Data for ST003160
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| "1,2-Dihydroxymint lactone" | 572790.13 | 593657.73 | 591363.76 | 611356.27 | 581201.68 | |
| 1(2H)-Phthalazinone | 3685226.88 | 3648362.88 | 3195436.94 | 4005098.25 | 3616831.69 | |
| "1,3,5-Trimethoxybenzene" | 3478298.62 | 3566592.81 | 2785434.78 | 3774260.12 | 2552884.03 | |
| "14-hydroxy-10,13-dioxoheptadec-7-enoic acid" | 1782886.06 | 2155576.81 | 1821303.59 | 2222761.22 | 1764617.44 | |
| 15(R)-hydroperoxy-EPE | 1957500000.00 | 1291750000.00 | 1495000000.00 | 1197250000.00 | 1590000000.00 | |
| "1,6,8-trimethylallantoate" | 521219.93 | 69937.81 | 113924.07 | 124441.40 | 170824.22 | |
| "19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one" | 14450932.62 | 13603194.12 | 15277579.75 | 16125000.00 | 16065841.00 | |
| 1H-Indole-3-acetamide | 2516808.25 | 1403856.39 | 2289848.22 | 1677340.58 | 1675541.30 | |
| 1-O-[(6^-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecano... | 651423.24 | 788164.75 | 817382.73 | 688532.96 | 629764.59 | |
| 1-Octen-3-yl glucoside | 1407046.91 | 1399280.56 | 1552170.16 | 1435755.97 | 1229748.88 | |
| 1-O-(hydroxy-8-methyl-9-decadienoyl)-beta-D-glucopyranose | 1512024.59 | 1389779.72 | 1657354.59 | 1290822.91 | 1436979.78 | |
| 1-Pyrroline-5-carboxylic acid | 515412.24 | 399130.16 | 260328.88 | 747405.58 | 656872.86 | |
| 20-Hydroxy-leukotriene B4 | 1188078.91 | 1190155.28 | 1338352.66 | 1177026.31 | 1296948.39 | |
| "2,4-heptadienal" | 1853700.69 | 2476071.19 | 1747509.25 | 2142188.75 | 1905419.16 | |
| "2,4-Nonadienal" | 1247565.98 | 1288548.62 | 1379995.69 | 1313499.81 | 1497742.81 | |
| "2,5-Dimethyl-1H-pyrrole" | 7417251.25 | 5902695.12 | 3717327.62 | 30132648.25 | 4256676.88 | |
| 2-amino-2-deoxy-D-mannitol | 249606.29 | 238994.17 | 239168.23 | 261268.18 | 237778.97 | |
| "2-Amino-9,10-epoxy-8-oxodecanoic acid" | 353857.10 | 406358.67 | 390356.51 | 328085.95 | 327053.14 | |
| 2-Aminoheptanoate | 1727998.09 | 2114875.00 | 2277329.25 | 1823800.97 | 1667049.66 | |
| "2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino... | 1632796.72 | 1362000.73 | 872241.84 | 1262711.97 | 1387513.58 | |
| "2-Methyl-6-oxohepta-2,4-dienal" | 3007590.44 | 4054444.38 | 3388351.44 | 3047630.25 | 3145664.41 | |
| 2-Methylbenzyl alcohol | 10552501.25 | 11291593.75 | 13193026.25 | 10407805.75 | 10135513.62 | |
| 2-nitro-1-propanol | 335658.56 | 273707.73 | 306243.90 | 289208.98 | 292162.92 | |
| 2-Oxo-4-hydroxy-5-aminovalerate | 460943.05 | 232707.78 | 334683.60 | 956999.09 | 295294.36 | |
| 2-Oxoarginine | 602471.63 | 272622.92 | 344165.59 | 440526.65 | 416473.51 | |
| 2-Phenylethanol | 20725000.00 | 26250000.00 | 20775000.00 | 19725000.00 | 21425000.00 | |
| 2-Piperidinone | 613484.11 | 674973.89 | 851736.47 | 681802.12 | 736516.55 | |
| "3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-c... | 4645245.98 | 612750.38 | 541524.50 | 643690.56 | 2020656.96 | |
| "3,4-Methyleneazelaic acid" | 1190981.62 | 1215243.62 | 1244889.03 | 1175767.78 | 1142083.55 | |
| "3,5-Dimethoxytoluene" | 1929762.91 | 2367075.97 | 2130532.84 | 2240600.97 | 2079742.19 | |
| "3,6-Nonadienal" | 1453668.28 | 2069828.03 | 1538558.16 | 1447675.09 | 1716015.16 | |
| "3,7-Dimethyl-decadien-1,10-dioic acid" | 2550251.91 | 2873744.25 | 2869578.69 | 2621134.81 | 2877374.56 | |
| 3-Amino-2-piperidone | 217134.27 | 180193.05 | 275059.00 | 234446.85 | 270592.48 | |
| 3-Aminodihydro-2(3H)-furanone | 2310376.91 | 1788123.34 | 1613213.25 | 1878659.66 | 961932.08 | |
| 3-Indoleacetaldoxime | 7980373.25 | 5517374.50 | 8996472.25 | 5526114.94 | 5875451.12 | |
| 3-Isopropylcatechol | 2222108.72 | 2367075.97 | 2331700.66 | 1632601.78 | 2085344.94 | |
| 3-Methyleneoxindole | 11449163.62 | 7210932.50 | 12471098.00 | 7686456.75 | 8346179.94 | |
