Data for ST001071
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,2,3-trihydroxybenzene | - | 54.30 | - | - | - | - | - | - | - | - | - | - | - | - | 126.00 | - | - | - | - | - | - | - | 263.20 | - | - | - | - | - | - | - | 210.40 | - | |
| 1,3-diaminopropane | 340.40 | 395.10 | 405.80 | 1260.65 | 311.80 | 591.70 | 1040.00 | 850.90 | 1712.60 | 1306.00 | 892.30 | 1953.30 | 895.10 | 610.70 | 1441.40 | 574.65 | 1716.30 | 1191.90 | 2764.50 | 1316.40 | 1966.40 | 2485.00 | 1952.10 | 1732.20 | 999.30 | 1589.30 | 948.50 | 506.20 | 1912.30 | 2031.50 | 599.90 | 747.90 | |
| 1,6-Anhydroglucose | - | - | - | 973.85 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 282.40 | 3158.70 | - | 871.90 | - | 643.90 | 228.80 | 501.60 | 831.30 | 193.70 | - | 239.90 | - | - | |
| 1-Benzylglucopyranoside | 1432.30 | 570.50 | 510.60 | 808.85 | 1236.90 | 347.70 | 969.50 | 679.30 | 1044.90 | 1497.60 | 1722.40 | 3586.00 | 1754.90 | 1071.00 | 1292.10 | 1549.55 | 1298.25 | 886.60 | 4759.80 | 3000.40 | 1542.50 | 1900.80 | 3067.70 | 2735.30 | 1016.80 | 2390.60 | 2290.75 | 1556.30 | 2057.70 | 1732.40 | 1274.00 | 1259.10 | |
| 1-Methyl-a-D-glucopyranoside | 5027.70 | 2816.80 | 997.50 | 5021.60 | 3670.50 | 4490.90 | 4222.70 | 1764.90 | 5031.50 | 3507.40 | 5691.90 | 10023.70 | 5455.00 | 3512.40 | 3383.20 | 2410.85 | 5419.80 | 2025.50 | 7057.60 | 6373.10 | 9310.70 | 1531.10 | 5062.40 | 7000.00 | 3331.40 | 7807.80 | 9719.80 | 3947.20 | 2973.00 | 5606.80 | 2742.60 | 4016.50 | |
| 1-Monohexadecanoylglycerol | 3793.00 | 1446.70 | 2368.80 | 3741.55 | 4293.40 | 3149.30 | 4117.60 | 2233.50 | 6695.80 | 3146.10 | 7869.30 | 11569.00 | 7625.90 | 2053.60 | 6275.80 | 4028.65 | 6437.10 | 2974.80 | 4957.20 | 9665.50 | 4874.60 | 5402.20 | 8111.00 | 6083.20 | 3163.30 | 5123.60 | 4963.00 | 3178.70 | 7574.40 | 5242.10 | 2654.50 | 4069.20 | |
| 1-Monooctadecanoylglycerol | - | - | - | - | - | - | - | - | - | - | 1008.70 | - | 445.10 | - | 602.80 | - | - | - | 571.50 | - | - | - | - | - | - | - | - | 186.40 | - | - | - | - | |
| 2-Hexadecanoylglycerol | - | - | - | - | - | - | - | - | - | - | - | 1427.70 | - | - | - | - | - | - | 2377.30 | - | - | - | - | - | 267.80 | - | - | 407.10 | 982.30 | - | - | - | |
| 2-Methylglutaric acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1021.70 | - | - | 1872.70 | 242.80 | - | - | - | - | 78.90 | - | |
| 2-METHYLMALIC ACID | 377.30 | 257.20 | 2091.40 | 2524.55 | 4507.40 | 2468.70 | 3131.60 | 3362.80 | 303.50 | 601.00 | 221.10 | 171.30 | 345.80 | 323.40 | 392.70 | 261.10 | 770.80 | 421.10 | 715.70 | 1678.60 | 841.40 | 778.20 | 733.00 | 1002.00 | 437.40 | 1257.50 | 608.25 | 2491.20 | 3346.10 | 537.40 | 1794.30 | 2699.10 | |
| 2-METHYLSERINE | - | - | - | - | - | 117.30 | - | - | - | - | - | 249.00 | - | - | - | 197.25 | - | 158.00 | 478.10 | - | - | - | 53.40 | - | - | 148.90 | 115.00 | - | - | - | 70.10 | 130.20 | |
| 2-methylsuccinic acid | 152.30 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 885.10 | 272.90 | - | 1324.20 | 180.10 | - | - | - | - | 108.60 | 72.40 | |
