390.80 | 814958.72 | 946647.73 | |
| SM(d18:1/14:0) | 6270434.25 | 6198474.38 | 6024704.12 | 5510391.50 | 5933757.25 | 6288853.00 | 5434342.75 | 5364978.50 | 5536254.62 | |
| SM(d18:1/18:0) | 5231394.50 | 4357895.44 | 5142079.00 | 4547413.50 | 5175455.00 | 4951196.00 | 4242861.50 | 4246059.56 | 4792712.88 | |
| SM(d18:1/22:0) | 3897279.56 | 3999469.06 | 4182058.50 | 3260577.88 | 3629915.44 | 3728960.06 | 3224438.50 | 2682356.09 | 3804418.62 | |
| SM(d18:1/22:1(13Z)) | 3536000.25 | 3315446.69 | 3405856.12 | 2975769.81 | 3510007.75 | 3369224.00 | 3017074.25 | 2835421.38 | 3193905.19 | |
| SM(d18:2/22:1) | 460020.32 | 438042.97 | 492112.96 | 451887.34 | 443042.70 | 462242.07 | 448047.13 | 499137.52 | 461718.60 | |
| SM(d18:2/24:0) | 14596757.50 | 14028518.00 | 14695844.75 | 12364155.00 | 14558450.75 | 14124976.00 | 11855382.25 | 12528029.75 | 13541172.75 | |
| SM(d18:2/24:1) | 4993494.12 | 5115247.25 | 5069850.62 | 4788903.38 | 5215753.62 | 5339539.62 | 4521229.38 | 4594897.75 | 4749474.00 | |
| SM(d34:2) | 5405356.75 | 5354996.00 | 5080575.38 | 4431644.00 | 5059733.00 | 5051204.50 | 4493723.00 | 4260567.12 | 4972653.50 | |
| SM(d36:2) | 2804721.75 | 2873954.44 | 3034571.81 | 3176441.88 | 3228243.25 | 3027908.75 | 2771222.00 | 3003751.88 | 3163119.88 | |
| SM(d38:1) | 3483773.06 | 3327827.19 | 3752161.00 | 3608992.44 | 3753693.62 | 3589432.69 | 3157103.88 | 3453724.88 | 3400286.19 | |
| SM(d44:1) | 1024572.50 | 1068968.12 | 1024838.36 | 968420.58 | 1008675.45 | 1047148.27 | 901477.39 | 821276.00 | 945908.38 | |
| S-Methyl-5-thio-D-ribose 1-phosphate | 86093.50 | 124121.68 | 44777.98 | 306556.44 | 71914.25 | 47019.50 | 82403.50 | 308360.61 | 57219.37 | |
| sn-glycero-3-Phosphocholine | 7656552.00 | 8336475.75 | 7060138.00 | 8021804.75 | 9266782.50 | 8537035.75 | 9640443.00 | 7617074.88 | 8741737.12 | |
| sn-glycero-3-Phosphoethanolamine | 297202.48 | 317501.03 | 286755.55 | 288550.61 | 315161.29 | 311417.41 | 318117.14 | 289793.75 | 317985.61 | |
| sn-Glycerol 3-phosphate | 3552292.62 | 2935979.44 | 3344633.81 | 3879181.56 | 6760881.12 | 5064869.88 | 6475905.50 | 3195409.06 | 5562609.00 | |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine | 858780.75 | 907250.11 | 977766.08 | 644949.14 | 866304.00 | 760097.00 | 685027.25 | 595213.09 | 736171.86 | |
| [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine | 41841813.00 | 40317991.00 | 39535499.00 | 34400611.00 | 38827784.00 | 39664380.00 | 33766210.50 | 32821407.00 | 37229400.00 | |
| [SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine | 2780903.12 | 2879547.88 | 2965446.44 | 2147490.94 | 2483907.38 | 2442619.94 | 2193664.84 | 1675449.22 | 2417136.78 | |
| [SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-phosphocholin... | 6723618.38 | 6265927.12 | 6951849.88 | 5119223.62 | 6163493.50 | 6187114.12 | 5002711.38 | 4696109.62 | 6180888.62 | |
| [SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocho... | 1711534.19 | 1697938.81 | 1649784.12 | 1631905.81 | 1701683.56 | 1707273.56 | 1595204.44 | 1416459.06 | 1613341.66 | |
| [SP] Sphinganine-1-phosphate | 349864.11 | 371255.03 | 327674.35 | 375204.38 | 428950.13 | 386962.51 | 382100.23 | 378242.85 | 377440.53 | |
| S-Sulfo-L-cysteine | 32792.25 | 11562.20 | 18039.89 | 46002.70 | 50325.75 | 17728.25 | 60199.25 | 41272.60 | 33003.20 | |
| [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene | 459723.50 | 419430.69 | 371816.37 | 386273.65 | 307867.00 | 511759.50 | 828948.25 | 309760.20 | 544594.18 | |
| Stachydrine | 636748.47 | 583819.59 | 605008.81 | 604815.97 | 582563.16 | 596256.11 | 641052.44 | 529406.62 | 575916.45 | |