| 3-nitro-2-pentanol | 1200319.14 | 1371817.22 | 2248954.61 | 1911762.89 | 1613839.25 | |
| 3-tert-Butyl-5-methylcatechol | 5877325.25 | 7055139.25 | 6075848.75 | 6003465.75 | 6083804.62 | |
| 4-Aminobutyraldehyde | 1915147.25 | 1356132.66 | 1163580.00 | 1051015.62 | 1354948.50 | |
| 4-Hexyloxyphenol | 1472880.94 | 1633063.38 | 1439509.38 | 1556523.50 | 1679611.00 | |
| 4-Methylaminobutyrate | 14291201.00 | 16325000.00 | 19650000.00 | 14725000.00 | 15700000.00 | |
| 4-Methylbenzyl alcohol | 15250000.00 | 16200000.00 | 13800000.00 | 16675000.00 | 16125000.00 | |
| 4-Nitroaniline | 2078594.44 | 1324627.44 | 1445915.39 | 2069262.38 | 1629512.94 | |
| 4-(Trimethylammonio)but-2-enoate | 1540165.92 | 1574711.28 | 1784152.84 | 1218786.81 | 1445716.66 | |
| 5-Amino-3-oxohexanoate | 2111030.06 | 1768057.66 | 1799332.78 | 1913537.28 | 1965448.62 | |
| 5-Aminolevulinic acid | 98450000.00 | 27825000.00 | 38175000.00 | 26050000.00 | 43275000.00 | |
| 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid | 10366996.50 | 10662553.00 | 10906891.00 | 9812859.12 | 9662790.25 | |
| 5-Methoxytryptophol | 1861972.47 | 1973060.22 | 1809873.38 | 2043534.00 | 1966620.38 | |
| 5^-methylthioformycin | 10126196.06 | 11340066.00 | 8907058.50 | 9882484.50 | 9380079.25 | |
| "6,7-Dimethyl-8-(1-D-ribityl)lumazine" | 9165618.88 | 7426159.25 | 6840340.00 | 8842039.50 | 7829291.00 | |
| 6-Hydroxynicotine | 137719.44 | 139373.39 | 602837.42 | 119903.04 | 489592.12 | |
| 8-Hydroxyadenine | 521694.51 | 433618.59 | 487443.91 | 597429.85 | 415699.57 | |
| 8-oxogeranial | 1048279.69 | 1136059.31 | 1040838.28 | 1136336.69 | 1163034.73 | |
| 9^-Carboxy-alpha-chromanol | 2692138.06 | 4200088.62 | 4719615.12 | 2575647.03 | 2707690.97 | |
| "(9R,13R)-1a,1b-dihomo-jasmonic acid" | 2368500.38 | 2374414.75 | 2574347.19 | 2410254.56 | 2385052.06 | |
| Acetylcarnitine | 1791995.71 | 1956859.38 | 3345699.69 | 1518623.67 | 1638166.78 | |
| Adenine | 3655197.16 | 4200228.06 | 2698961.00 | 3906632.94 | 4292125.44 | |
| Adenosine | 887472.73 | 948619.27 | 1084610.58 | 1022237.88 | 810984.84 | |
| Adenosine monophosphate | 56075000.00 | 55925000.00 | 63900000.00 | 47850000.00 | 46200000.00 | |
| Adenosylhomocysteine | 6171456.25 | 6570222.25 | 4840182.81 | 6494306.88 | 5798713.50 | |
| Adenylsuccinic acid | 633373.77 | 265993.73 | 227587.96 | 342974.77 | 305957.13 | |
| Ala/Ala/Asn | 247346.91 | 146781.10 | 248514.80 | 277937.99 | 285271.85 | |
| Ala/Asn/Gly | 301458.73 | 308578.80 | 421584.57 | 572423.09 | 496881.86 | |
| Ala/Asp/Gly/Arg | 465364.05 | 299425.18 | 308202.77 | 555438.88 | 391211.05 | |
| Ala/Asp/Pro | 1551052.41 | 792267.57 | 2383602.03 | 1838538.62 | 1088470.72 | |
| Ala/Cys/Phe/Phe/Trp | 2243033.81 | 1199666.98 | 6251791.88 | 3032842.44 | 1855616.81 | |
| Ala/Gln | 184690.20 | 156177.56 | 489429.73 | 251966.93 | 237162.80 | |
| Ala/Glu/Glu/His | 5921911.25 | 4397655.38 | 14876268.00 | 9660654.88 | 7677863.00 | |
| Ala/Gly/Pro | 909706.50 | 799862.91 | 1194016.00 | 1833845.58 | 1882904.56 | |
| Ala/His | 1174353.47 | 763325.48 | 3187318.75 | 1535093.41 | 1127465.62 | |
| Ala/Leu/Asn/Pro | 383216.44 | 244386.73 | 2498833.28 | 560300.67 | 446779.79 | |
| Ala/Leu/Asn/Ser | 1548629.09 | 636712.05 | 443554.41 | 1151372.98 | 862680.74 | |
| Ala/Lys/Ala/Ala | 235007.13 | - | 1384727.06 | 446300.45 | 276677.78 | |
| Ala/Lys/Asp/Pro | 852121.11 | 372582.90 | 3413562.72 | 1364201.41 | 780342.84 | |
| Ala/Lys/Lys/Asp | 246522.95 | - | 1329969.41 | 404659.84 | 276616.66 | |
| Alanine | 6550836.88 | 3569553.88 | 7364663.12 | 4829408.19 | 5136738.38 | |
| Ala/Phe/His/Met/Arg | 619265.98 | 149791.57 | 246778.10 | 367568.15 | 297570.70 | |
| Ala/Pro | 60925000.00 | 24400000.00 | 98275000.00 | 64825000.00 | 47400000.00 | |
| Ala/Ser | 262651.25 | - | 353522.59 | 299971.24 | 240864.01 | |