| 2-O-Glycerol-alfa-d-galactopyranoside | 354575.50 | 119261.90 | 121118.30 | 234528.10 | 277920.90 | 348743.00 | 248903.30 | 190016.50 | 451952.60 | 380679.30 | 267276.10 | 760830.00 | 413596.60 | 179955.20 | 526040.50 | 175229.40 | 378912.60 | 339516.30 | 504079.80 | 238437.30 | 635765.60 | 562602.10 | 432370.90 | 513571.10 | 207972.90 | 379366.00 | 514901.40 | 235092.50 | 159717.90 | 298022.00 | 203946.00 | 225526.90 | |
| 2-O-Glycerol-b-D-galactopyranoside | 253.90 | - | - | 469.85 | 529.20 | - | 256.50 | 211.60 | 517.50 | 670.00 | 482.10 | 499.00 | 303.90 | 729.20 | 908.30 | 842.85 | 1473.45 | 1453.80 | 1655.40 | - | 1476.60 | 1500.90 | 1102.30 | 1451.00 | 317.70 | 954.60 | 939.70 | 847.90 | 2805.80 | 418.80 | 1296.60 | 1069.10 | |
| 2-O-Glycerol-b-D-glucopyranoside | 1006.90 | 634.80 | - | 1085.85 | 1273.00 | 719.60 | 1130.50 | 643.80 | 1248.10 | 808.40 | 1390.60 | 1908.20 | 1739.60 | 688.80 | 1424.50 | 766.05 | 3437.40 | 1135.40 | 3436.00 | 3271.70 | 2305.00 | 1952.60 | 3122.40 | 2913.90 | 1696.10 | 1843.10 | 1577.95 | - | 1976.90 | 1692.80 | - | - | |
| 2-Piperidinecarboxylic acid | - | - | - | - | - | - | - | - | 32.70 | 33.30 | 41.90 | 45.20 | 49.00 | 50.50 | 42.80 | 33.25 | - | - | - | - | 227.70 | - | - | - | - | - | - | - | 86.90 | - | - | - | |
| 2-Propylheptanol | 85.20 | 101.50 | - | 126.60 | - | 52.80 | - | - | - | 144.60 | 204.10 | - | 99.00 | - | 220.00 | 206.25 | - | 89.20 | 386.60 | - | 174.70 | - | - | - | 53.60 | - | - | - | 73.60 | - | 36.10 | - | |
| 3,7,11,15-Tetramethyl-2-hexadecen-1-ol | 11335.80 | 11269.60 | 21174.50 | 10183.45 | 21782.70 | 10687.60 | 11566.80 | 10628.20 | 25336.80 | 11981.40 | 29310.20 | 10139.20 | 14381.40 | 10298.10 | 18779.30 | 12948.10 | 10197.95 | 3805.40 | 6602.50 | 36069.50 | 6346.00 | 5756.30 | 3233.70 | 5260.40 | 2932.20 | 19210.80 | 23998.00 | 17670.40 | 33376.60 | 3402.70 | 15335.20 | 19600.90 | |
| 3-Heptenedioic acid, 4-hydroxy | 539.30 | - | - | - | - | 321.60 | - | 1425.60 | 392.70 | 738.60 | 277.30 | 451.50 | 572.00 | 833.70 | 718.00 | 290.60 | 551.80 | - | - | - | - | 387.00 | - | - | - | - | - | - | - | - | - | 517.90 | |
| 3-hydroxy-6-methylpyridine | 85.70 | - | - | 114.95 | - | - | 77.90 | - | 142.40 | 159.80 | 216.70 | 228.60 | 116.20 | 51.20 | 95.80 | 98.85 | - | 190.40 | 343.70 | - | - | - | - | 183.40 | 79.10 | 118.40 | - | 45.40 | - | 145.50 | 72.20 | 63.00 | |
| 3-O-coumaroyl-D-quinic acid | 1664.20 | 882.00 | 1216.90 | 861.95 | 5542.10 | 3220.80 | 4933.20 | 5570.60 | 2715.60 | 3001.60 | 3295.80 | 3763.10 | 2335.20 | 4459.90 | 3271.80 | 4189.10 | 2962.10 | 2993.80 | 4943.40 | 3772.90 | 3831.40 | 9135.80 | 5359.70 | 3141.00 | 1667.00 | 5057.80 | 2269.25 | 1594.20 | 9440.00 | 3431.30 | 2869.50 | 4291.30 | |
| 4-aminobityric acid | 30260.90 | 27460.00 | 56152.80 | 82380.60 | 90552.60 | 52570.50 | 60757.80 | 63023.80 | 116896.40 | 76961.30 | 75371.00 | 79911.70 | 49739.80 | 55827.60 | 88797.70 | 63574.25 | 62835.60 | 70210.40 | 105239.70 | 88939.50 | 73672.20 | 133779.80 | 99760.10 | 43860.20 | 35326.90 | 134988.50 | 82864.80 | 61886.50 | 89008.10 | 41576.20 | 51574.30 | 78729.90 | |
| 4-methylaminobutyric acid | 4014.20 | 364.40 | 3147.50 | 25855.95 | 11449.50 | 9769.20 | 10838.00 | 5020.50 | 37688.00 | 9913.90 | 15286.00 | 7754.00 | 32889.80 | 15349.10 | 20889.20 | 15872.00 | 25325.65 | 21467.20 | 20978.40 | 12382.10 | 21936.40 | 28783.00 | 33186.90 | 51317.70 | 36079.30 | 44111.60 | 16152.50 | 7837.50 | 4282.90 | 52755.00 | 9617.50 | 2790.20 | |