| Stearoylcarnitine | 4943725.88 | 5241829.06 | 5758242.50 | 4619188.44 | 5038869.25 | 5258063.38 | 4545298.50 | 4290259.69 | 4811960.38 | |
| Succinate | 248825.81 | 251250.67 | 157230.89 | 327719.31 | 211367.79 | 203906.55 | 230007.44 | 324433.16 | 215749.68 | |
| Succinyladenosine | 153672.97 | 119884.62 | 135801.32 | 234962.62 | 230693.81 | 128756.06 | 195833.16 | 156440.84 | 190778.37 | |
| Sucrose | 40189.69 | 39705.52 | 37803.21 | 41066.44 | 42904.73 | 78682.40 | 45598.74 | 51302.39 | 39949.72 | |
| Sulfoacetaldehyde | 82048.40 | 53440.35 | 66591.89 | 107326.99 | 87474.89 | 51860.05 | 83316.08 | 55884.86 | 76918.37 | |
| Taurine | 2954861.25 | 2559823.19 | 3337666.00 | 3508949.12 | 3664573.25 | 2741895.75 | 3565655.75 | 2595864.00 | 3539086.56 | |
| Thiamin | 672265.20 | 548767.16 | 590251.31 | 844231.84 | 705954.67 | 431178.79 | 673786.38 | 652303.19 | 639494.56 | |
| thiomethyl glutamate | 118060.00 | 109250.34 | 114260.24 | 120022.60 | 113202.25 | 111052.25 | 123441.25 | 113146.28 | 121329.34 | |
| Thiourocanic acid | 21659.39 | 27677.78 | 49148.15 | 41320.57 | 28816.61 | 16040.90 | 33043.10 | 64029.13 | 40823.53 | |
| Thr-Pro | 367804.00 | 277055.56 | 33125.92 | 324920.77 | 36831.00 | 40484.00 | 45346.75 | 262592.92 | 53055.98 | |
| Thr-Ser | - | 117086.96 | - | - | - | - | - | - | - | |
| Thr-Thr-Ser | 102940.75 | - | - | - | - | - | - | - | - | |
| Thr-Trp-Cys | 180123.00 | 180515.26 | 180322.55 | 189928.65 | 207469.75 | 160904.75 | 160481.00 | 198632.66 | 151203.15 | |
| Thymine | 31455.00 | 43552.06 | 31363.15 | 75838.94 | 43640.00 | 62891.50 | 65848.25 | 76234.75 | 79798.71 | |
| trans-Hexadec-2-enoylcarnitine | 358816.79 | 396950.64 | 407902.73 | 324672.23 | 366462.48 | 471598.48 | 391844.07 | 302240.87 | 404180.95 | |
| Trp-Ala-Cys | 154910.00 | 139403.25 | 154361.98 | 211897.84 | 210790.25 | 168977.00 | 205999.75 | 178632.12 | 184562.46 | |
| Trp-Trp-Ser | 25341445.75 | 11916974.12 | 19796060.00 | 31130373.00 | 30699313.50 | 6238213.12 | 25322141.00 | 16422927.75 | 25624739.25 | |
| UDP | 334352.23 | 320055.07 | 320090.95 | 373202.91 | 429153.61 | 377602.09 | 383992.96 | 346415.76 | 351522.07 | |
| UDP-glucose | 1969273.50 | 1815942.84 | 1836628.22 | 2432206.69 | 2572049.00 | 2167157.50 | 2455326.00 | 2279215.94 | 2081066.16 | |
| UDP-glucuronate | 37802.16 | 30119.50 | 33739.27 | 69687.26 | 72303.85 | 46199.81 | 78196.70 | 78581.97 | 52159.64 | |
| UDP-N-acetyl-D-galactosamine | 1807295.50 | 1753454.38 | 1666299.31 | 2306138.19 | 2336673.25 | 1976457.50 | 2036232.75 | 2118062.69 | 1806585.16 | |
| UMP | 48413.75 | 317548.14 | 55673.63 | 153429.29 | 120018.75 | 94138.25 | 104991.50 | 146829.48 | 96107.05 | |
| Urate | 76466.25 | 45425.70 | 74756.45 | 188055.57 | 161319.50 | 60980.75 | 130652.00 | 368700.50 | 134964.35 | |
| vanillylamine | 682666.45 | 615654.38 | 575648.11 | 702669.56 | 672318.13 | 619367.49 | 610984.62 | 735175.56 | 573485.91 | |
| Vicine | 112676.00 | 108238.53 | 120664.45 | 126475.41 | 120966.00 | 132656.25 | 127675.00 | 117034.34 | 120121.51 | |
| Vinylacetylglycine | 97017.14 | 88977.62 | 97956.58 | 115432.33 | 94980.34 | 103585.18 | 119308.22 | 93130.65 | 97421.32 | |
| (Z)-4-Hydroxyphenylacetaldehyde-oxime | 76502.30 | 70037.07 | 64239.03 | 89177.18 | 83630.32 | 103501.30 | 103061.84 | 89027.98 | 71608.59 |
Factors:
| F1 | drug treatment:Atovaquone |
| F2 | drug treatment:Chloroquine |
| F3 | drug treatment:Dihydroartemisisin |
| F4 | drug treatment:DMSO |
| F5 | drug treatment:MMV00073 |
| F6 | drug treatment:MMV390482 |
| F7 | drug treatment:MMV397264 |
| F8 | drug treatment:OSM-S-291 |
| F9 | drug treatment:OSM-S-313 |