| Ala/Val/Gly/Pro | 1023087.30 | 357333.17 | 1746589.14 | 1431888.91 | 925075.97 | |
| alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene... | 2207062.84 | 2191540.84 | 2347121.06 | 2375703.34 | 2253480.69 | |
| Alpha-dihydroartemisinin | 2204900.84 | 2185863.81 | 2210968.09 | 2129326.53 | 2217956.50 | |
| Alpha-Ketooctanoic acid | 574786.85 | 550688.59 | 502801.65 | 605383.56 | 500177.61 | |
| alpha-NADP+ | 1282845.58 | 1131891.13 | 1199709.62 | 1425153.38 | 1234550.39 | |
| Arg/Asp/Gly/Ser | 1087480.45 | 251189.34 | 488492.62 | 614163.94 | 559448.01 | |
| Arginine | 139400000.00 | 32050000.00 | 47075000.00 | 55175000.00 | 65800000.00 | |
| Arg-OEt | 4948459.69 | 3418998.78 | 2359115.97 | 4459784.12 | 3855307.88 | |
| Asn/Asn/Ser/Tyr | 643064.59 | 508831.30 | 1306596.02 | 926474.12 | 665646.50 | |
| Asn/Gly/Pro/Pro | 1094651.09 | 615598.48 | 2839943.78 | 1306439.31 | 935248.86 | |
| Asn/Leu/Pro/Pro | 1792114.81 | 369516.13 | 5358050.06 | 2344912.25 | 1262269.59 | |
| Asn/Phe/Val/Pro | 1766454.72 | 949908.31 | 13025501.25 | 3218694.34 | 2340105.71 | |
| Asn/Pro | 7525155.00 | 3497424.00 | 9713361.00 | 8581728.25 | 6721158.38 | |
| Asparagine | 13086634.38 | 5541680.38 | 7722772.50 | 8060481.00 | 8862915.75 | |
| Asp/Asp/Pro/Ser/Trp | 5689576.81 | 3124020.94 | 3621504.06 | 2551520.22 | 3936748.25 | |
| Asp/Cys/Cys/Ser | 1408460.20 | 361981.39 | 404043.39 | 717072.00 | 1153862.06 | |
| Asp/Gly | 529019.70 | 434723.50 | 953201.88 | 715632.95 | 461015.23 | |
| Asp/Leu/Lys/Asp | 1363290.45 | 1221653.55 | 1099820.95 | 1487045.19 | 1163382.84 | |
| Asp/Phe/Ile/Lys/Asn | 3895736.62 | 3056255.94 | 2059760.06 | 3049152.94 | 2502401.50 | |
| Asp/Pro | 81925000.00 | 33500000.00 | 66025000.00 | 81525000.00 | 57275000.00 | |
| Asp/Val/Pro/Ser | 14140941.25 | 11274217.75 | 11354337.75 | 14033071.50 | 12887635.00 | |
| b-aminoisobutyric acid | 5852734.31 | 4513119.75 | 4483971.62 | 4969887.38 | 5293345.81 | |
| benzalkonium | 6321609.75 | 4426116.12 | 8417061.38 | 4235918.25 | 6303258.81 | |
| Bicine | 1303691.16 | 966255.42 | 2077920.89 | 1550816.56 | 1068088.04 | |
| Botrydial | 2834782.50 | 2769386.38 | 2996723.06 | 2644978.00 | 2870716.94 | |
| C25 | - | 29250000.00 | 48325000.00 | - | - | |
| CAPS | 13375000.00 | 13700000.00 | 13900000.00 | 13500000.00 | 13425000.00 | |
| Carnitine | 3168600.94 | 3713309.19 | 4427154.03 | 3329516.20 | 3215935.11 | |
| Cer(d42:2) | 1504053.84 | 2006841.91 | 1874667.78 | 1621958.19 | 1556973.00 | |
| CHAPS | 4508487.88 | 4762132.00 | 4716735.50 | 4423154.94 | 4558101.62 | |
| "cis-1,2-Dihydro-3-ethylcatechol" | 1911874.25 | 1919142.44 | 1894852.28 | 2030845.69 | 2003295.56 | |
| Citicoline | 3933280.06 | 6160107.75 | 4619954.12 | 4957365.69 | 4956026.00 | |
| Citrulline | 6527954.12 | 4893842.00 | 5558140.25 | 6237962.19 | 5320495.38 | |
| CMP-2-aminoethylphosphonate | 1606722.00 | 795254.80 | 497316.20 | 1071681.44 | 820267.89 | |
| Convicine | 380294.42 | 384116.52 | 348875.66 | 345206.96 | 352782.77 | |
| coptisine | 410313.73 | 211842.86 | 260619.82 | 305179.13 | 260124.88 | |
| Creatine | 46425000.00 | 59825000.00 | 81675000.00 | 44375000.00 | 50325000.00 | |
| Creatinine | 214755.20 | 198227.22 | 199523.90 | 204755.56 | 230435.11 | |
| CTAB | 645495.30 | 468654.91 | 561306.92 | 594573.35 | 432029.36 | |
| Cuauhtemone | 1013136.70 | 991976.58 | 950687.47 | 748111.12 | 760447.22 | |
| Cyclohex-2-enone | 3234417.25 | 2895719.44 | 3216447.88 | 2757370.12 | 3229990.19 | |
| "Cyclohexane-1,3-dione" | 1228694.17 | 1599007.56 | 1490817.94 | 1344032.41 | 1304559.53 | |
| Cys/Gly/Trp/Trp/Trp | 62925000.00 | 29700000.00 | 36125000.00 | 24150000.00 | 37850000.00 | |
| Cytidine | 799026.24 | 1290332.97 | 865585.03 | 1147199.33 | 1141768.78 | |