| 4-O-coumaroyl-D-quinic acid | - | - | - | - | 650.20 | - | - | 425.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 942.60 | 846.20 | - | - | - | - | 326.80 | 626.10 | - | - | 427.60 | |
| 5-hydroxymethylfurfural | 162.80 | 180.60 | 206.40 | 692.80 | 377.90 | 728.00 | 106.90 | 364.60 | 270.80 | 284.70 | 507.80 | 893.90 | 478.10 | 414.50 | 658.90 | 985.20 | 738.50 | 601.00 | 8733.50 | 607.40 | 3703.90 | 173.00 | 1900.80 | 2036.60 | 399.40 | 327.80 | 1167.55 | 290.40 | 3278.40 | 1491.40 | 3907.60 | 958.00 | |
| 5-Hydroxytryptamine | - | - | - | 147.00 | - | - | - | - | - | - | - | - | - | - | - | 160.25 | 553.20 | - | - | - | - | - | - | - | - | - | 125.15 | 87.30 | - | - | 101.20 | 94.30 | |
| 9,12,15-Octadecatrienoic acid | 61958.10 | 34688.50 | 41347.20 | 52633.20 | 62513.40 | 63603.60 | 52197.80 | 50420.30 | 204225.30 | 67877.50 | 101744.80 | 130939.60 | 71166.20 | 58780.00 | 102779.30 | 58580.10 | 65862.35 | 63768.30 | 147144.40 | 78716.10 | 57252.70 | 164080.50 | 123078.40 | 57734.70 | 29021.40 | 79958.30 | 85262.25 | 66351.50 | 69160.70 | 48881.90 | 43099.40 | 58833.00 | |
| 9,12,15-Octadecatrienoic acid, ethyl ester | - | - | - | 5926.30 | - | - | - | - | 19123.20 | - | 2812.70 | 4206.00 | - | - | 3797.50 | - | - | - | - | - | - | 3408.70 | - | - | - | - | - | - | - | - | - | - | |
| 9,12,15-Octadecatrienoic acid, methyl ester | 8427.70 | - | - | 72861.80 | - | 9690.30 | 8539.40 | - | 62038.60 | - | 10902.10 | 112065.50 | 36197.00 | - | - | 7748.40 | 11310.50 | 11884.90 | 34753.80 | - | 11316.80 | 16137.30 | 11052.30 | 46413.80 | 20744.90 | 25777.90 | 27066.10 | 9029.00 | - | 36877.40 | 5738.80 | - | |
| 9,12-Octadecadienoic acid | 28482.10 | 16106.90 | 19058.80 | 28196.10 | 38425.00 | 23611.30 | 29419.00 | 22440.00 | 68168.50 | 28729.60 | 58690.70 | 61235.10 | 27907.70 | 24133.70 | 48285.80 | 28323.45 | 33035.45 | 21775.90 | 80300.00 | 50454.80 | 30180.20 | 57450.90 | 59176.50 | 31243.30 | 23062.20 | 33197.40 | 34462.85 | 25664.60 | 45820.00 | 23498.00 | 16690.50 | 29076.90 | |
| 9,12-Octadecadienoic acid, ethyl ester | - | - | - | 487.05 | - | - | - | - | 3558.70 | - | - | 1019.20 | 422.30 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 9,12-Octadecadienoic acid, methyl ester | 2800.60 | 2309.00 | 1882.40 | 1743.40 | 1548.70 | 3306.00 | 2709.20 | 1738.50 | 14467.10 | 863.40 | 6068.90 | 34190.10 | 9794.40 | 2460.50 | 4593.50 | 4592.15 | 2117.10 | 3387.20 | 1364.60 | 2115.40 | 3862.10 | 1842.00 | 925.60 | 1409.20 | 6787.30 | 8533.90 | 4659.85 | 2643.50 | 1424.30 | 11617.90 | 2004.90 | 1889.30 | |
| 9-Hexadecenoic acid | - | - | - | - | - | - | - | - | 1259.60 | - | 4830.00 | 4082.80 | 1332.50 | 2377.10 | - | - | 2592.70 | 2230.40 | 5800.80 | - | - | 6084.20 | 6135.40 | - | 2777.20 | - | 3478.55 | 3201.40 | 3758.60 | - | 2440.60 | 3250.90 | |
| 9-Octadecenoic acid | 248.30 | - | - | 107.05 | 122.40 | 111.00 | 258.80 | 151.40 | 332.80 | 201.40 | 296.20 | 480.40 | 117.70 | 280.10 | 113.00 | 188.75 | 113.00 | - | - | - | - | 674.00 | 232.30 | - | 323.20 | - | 380.85 | - | 118.60 | - | 55.70 | 113.70 | |
| aconitic acid | 180616.90 | 92109.40 | 120684.20 | 53889.25 | 83806.60 | 80120.50 | 109837.70 | 58521.60 | 93779.90 | 112508.50 | 46513.80 | 59078.60 | 81834.80 | 117208.90 | 122462.10 | 109403.75 | 99429.50 | 82313.80 | 102909.50 | 65769.50 | 217764.30 | 139926.70 | 367095.30 | 165230.30 | 47458.60 | 106332.80 | 151343.15 | 142270.50 | 166539.20 | 48426.00 | 178770.30 | 171132.90 | |
| Adenine | - | - | 13062.40 | 20671.55 | 13632.30 | 6130.20 | 8660.30 | 9045.30 | - | - | 16465.00 | 23201.10 | 8947.60 | 13288.10 | - | 9426.85 | - | 37446.70 | 58222.30 | - | - | 24284.20 | - | 50781.40 | 9514.80 | 25363.00 | 11824.80 | - | - | 38783.40 | 9446.10 | 9569.50 | |
| Adipic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1729.40 | 1909.80 | - | 612.00 | - | - | - | 729.80 | - | 441.70 | - | |
| a-Ketoglutaric acid | 2848.20 | 1559.30 | 433.00 | 1025.80 | 326.00 | 586.80 | 780.30 | 1690.70 | 220.50 | 598.60 | 189.80 | 177.20 | 192.20 | 276.20 | 163.00 | 360.50 | 1584.65 | 434.70 | 2006.00 | 1294.80 | 834.70 | 1832.30 | 2261.90 | 1410.90 | 279.20 | 434.00 | 617.70 | 363.90 | 1122.60 | 434.20 | 664.50 | 1389.90 | |
| Alanine | 24582.80 | 6765.70 | 25402.50 | 34946.85 | 27411.60 | 20868.40 | 7571.40 | 12492.00 | 14140.90 | 12545.40 | 16078.90 | 62954.80 | 21162.20 | 26498.10 | 13546.50 | 19312.85 | 22860.35 | 20229.00 | 55751.60 | 24752.60 | 25460.50 | 33602.50 | 16178.70 | 55084.50 | 32948.00 | 62489.80 | 28072.40 | 12232.30 | 14021.00 | 40523.90 | 12626.00 | 20009.90 | |
| Allantoin | - | - | - | 394.70 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2621.40 | - | - | - | - | - | 9430.80 | - | - | |
| a-mehtylgalactosid | - | 2072.50 | - | 14294.15 | 16803.90 | - | 12762.10 | 11746.20 | 47825.00 | 2655.60 | 23232.20 | 36420.50 | 19243.50 | 10106.10 | 27290.60 | 7293.15 | 17799.05 | 13638.80 | 25903.50 | 24209.00 | 16676.20 | 16023.10 | 18035.50 | - | - | 28008.40 | 21361.85 | 7610.40 | 8555.30 | - | 15751.00 | 4040.10 | |
| arabinose | 8579.90 | 4941.20 | 6295.60 | 6597.90 | 12027.20 | 5840.90 | 7852.40 | 6267.20 | 8408.30 | 7039.30 | 15370.70 | 16873.30 | 6089.00 | 6991.10 | 10652.60 | 9457.20 | 10202.30 | 15522.60 | 18497.40 | 41168.00 | 10367.10 | 26784.20 | 28905.50 | 13035.60 | 4010.90 | 22699.50 | 13619.30 | 9452.20 | 16741.30 | 6922.80 | 9390.00 | 10337.30 | |
| arabitol | 1067.50 | 650.30 | 1395.90 | 2087.20 | 2807.60 | 1910.70 | 1914.50 | 2521.60 | 5504.80 | 2117.90 | 3764.00 | 5740.30 | 1205.30 | 1673.00 | 3723.50 | 2653.45 | 4015.30 | 2377.30 | 6907.60 | 3961.70 | 3267.60 | 3264.60 | 3116.20 | 2932.10 | 973.30 | 2086.40 | 2163.60 | 1167.60 | 1863.50 | 2077.80 | 1373.70 | 2440.80 | |
| Ascorbic acid | 949.70 | 145.70 | 1042.60 | 1730.25 | 898.00 | 310.40 | 430.70 | 430.70 | 156.40 | 194.90 | 466.80 | 292.80 | 463.80 | 148.70 | 468.60 | 283.10 | 414.05 | 1351.90 | 3051.70 | 1419.40 | 1199.80 | 1628.40 | 1510.10 | 1807.90 | 696.70 | 441.70 | 736.65 | 756.50 | 532.60 | 1642.70 | 593.40 | 411.40 | |
| Asparagine | - | - | 1871.30 | 1439.90 | 1605.90 | 1124.10 | - | - | - | - | - | - | - | - | - | 515.20 | - | - | - | - | - | 15009.60 | 1808.10 | 22037.00 | 1851.10 | 2928.20 | - | - | 14199.10 | 66079.80 | - | - | |