| Cytidine monophosphate | 845121.75 | 1385490.47 | 1083113.28 | 1453453.72 | 1279078.44 | |
| dCMP | 708408.23 | 524242.11 | 266453.07 | 616331.74 | 491046.93 | |
| "D,D-diaminopimelate" | 340817.89 | 113569.90 | 190836.68 | 250760.61 | 194746.50 | |
| Dehydrovomifoliol | 1219411.91 | 1650927.97 | 1214930.38 | 1144818.58 | 1153638.47 | |
| Deoxyadenosine monophosphate | 3177977.50 | 2468182.41 | 1154517.05 | 1871113.22 | 1757392.31 | |
| DG(32:0) | 1264489.50 | 1359933.53 | 1365154.78 | 1233261.48 | 1379260.42 | |
| DG(34:1) | 8111079.38 | 7863473.62 | 6660027.25 | 8946848.88 | 8197357.00 | |
| DG(36:2) | 32250000.00 | 31250000.00 | 29100000.00 | 34150000.00 | 29300000.00 | |
| dihydroartemisinic acid hydroperoxide | 2006968.84 | 2048498.47 | 2245863.31 | 1906597.34 | 1896286.69 | |
| Dihydrothymine | 2232871.62 | 1738320.53 | 1637803.25 | 1582206.28 | 1861583.03 | |
| diuron | 9423780.75 | 8847091.00 | 7121878.50 | 8725874.88 | 8228114.88 | |
| DL-2-Aminooctanoic acid | 1160971.55 | 1410543.91 | 1663246.19 | 1193180.77 | 1276061.91 | |
| Ectoine | 364799.89 | 304347.46 | 286201.86 | 342591.84 | 308058.41 | |
| Enigmol | 924110.11 | 987846.55 | 1331801.83 | 899566.67 | 916538.14 | |
| epsilon-aminocaproamide | 8157828.00 | 5445663.62 | 9615948.00 | 4531619.50 | 5768391.25 | |
| Epsilon-caprolactam | 3660670.22 | 1972864.16 | 1810709.78 | 2075995.31 | 2526305.94 | |
| Epsilon-(gamma-Glutamyl)-lysine | 1521312.88 | 923787.67 | 1180275.33 | 1314567.28 | 1025635.70 | |
| Ethyl beta-D-glucopyranoside | 425570.98 | 389294.88 | 410532.68 | 461291.85 | 361818.97 | |
| FA (12:1) Decenedioic acid | 1427846.47 | 1389565.11 | 1400338.72 | 1210470.42 | 1344273.50 | |
| FA methyl(5:1) | 3169739.88 | 2329658.25 | 2914842.03 | 2024348.31 | 1916783.84 | |
| Fenugreekine | 37925000.00 | 39175000.00 | 35775000.00 | 36175000.00 | 33725000.00 | |
| formycin A | 313203.89 | 339850.88 | 426105.51 | 610813.77 | 634527.62 | |
| formylaminopyrimidine | 3998583.56 | 3795051.75 | 2267968.47 | 3721890.56 | 3539492.06 | |
| Fructosamine | 794032.85 | 225794.36 | 399821.72 | 467547.59 | 368219.29 | |
| Gallicynoic acid A | 4179573.19 | 4024300.81 | 4236152.19 | 4003475.94 | 3933582.19 | |
| gamma-Aminobutyric acid | 126175000.00 | 68025000.00 | 55550000.00 | 58350000.00 | 40025000.00 | |
| gamma-Glutamylcysteine | 1263537.23 | 1240053.20 | 1345684.56 | 1147412.08 | 996978.00 | |
| gamma-Glutamylglycine | 363445.43 | 292356.11 | 501125.69 | 376206.41 | 297595.04 | |
| gamma-Glutamylisoleucine | 620814.59 | 842791.69 | 794901.34 | 569002.75 | 554983.42 | |
| Gln/Ser | 182397.94 | 135091.44 | 391572.49 | 261457.27 | 259914.00 | |
| Gln/Tyr | 427020.19 | 300490.33 | 417433.24 | 386179.73 | 365910.68 | |
| Glu/Ala/Pro | 867383.28 | 433242.52 | 1199313.39 | 894732.55 | 553495.13 | |
| Glu/Ala/Val | 646879.23 | 238904.89 | 962521.55 | 667031.55 | 400852.98 | |
| Glu/Arg | 1152499.51 | 459506.42 | 457963.41 | 913571.45 | 643006.97 | |
| Glu/Glu | 516381.63 | 410218.32 | 685214.23 | 860336.08 | 528782.77 | |
| Glu/Glu/His/Pro/Arg | 222687.31 | 193463.70 | 358686.91 | 229427.64 | 215760.32 | |
| Glu/Glu/Pro | 3281407.16 | 1979645.81 | 5736921.19 | 5031898.00 | 3320494.44 | |
| Glu/Pro | 24025000.00 | 12400150.75 | 36225000.00 | 30250000.00 | 23150000.00 | |
| Glutamic acid | 125500000.00 | 108350000.00 | 88150000.00 | 112150000.00 | 77600000.00 | |
| Glutamine | 394750000.00 | 126025000.00 | 237250000.00 | 129500000.00 | 215525000.00 | |
| Glu/Thr | 2591682.66 | 2815095.50 | 3483445.62 | 2505264.69 | 2740042.62 | |
| Glycerol tripropanoate | 3995631.44 | 3956798.31 | 4714335.31 | 4377722.62 | 4628216.12 | |
| Glycerophosphocholine | 47400000.00 | 67375000.00 | 87250000.00 | 68200000.00 | 61025000.00 | |
| Gly/Pro | 1442864.23 | 1023124.88 | 1537274.05 | 2159161.00 | 2177739.94 | |