| Aspartic acid | 12458.40 | 12167.60 | 11446.70 | 14745.95 | 30277.80 | 20098.90 | 13181.90 | 16468.70 | 4184.40 | 18470.40 | 3570.90 | 8210.90 | 7583.80 | 8119.10 | 5464.30 | 16045.40 | 25831.80 | 18115.40 | 25257.70 | 11841.40 | 33738.10 | 40574.70 | 15792.80 | 17408.60 | 17539.80 | 34547.60 | 15862.20 | 2105.10 | 5983.60 | 5533.40 | 10616.30 | 5383.30 | |
| a-Tocopherol | 5610.60 | 1650.00 | 4496.50 | 1681.00 | 2585.10 | 2261.30 | 1613.90 | 1558.20 | 3383.50 | 1908.60 | 6360.20 | 1237.50 | 3327.80 | 3088.60 | 2781.20 | 1894.45 | 2716.15 | 3129.10 | 15754.20 | 7194.10 | 4887.60 | 4675.50 | 9081.50 | 9190.20 | 3388.40 | 7034.80 | 7424.50 | 4464.50 | 7806.80 | 5524.70 | 3759.70 | 4037.00 | |
| Azelaic acid | 689.70 | 481.80 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1257.90 | - | - | - | - | - | 787.10 | - | |
| B-ALANINE | 333.90 | 257.70 | 428.10 | 391.10 | 1447.00 | 795.30 | 837.80 | 636.50 | 1336.50 | 1021.70 | 791.80 | 269.40 | 670.60 | 562.90 | 705.40 | 852.10 | 640.05 | 534.60 | 391.60 | 1162.40 | 858.20 | 1475.60 | 1680.70 | 947.40 | 232.20 | 907.40 | 746.00 | 524.70 | 1064.50 | 164.70 | 980.40 | 1164.00 | |
| Benzoic acid | - | - | - | 70.80 | 47.00 | - | - | 40.90 | - | - | - | - | - | - | - | - | - | - | - | 74.20 | 236.70 | 944.10 | - | - | 111.70 | - | 116.30 | 35.10 | 137.10 | - | 139.70 | - | |
| Benzoic acid, 2,6-dihydroxy | 481.00 | - | 533.80 | 407.75 | 368.90 | 231.50 | - | - | 447.70 | 199.80 | 442.60 | 889.60 | 413.50 | 268.90 | 378.50 | 344.75 | 374.35 | 357.60 | 1531.30 | 628.30 | 630.40 | 842.40 | 1155.10 | 1284.30 | 298.80 | 676.20 | 654.05 | 413.20 | 941.40 | 748.80 | 232.30 | 355.00 | |
| b-Sitosterol | 22285.40 | 10914.00 | 30790.70 | 15645.30 | 25083.10 | 15167.50 | 16788.30 | 14207.20 | 29798.20 | 14191.20 | 36229.20 | 15146.10 | 19169.30 | 16558.50 | 24739.70 | 19015.55 | 22284.70 | 15295.50 | 61558.00 | 45772.60 | 26102.40 | 27800.90 | 36366.90 | 25880.60 | 15357.30 | 30319.80 | 25932.00 | 19121.60 | 28797.50 | 18578.60 | 13760.30 | 18491.20 | |
| b-Tocopherol | 198.30 | - | - | 101.80 | - | - | - | - | - | - | 164.00 | - | - | - | - | - | - | - | - | - | 140.10 | - | - | - | - | - | 129.10 | 97.50 | - | - | - | - | |
| Cadaverine | - | - | - | 144.35 | - | - | - | - | - | - | - | - | - | - | - | - | - | 26.40 | - | - | - | - | - | - | - | - | - | - | - | 280.50 | 24.20 | - | |
| CAFFEIC acid | 1736.00 | 570.60 | 2565.30 | 1350.20 | 2905.70 | 2312.60 | 3208.00 | 2220.40 | 5053.10 | 1681.90 | 3651.60 | 5614.10 | 2679.00 | 2130.10 | 3788.40 | 2243.50 | 2284.30 | 2041.90 | 3589.40 | 4015.70 | 1671.40 | 1702.20 | 1429.10 | 2807.80 | 1427.40 | 1655.40 | 1930.55 | 1204.50 | 1380.10 | 1079.70 | 732.50 | 1687.80 | |
| Campesterol | 4351.50 | 1860.60 | 4706.80 | 2696.30 | 4162.00 | 3117.80 | 2650.10 | 2436.90 | 4444.10 | 1110.10 | 6182.70 | 4378.10 | 4102.80 | 2898.70 | 4504.10 | 2054.60 | 3061.10 | 2754.20 | 2940.10 | 7170.40 | 3882.30 | 5281.40 | 5551.60 | 4880.60 | 2646.40 | 6767.60 | 4942.80 | 3717.20 | 5352.60 | 3285.80 | 2815.70 | 3629.50 | |
| cellobiose | 530.80 | 438.30 | 878.20 | 3607.70 | 1259.60 | 3212.80 | 4209.50 | 1454.80 | 8903.10 | 1904.50 | 3358.90 | 1167.30 | 2075.90 | 849.80 | 7825.50 | 1640.85 | 6645.55 | 7417.40 | 6696.60 | 2282.30 | 3444.30 | 2302.20 | 4409.50 | 3770.40 | 1643.50 | 2965.10 | 2760.65 | 952.20 | 8336.80 | 13205.40 | 5660.60 | 1131.90 | |
| chlorogenic acid | 180.30 | - | - | - | 655.00 | 224.40 | - | 208.50 | - | 261.60 | - | 572.80 | - | 224.20 | - | 332.95 | - | - | - | - | - | 803.40 | - | 613.20 | 230.10 | 383.00 | - | 362.80 | - | 202.80 | 121.30 | 283.70 | |
| Cholesterol | 3153.40 | 1876.40 | 4981.00 | 2138.80 | 3335.70 | 2780.40 | 3151.00 | 1788.10 | 5491.20 | 2508.50 | 4235.20 | 3937.70 | 3447.60 | 2221.50 | 4136.40 | 2070.95 | 2789.70 | 2135.20 | 8067.50 | 4862.10 | 3261.00 | 3559.90 | 3721.60 | 5772.50 | 2019.20 | 3458.80 | 3440.10 | 3018.60 | 4156.00 | 3156.80 | 2045.10 | 1948.40 | |
| citraconic acid | - | - | 243.80 | 147.90 | 55.80 | - | - | 37.60 | - | - | 118.20 | 117.10 | - | - | - | - | 173.65 | 103.40 | 197.90 | 288.20 | - | 229.10 | - | 125.90 | 21.90 | 110.30 | - | - | - | - | - | 49.70 | |
| citric acid | 27827.00 | 12832.80 | 21533.10 | 32227.10 | 19258.70 | 13196.80 | 23986.90 | 21189.00 | 11194.30 | 13959.30 | 27592.30 | 19867.50 | 17853.70 | 17183.90 | 18917.80 | 13772.25 | 22930.45 | 18356.10 | 83027.00 | 45464.00 | 23017.50 | 40105.90 | 37509.40 | 16674.00 | 16022.20 | 39469.90 | 26661.65 | 24489.30 | 27517.40 | 8495.40 | 17291.20 | 22715.80 | |
| cryptochlorogenic acid | 22744.90 | 1463.20 | 3927.60 | 30598.10 | 1763.30 | 24874.30 | - | 8329.10 | 41990.80 | 15343.00 | 24363.90 | 18661.10 | 1909.50 | 16158.40 | 2804.80 | 2189.85 | 7762.55 | - | - | 24959.10 | 6230.20 | 6623.70 | 8642.00 | 7708.90 | - | - | 37038.75 | 16362.60 | 10517.10 | 6293.50 | - | 5404.90 | |
| CYSTEINE | - | - | - | 86.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 210.30 | - | - | - | - | - | 130.70 | - | - | |
| Dehydroascorbic acid | 2812.80 | 1200.40 | 2150.80 | 4204.40 | 3530.80 | 1849.30 | 4166.80 | 2979.20 | 6766.70 | 4142.50 | 4708.10 | 3519.20 | 2997.40 | 2401.30 | 3438.80 | 3676.20 | 7564.50 | 4600.70 | 3123.30 | 5726.50 | 4788.70 | 6294.10 | 6062.00 | 8338.70 | 2714.20 | 5707.30 | 3530.15 | 2835.30 | 4329.60 | 8398.90 | 3359.90 | 2288.80 | |
| Digalactosylglycerol | 235233.00 | 72868.20 | 106732.80 | 214121.10 | 217749.30 | 382676.30 | 199371.60 | 161967.30 | 375604.50 | 304514.90 | 221282.90 | 658373.50 | 375384.10 | 151606.90 | 375207.90 | 98501.25 | 305080.10 | 332631.30 | 408691.40 | 182955.90 | 456024.70 | 386457.30 | 271030.40 | 376789.70 | 175300.40 | 316391.50 | 454669.30 | 172326.20 | 152143.10 | 322268.30 | 162329.60 | 168000.00 | |
| Docosanoic acid | 710.80 | 238.30 | - | - | 523.10 | 226.80 | - | - | 513.40 | 391.30 | 774.90 | 639.50 | 351.90 | 213.20 | 689.10 | 405.10 | 368.55 | - | 507.70 | - | - | - | 588.60 | - | 208.70 | - | 406.00 | 420.20 | 455.60 | - | 241.90 | 315.00 | |
| Docosanol | - | - | - | - | - | - | 150.90 | - | - | - | - | - | 139.40 | - | 153.50 | - | 53.60 | 128.90 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Dodecanoic ACID | 469.50 | 104.60 | 494.60 | 132.80 | 209.30 | 112.20 | 224.20 | 86.00 | 405.90 | 201.00 | 526.60 | 315.20 | 455.90 | 166.40 | 154.10 | 433.55 | 323.95 | 203.80 | 1157.30 | 471.50 | 533.20 | - | 1350.20 | 446.20 | 157.20 | - | 521.00 | 315.90 | 961.70 | - | 364.30 | 225.80 | |