| Gly/Pro/Pro | 327779.74 | 201109.95 | 219575.98 | 295260.23 | 232694.46 | |
| Guanine | 7603632.00 | 5145872.31 | 1843638.97 | 5381680.19 | 5542950.75 | |
| Guanosine monophosphate | 3747846.94 | 3089435.62 | 3596821.31 | 3710072.12 | 2690424.88 | |
| Hexaethylene glycol | 4161554.88 | 2885298.62 | 3143441.16 | 4947306.59 | 3236701.78 | |
| His/Leu | 421736.73 | 253612.70 | 1075232.20 | 610547.60 | 503385.34 | |
| Histidine | 103150000.00 | 36675000.00 | 88275000.00 | 62475000.00 | 61500000.00 | |
| Histidine trimethylbetaine | 244119.27 | 337614.33 | 432593.15 | 241031.11 | 285164.23 | |
| Homoarecoline | 1244240.05 | 1515116.94 | 1337795.22 | 1520084.38 | 1307501.25 | |
| Hydrogen phosphate | 782783.59 | 688165.41 | 461787.27 | 552242.34 | 496492.55 | |
| hydroxyisovaleroyl carnitine | 2311179.75 | 2263081.47 | 2500219.78 | 2197825.59 | 2298423.81 | |
| Hypoxanthine | 158650000.00 | 71625000.00 | 65600000.00 | 67925000.00 | 98225000.00 | |
| Ile/Ala | - | - | 1944188.31 | 1353407.88 | 1125952.50 | |
| Imidazoleacetic acid | 190649.72 | 222417.40 | 294803.55 | 175161.80 | 165820.37 | |
| indole-3-acetonitrile oxide | 1484031.33 | 766098.45 | 1396906.62 | 915350.09 | 927143.50 | |
| Inosine | 1298492.57 | 456287.12 | 276311.75 | 587791.38 | 899156.46 | |
| Inosinic acid | 2626697.55 | 1829687.91 | 1064409.66 | 1770488.25 | 1573083.88 | |
| iridotrial | 3576446.44 | 3453969.88 | 3098325.00 | 3779827.69 | 3602452.19 | |
| Isoleucine | 55675000.00 | 14053871.50 | 22675000.00 | 13870786.75 | 26467637.50 | |
| Isonicotineamide | 14900755.50 | 14675000.00 | 13425000.00 | 13235611.25 | 13492031.25 | |
| Isopetasoside | 771531.00 | 758095.64 | 802539.08 | 639592.66 | 813596.61 | |
| Isopropylbenzene | 3439183.69 | 4170107.19 | 3326955.00 | 3098673.19 | 3623928.69 | |
| Isovalerylalanine | 639395.32 | 627046.46 | 625525.11 | 741554.44 | 692569.12 | |
| Leucine | 66825000.00 | 21125000.00 | 45400000.00 | 30550000.00 | 37800000.00 | |
| Leu/Pro | 1341280.27 | 1204596.25 | 1822844.75 | 2472045.94 | 2596627.47 | |
| Leu/Ser | 485180.78 | 282966.51 | 925723.50 | 634194.80 | 534629.65 | |
| Lys/Gly | 258419.07 | - | 417910.85 | 320437.58 | 221694.56 | |
| Lysine | 57500000.00 | 16750000.00 | 26500000.00 | 34050000.00 | 31550000.00 | |
| "Lysine 1,6-lactam" | 4952375.03 | 3039990.69 | 3387563.88 | 2965816.44 | 3649160.25 | |
| LysoPC(18:0) | 777831.47 | 789689.72 | 2743410.69 | 821100.97 | 780602.41 | |
| LysoPC(P-16:0) | 1581213.28 | 1796649.03 | 1947407.97 | 1619639.78 | 1593032.16 | |
| Lysopine | 424704.02 | 428970.60 | 533986.01 | 557643.79 | 407973.55 | |
| LysoPS(22:0) | 1461362.23 | 1550593.67 | 1754196.41 | 1958876.03 | 1286118.44 | |
| Lys/Pro | 9211283.88 | 3534422.88 | 7517410.25 | 9440960.12 | 6589498.50 | |
| Lys/Val | 687605.41 | 310512.06 | 1429316.92 | 927499.64 | 682966.66 | |
| Mesitylene | 2575406.34 | 2569588.62 | 2463020.38 | 2869840.62 | 2652502.50 | |
| Met/Cys/Cys | 812554.28 | 958647.28 | 1106600.12 | 798831.70 | 810927.88 | |
| Methionine | 22075138.25 | 6718432.50 | 12851329.75 | 10635079.12 | 17201338.50 | |
| Methoxamine | 400626.36 | 454042.82 | 470581.99 | 451270.30 | 448469.19 | |
| Methylisoeugenol | 1527451.84 | 1510935.16 | 1457285.47 | 1555163.12 | 1500245.47 | |
| Met/Met/Arg/Ser/Trp | 326020.68 | - | 561838.95 | 386145.54 | 250707.01 | |
| Met/Met/Val/Pro | 317364.10 | 216007.07 | 831562.88 | 435760.26 | 275581.09 | |
| Met/Pro | 458910.13 | 460639.93 | 545430.47 | 937324.73 | 1138504.94 | |
| mupirocin H | 2213745.84 | 2154873.62 | 2305317.66 | 2175006.56 | 2159059.12 | |
| Muramic acid | 388565.30 | 509692.55 | 632066.66 | 386204.00 | 403388.73 | |
| N-(1-Deoxy-1-fructosyl)leucine | 1304504.63 | 371585.31 | 449051.60 | 382737.20 | 614419.69 | |
| N2-(2-Carboxyethyl)arginine | 828467.88 | 442248.55 | 411574.48 | 722183.58 | 603446.95 | |
| N-(3-acetamidopropyl)pyrrolidin-2-one | 561166.83 | 756939.83 | 638481.78 | 988528.45 | 758565.11 | |
| N4-Acetylaminobutanal | 40650000.00 | 45925000.00 | 37200000.00 | 49350000.00 | 44050000.00 | |
| N6-Acetyl-L-lysine | 345954.10 | 504860.51 | 385823.86 | 620764.41 | 791892.20 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 427845.08 | 365880.53 | 487179.82 | 449192.76 | 418723.12 | |
| N(6)-Methyllysine | 289594.91 | 317045.64 | 191942.11 | 314029.11 | 330905.39 | |
| "N6,N6,N6-Trimethyl-L-lysine" | 14298862.50 | 15925000.00 | 14200000.00 | 14675000.00 | 13637771.25 | |
| "N-Acetyl-2,3-dihydro-1H-pyrrole" | 2574332.31 | 2418868.38 | 2564830.50 | 2510294.75 | 2850446.19 | |
| N-acetyl-demethylphophinothricin | 709882.39 | 809344.62 | 710305.60 | 598980.09 | 719561.82 | |
| N-alpha-acetyl lysine methyl ester | 386473.02 | 433100.10 | 539082.30 | 344863.04 | 424610.39 | |
| N-Carbamoyl-L-aspartate | 102525000.00 | 25725000.00 | 4145350.50 | 2067504.84 | 2093754.92 | |
| N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine | 1984225.97 | 2084810.44 | 2138905.94 | 2175157.66 | 2056775.69 | |
| "Ne,Ne dimethyllysine" | 712971.48 | 842340.13 | 475632.16 | 919335.17 | 887453.92 | |
| N-Heptanoylhomoserine lactone | 407360.07 | 402252.12 | 508983.27 | 427898.98 | 392483.73 | |
| N-hydroxyisoleucine | 677449.61 | 380860.70 | 557458.27 | 451138.87 | 482071.75 | |
| N-hydroxy-L-dihomomethionine | 852509.19 | 982235.47 | 770032.95 | 747959.38 | 871353.64 | |
| N-Hydroxy-L-tyrosine | 1204145.44 | 1396186.69 | 1263315.96 | 1078626.42 | 1259495.52 | |
| N-hydroxyvaline | 931508.88 | 963940.11 | 970872.88 | 1028662.33 | 915731.44 | |
| Nicotinic acid | 10703306.00 | 8411225.38 | 5910631.12 | 8753898.00 | 9086359.31 | |
| N-Undecanoylglycine | 763606.45 | 2166864.16 | 1107080.06 | 812440.12 | 743274.59 | |
| octyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | 613858.79 | 699977.73 | 860083.88 | 479972.94 | 349482.19 | |
| Oleamide | 520222.68 | 617614.73 | 1062360.36 | 544607.91 | 568009.20 | |
| olivetol | 4234117.38 | 4860875.75 | 4217210.00 | 4598620.62 | 4436333.88 | |
| O-Methylarmepavine | 1363000.64 | 1139901.22 | 1152856.81 | 949879.25 | 1089177.44 | |
| O-Phosphoethanolamine | 2733166.78 | 2787166.06 | 1089244.08 | 2546420.19 | 2009284.06 | |
| Ornithine | 7853631.25 | 5051356.19 | 5120493.81 | 5918206.81 | 6007867.75 | |
| Ovalicin | 1131148.48 | 1174493.94 | 1144680.78 | 1066851.13 | 1197047.62 | |
| Oxidized glutathione | 12417984.00 | 10283638.25 | 10692040.38 | 13900000.00 | 11100859.25 | |
| p-aminobenzoyl glutamate | 1013811.53 | 550112.98 | 610543.05 | 646875.25 | 577809.24 | |
| Pantothenic acid | 1100872.03 | 355409.30 | 275021.56 | 339470.74 | 536517.93 | |
| PC(31:1) | 13575000.00 | 13525000.00 | 12925000.00 | 15375000.00 | 14700000.00 | |
| PC(32:0) | 60925000.00 | 71150000.00 | 68900000.00 | 64250000.00 | 69475000.00 | |
| PC(32:1) | 31900000.00 | 27900000.00 | 29525000.00 | 40600000.00 | 32100000.00 | |
| PC(32:2) | 3501553.12 | 3258915.44 | 3694449.88 | 4528714.38 | 3957416.94 | |
| PC(34:1) | 409000000.00 | 386000000.00 | 333000000.00 | 419500000.00 | 380250000.00 | |
| PC(34:2) | 40200000.00 | 38650000.00 | 34825000.00 | 47775000.00 | 44400000.00 | |
| PC(36:1) | 40625000.00 | 40725000.00 | 32050000.00 | 46050000.00 | 50975000.00 | |
| PC(36:2) | 48375000.00 | 54725000.00 | 43450000.00 | 56600000.00 | 58300000.00 | |
| PC(36:3) | 25100000.00 | 26725000.00 | 21025000.00 | 25700000.00 | 26475000.00 | |
| PC(36:4) | 21550000.00 | 21800000.00 | 18025000.00 | 24825000.00 | 21400000.00 | |
| PC(38:5) | 26725000.00 | 28200000.00 | 25350000.00 | 25950000.00 | 27450000.00 | |