| Dodecanol | 117.50 | 31.50 | 56.40 | 20.50 | 45.30 | 47.40 | 110.70 | 60.00 | 293.10 | 133.20 | 68.80 | 285.60 | 80.30 | 94.40 | 159.30 | 103.05 | 143.10 | 173.00 | 286.80 | 119.70 | 184.80 | 101.50 | 429.70 | 295.30 | 85.90 | 28.60 | 127.00 | 112.10 | 184.30 | 8047.90 | 153.70 | 68.30 | |
| Dotriacontanol | 4503.40 | 3329.10 | - | 7850.90 | 20432.00 | 9154.70 | 9277.40 | 5018.20 | 12360.90 | 5706.10 | 23029.30 | 13121.00 | 12030.70 | 6123.10 | 13054.80 | 3405.55 | 15122.40 | 8117.40 | 32917.90 | 22667.40 | 6977.20 | 18962.90 | 32003.80 | 16022.30 | 14594.50 | 12047.00 | 13876.05 | 15821.10 | 31332.90 | 7363.30 | 19457.80 | 15183.80 | |
| Eicosanoic acid | - | - | - | 198.20 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 357.90 | - | - | 265.00 | - | - | - | - | - | - | - | |
| Erythritol | 738.50 | 262.90 | 879.10 | 1372.55 | 1255.20 | 819.60 | 1199.90 | 966.80 | 1916.90 | 1053.90 | 940.80 | 2204.10 | 1110.30 | 798.70 | 1398.10 | 971.40 | 1612.80 | 1011.70 | 1275.70 | 1527.70 | 1659.10 | 1322.70 | 1110.00 | 1007.00 | 840.30 | 1464.40 | 735.15 | 478.30 | 1403.50 | 966.60 | 857.30 | 1024.80 | |
| Erythronic acid | 552.60 | - | - | - | - | 760.40 | - | - | - | - | - | - | - | 386.80 | - | 705.05 | - | - | - | - | - | - | 2402.90 | - | - | - | 839.35 | 490.70 | - | - | 238.20 | - | |
| ERYTHROSE | - | - | 75.10 | 69.10 | 31.50 | 20.20 | 33.20 | 17.60 | - | 59.30 | 125.90 | 1808.80 | 96.60 | 105.40 | - | 858.30 | 88.20 | 132.80 | 800.70 | 143.40 | 917.00 | 71.30 | 335.10 | 166.90 | 74.70 | - | 173.40 | 158.30 | 277.50 | 439.50 | 51.30 | 319.70 | |
| ethanolamine | 22708.20 | 10917.70 | 26975.30 | 23411.70 | 32314.60 | 22608.90 | 27003.60 | 24501.20 | 41402.90 | 34357.80 | 32176.80 | 36321.90 | 32133.10 | 17734.40 | 45168.60 | 33259.85 | 34393.75 | 24961.50 | 34603.40 | 38304.50 | 41001.60 | 47669.20 | 44210.50 | 53035.80 | 21061.80 | 44645.00 | 37193.65 | 22769.70 | 26647.70 | 37607.30 | 18144.60 | 21971.70 | |
| Ethyl phosphoric acid | 3854.20 | 1743.60 | 1408.10 | 2819.05 | 2539.50 | 1630.80 | 2287.40 | 1856.10 | 2698.50 | 1686.70 | 2595.80 | 3991.80 | 2379.20 | 3008.20 | 3267.10 | 3401.60 | 2137.00 | 1400.30 | 3025.30 | 2525.40 | 2826.50 | 3322.10 | 3070.60 | 2234.40 | 2002.90 | 4911.80 | 2788.55 | 2576.10 | 3352.10 | 2049.50 | 1826.80 | 2401.60 | |
| Ferulic acid | 924.00 | 342.10 | 1232.20 | 568.95 | 955.60 | 683.80 | 806.10 | 695.70 | 1050.90 | 1393.00 | 1337.60 | 1609.60 | 709.00 | 730.70 | 1000.20 | 942.00 | 755.35 | 735.00 | 1288.00 | 1193.50 | 755.30 | 910.10 | 1028.00 | 1097.30 | 428.90 | 1227.30 | 837.80 | 635.10 | 1314.60 | 658.80 | 567.90 | 712.90 | |
| fructose | 1245456.80 | 439194.60 | 853342.20 | 1369595.60 | 1651147.50 | 1199735.10 | 1224835.30 | 1078285.20 | 2290155.70 | 1559836.70 | 2696790.30 | 1951205.30 | 1048068.60 | 932285.90 | 2091520.20 | 914769.20 | 2376507.80 | 1598164.80 | 2460028.20 | 2938328.90 | 2521857.20 | 2536147.10 | 3566084.10 | 2944101.40 | 1086895.80 | 2607457.00 | 1484253.20 | 639552.80 | 2536981.00 | 2389389.40 | 976744.00 | 1365539.10 | |