| PC(38:6) | 7616167.38 | 8238528.88 | 7565310.88 | 7396270.75 | 7313020.50 | |
| PC(40:5) | 10483612.25 | 11125000.00 | 10137042.00 | 9396852.50 | 11850000.00 | |
| PC(40:6) | 7150955.75 | 6913107.50 | 6742942.38 | 7165231.62 | 7300109.50 | |
| PC(40:7) | 2158730.19 | 2236583.47 | 2190864.28 | 2512032.25 | 2301454.31 | |
| PE(34:1) | 17350000.00 | 16450000.00 | 16975000.00 | 18725000.00 | 17050000.00 | |
| PE(34:3) | 4475957.38 | 4036340.06 | 4976709.25 | 4689235.00 | 5597252.62 | |
| PE(35:0) | 34850000.00 | 40925000.00 | 40500000.00 | 40700000.00 | 44800000.00 | |
| PE(36:1) | 24875000.00 | 22050000.00 | 20025000.00 | 26300000.00 | 24525000.00 | |
| PE(36:5) | 2259244.59 | 2457584.78 | 2643389.50 | 2385116.56 | 2305469.22 | |
| PE(37:1) | 200750000.00 | 199500000.00 | 159750000.00 | 230250000.00 | 214500000.00 | |
| PE(37:2) | 42450000.00 | 41850000.00 | 43625000.00 | 48100000.00 | 48250000.00 | |
| PE(38:1) | 22725000.00 | 22550000.00 | 20000000.00 | 25325000.00 | 23975000.00 | |
| PE(38:5) | 5402094.75 | 5533575.75 | 4901623.50 | 5942782.38 | 5200796.75 | |
| PE(39:1) | 87825000.00 | 97600000.00 | 85150000.00 | 101375000.00 | 116500000.00 | |
| PE(39:2) | 59325000.00 | 53125000.00 | 67250000.00 | 62625000.00 | 63600000.00 | |
| PE(39:3) | 21500000.00 | 22650000.00 | 19850000.00 | 24800000.00 | 25025000.00 | |
| PE(40:5) | 3287553.50 | 3637106.00 | 3310086.06 | 3404705.44 | 3914404.94 | |
| PE(41:5) | 11075480.25 | 12375000.00 | 10363643.75 | 12400000.00 | 12600000.00 | |
| pentaethylene glycol | 2502586.83 | 2031253.83 | 2681329.28 | 2501155.20 | 2845242.34 | |
| Phenylalanine | 30972082.25 | 9815236.12 | 20200000.00 | 14879984.00 | 20370433.12 | |
| Phenylethylamine | 15900000.00 | 16825000.00 | 16000000.00 | 16775000.00 | 15850000.00 | |
| phenyl sulfoxide | 989393.43 | 215322.30 | 445176.95 | 180894.91 | 486761.23 | |
| Phosphodimethylethanolamine | 785472.97 | 763252.98 | 321785.28 | 636316.52 | 539953.31 | |
| Phosphonoacetaldehyde | 1465851.41 | 1585556.91 | 887288.47 | 1036093.36 | 1071321.97 | |
| Picolinamide | 64675000.00 | 49375000.00 | 61800000.00 | 48675000.00 | 66475000.00 | |
| Pipecolic acid | 93275000.00 | 20500000.00 | 43800000.00 | 49350000.00 | 45700000.00 | |
| platensimycin | 851216.05 | 324416.32 | 612028.77 | 929417.66 | 507868.81 | |
| Pro/Arg | 639184.46 | 364316.79 | 381515.92 | 866126.59 | 594564.56 | |
| Proline | 262000000.00 | 66450000.00 | 120775000.00 | 99450000.00 | 152875000.00 | |
| Proline betaine | 2150970.31 | 2054811.88 | 1824991.94 | 2319046.31 | 2186331.34 | |
| Pro/Ser | 1103158.73 | 909209.36 | 1177978.16 | 2084591.97 | 1913734.72 | |
| Prostaglandin G2 | 1682014.97 | 1722634.41 | 1683338.53 | 1374083.78 | 1559903.72 | |
| PS(34:0) | 4389435.69 | 5115201.88 | 4556891.19 | 5375147.50 | 5241735.12 | |
| PS(34:1) | 3327746.44 | 3152367.69 | 3323197.88 | 3733005.06 | 3523180.75 | |
| PS(36:0) | 11512854.75 | 16475000.00 | 12725000.00 | 14950000.00 | 14475000.00 | |
| PS(36:1) | 15450000.00 | 15750000.00 | 15175000.00 | 15875000.00 | 15550000.00 | |
| PS(36:2) | 8819354.62 | 8496363.25 | 9065374.25 | 9677939.25 | 9406406.00 | |
| PS(36:3) | 3457525.88 | 3041102.75 | 3386944.69 | 3484632.94 | 3514374.62 | |
| PS(38:4) | 7839403.25 | 7833582.50 | 8364123.38 | 7008732.12 | 7851776.25 | |
| PS(40:5) | 2786975.50 | 2898260.94 | 3052595.56 | 2765564.50 | 2793516.50 | |
| PS(52:0) | 1545431.41 | 1104655.67 | 1477807.81 | 1635001.91 | 1447442.41 | |
| psicoselysine | 5674592.38 | 3953253.62 | 3096136.81 | 4963166.38 | 4440754.12 | |
| pyridine-3-aldoxime | 5028530.75 | 3795621.41 | 5369265.69 | 3893498.62 | 4957719.00 | |
| Pyridoxal | 1097631.08 | 1172990.67 | 1247310.47 | 1009322.05 | 1164543.56 | |
| Pyridoxine | 42799700.69 | 5323477.19 | 9149252.88 | 6275752.62 | 18146693.62 | |
| Quinaldic acid | 5076826.50 | 2875062.75 | 5364383.12 | 2968420.28 | 3338173.84 | |
| quinoline-4-carboxylate | 2758199.64 | 1313688.58 | 2450701.22 | 1730266.30 | 1613398.62 | |
| Rugosal | 2357685.62 | 2768905.94 | 2414926.19 | 2527298.38 | 2471742.00 | |
| Selenium Sulfide | 1823646.59 | 2049644.88 | 2219836.28 | 1773694.66 | 2355406.03 | |
| Serine | 4971406.06 | 1857290.03 | 3563504.97 | 2929624.38 | 2920535.72 | |
| Ser/Val | 179620.93 | 184284.42 | 314334.76 | 278829.80 | 283827.23 | |
| SM(d34:1) | 16825000.00 | 17675000.00 | 18775000.00 | 16800000.00 | 17375000.00 | |
| sn-glycero-3-Phosphoethanolamine | 499055.08 | 633529.62 | 662360.62 | 807762.52 | 646085.39 | |
| Stealthin C | 79525000.00 | 41100000.00 | 43125000.00 | 79975000.00 | 54725000.00 | |
| Succinyladenosine | 1338062.19 | 1042530.23 | 844835.58 | 1273020.20 | 1126371.23 | |
| Sulfinpyrazone sulfide | 503849.01 | 537072.85 | 440429.47 | 526808.45 | 451441.58 | |
| Targinine | 479578.16 | 321128.38 | 212838.87 | 393256.94 | 374330.57 | |
| Tenuazonic acid | 403027.37 | 524480.59 | 482908.59 | 421563.29 | 409175.20 | |
| Tetraethylene glycol | 13753340.88 | 11293455.62 | 11377402.25 | 14991444.44 | 18086147.75 | |
| TG(48:1) | 693129.38 | 630015.12 | 677571.71 | 843848.69 | 732543.47 | |
| TG(52:2) | 9498334.94 | 9986596.12 | 7355155.62 | 8060534.69 | 6679152.25 | |
| TG(56:6) | 1216500.05 | 1631847.69 | 1481195.66 | 1045150.53 | 1114093.52 | |
| Thiamine pyrophosphate | 572133.34 | 527876.26 | 516533.65 | 640626.28 | 589256.98 | |
| Thienodihydropyridinium | 576750.05 | 556115.07 | 794616.55 | 592827.04 | 428088.68 | |
| Thr/Ala | 161851.73 | - | 274675.32 | 203176.07 | 184247.77 | |
| Thr/Ala/Ala | 458000.91 | 331145.48 | 639107.38 | 599717.86 | 429480.64 | |
| Threonine | 19525000.00 | 8051948.00 | 12461317.75 | 10827047.88 | 10768702.50 | |
| Thr/Gly | 168015.08 | 117086.30 | 446153.19 | 243006.68 | 173827.85 | |
| Thr/Pro | 25575000.00 | 11490887.12 | 27025000.00 | 25250000.00 | 21250000.00 | |
| Thymol | 1107163.62 | 1474554.53 | 1124825.47 | 989976.03 | 1023205.03 | |
| Thymyl acetate | 1805876.03 | 2346382.28 | 1893671.03 | 1782777.81 | 1634371.88 | |
| trans-Hex-2-enoic acid | 3169739.88 | 3772692.78 | 3143050.75 | 3350709.62 | 3239005.38 | |
| Traumatin | 1153782.38 | 1250629.25 | 1073933.06 | 1231221.19 | 1052755.89 | |
| trichotriol | 1022125.42 | 1033188.97 | 1086332.89 | 930389.25 | 1011565.58 | |
| tridecadienoic acid | 1994074.03 | 3533286.06 | 4712536.44 | 1793621.34 | 1902897.88 | |
| Triethanolamine | 758413.00 | 598648.69 | 749588.62 | 703630.26 | 670567.48 | |
| triethylene glycol | 4793848.31 | 5194502.12 | 5015747.12 | 5077747.12 | 4942933.88 | |
| Trp/Arg/His | 410928.75 | 248655.24 | 205887.37 | 378261.61 | 272299.40 | |
| Trp/Pro | 2402499.56 | 945948.75 | 4908576.75 | 2815687.31 | 1806714.81 | |
| Umbelliferone | 622260.16 | 545518.86 | 636872.53 | 586211.76 | 604972.45 | |
| Urocanic acid | 3875278.62 | 2644996.59 | 3146620.62 | 3934601.62 | 2682151.41 | |
| Val/Ala | 654327.23 | 380815.41 | 1351752.66 | 805447.50 | 565722.59 | |
| Val/Asp | 1003710.19 | 669088.95 | 1520270.19 | 1293941.52 | 1079533.81 | |
| Val/Gly | 387991.84 | 264192.76 | 809398.49 | 440117.98 | 395568.79 | |
| Valine | 45925000.00 | 22225000.00 | 39225000.00 | 26675000.00 | 30225000.00 | |
| Val/Pro | 4364475.56 | 1673353.56 | 8966582.38 | 5450846.75 | 3933590.75 | |
| "xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole" | 4425514.25 | 2903371.94 | 3268164.81 | 2864992.53 | 3648426.56 |
Factors:
| F1 | Sample source:iRBC | Treatment:Atovaquone |
| F2 | Sample source:iRBC | Treatment:C25 |
| F3 | Sample source:iRBC | Treatment:C25_0HR_control |
| F4 | Sample source:iRBC | Treatment:DMSO |
| F5 | Sample source:iRBC | Treatment:PS027 |