| Fumaric acid | 1023.80 | 535.50 | 729.00 | 1041.75 | 842.10 | 642.50 | 681.40 | 904.90 | 683.00 | 622.70 | 957.70 | 1315.60 | 766.50 | 645.70 | 910.60 | 647.65 | 721.10 | 556.20 | 1042.40 | 1059.60 | 749.70 | 1179.00 | 1421.80 | 1037.10 | 383.90 | 784.30 | 877.50 | 686.90 | 1485.00 | 798.50 | 387.80 | 586.10 | |
| galactitol | 882.30 | 231.60 | - | - | 555.00 | 676.90 | - | 343.40 | 389.60 | 464.40 | 509.50 | 219.40 | 507.60 | 519.80 | 203.60 | 318.95 | 879.95 | 292.70 | 826.80 | 352.00 | 791.30 | 548.80 | 304.20 | 1495.60 | 762.30 | - | 691.80 | 197.10 | 515.30 | 889.10 | 175.50 | - | |
| galactose | 81554.40 | 28355.60 | 35578.60 | 61321.15 | 68078.90 | 90183.20 | 57277.20 | 44928.90 | 149080.50 | 107434.70 | 78484.20 | 123893.70 | 108396.40 | 41189.70 | 187526.20 | 98841.80 | 78378.70 | 125429.70 | 183672.80 | 79121.70 | 216904.70 | 105022.20 | 120428.50 | 141478.70 | 42394.50 | 102994.60 | 76619.30 | 36126.00 | 77362.90 | 118753.00 | 46595.70 | 53234.40 | |
| galacturonic acid | - | 79.20 | - | - | - | - | - | - | - | 274.40 | - | - | - | - | - | 711.50 | - | - | - | - | 592.50 | - | 227.00 | - | - | - | - | - | - | - | 445.50 | - | |
| Gentiobiose | 4198.40 | 1251.50 | - | 4674.00 | 3364.00 | - | - | 2325.00 | - | - | 6319.20 | - | 3554.00 | 4193.00 | - | 5315.30 | - | 5270.20 | 11707.60 | 7518.90 | - | 10916.40 | 13268.10 | 17676.80 | - | 16023.60 | 4911.70 | 4026.40 | - | - | - | 3754.90 | |
| Glucaric acid | 2388.30 | 1699.10 | 1009.20 | 1900.60 | 1286.00 | 1204.80 | 2127.80 | 1054.70 | 748.70 | 1213.60 | 1041.00 | 4530.60 | 819.40 | 781.60 | 1274.50 | 1612.45 | 991.30 | 770.30 | 2061.90 | 986.40 | 3153.60 | 1312.80 | 1534.90 | 1851.80 | 772.00 | 1798.90 | 1450.75 | 894.30 | 778.30 | 465.80 | 684.20 | 1258.10 | |
| GLUCOHEPTULOSE | 1030.80 | 214.50 | - | - | 737.40 | 756.60 | 617.10 | 390.70 | - | 972.00 | 756.80 | 1562.30 | 594.30 | 410.40 | 732.60 | 1207.35 | 940.00 | 872.90 | 1467.80 | 685.10 | 1567.70 | 1034.20 | 1115.00 | 1182.60 | 370.40 | 926.70 | 772.00 | 460.10 | 763.20 | 850.40 | 467.10 | 553.70 | |
| Gluconic acid | 1009.40 | 1248.50 | 1004.20 | 1092.80 | 974.10 | 918.60 | 1229.30 | 1045.90 | 1058.90 | 666.70 | 1638.40 | 2641.10 | 1482.10 | 706.10 | 2135.30 | 1659.55 | 1536.85 | 1615.30 | 3203.40 | 2572.90 | 1196.20 | 2020.00 | 3077.90 | 2266.40 | 832.50 | 2740.40 | 2245.75 | 1772.80 | 1741.00 | 1339.70 | 985.70 | 1114.90 | |
| glucose | 1513546.40 | 1659235.50 | 1149506.30 | 1590834.80 | 2101650.10 | 1539016.50 | 1533801.30 | 1358076.00 | 3541857.50 | 2128375.20 | 2960184.30 | 4706436.20 | 1767891.00 | 1049710.70 | 2912255.90 | 2208632.95 | 2713425.50 | 1991600.10 | 2231668.00 | 3606811.10 | 2926351.20 | 2905677.50 | 3392126.90 | 2992208.40 | 1217710.10 | 2724586.90 | 1759138.90 | 787789.80 | 2517506.90 | 3059553.90 | 977040.80 | 1516397.40 | |
| Glutamic acid | 4012.40 | 2391.40 | 4222.90 | 3391.30 | 4216.10 | 2571.80 | 3641.60 | 5585.60 | 486.50 | 4086.40 | 1929.00 | 2147.30 | 1140.50 | 3603.60 | 1276.70 | 2787.55 | 8556.55 | 4698.60 | 8131.40 | 4342.80 | 6541.50 | 5640.00 | 4013.50 | 4595.80 | 2632.80 | 13008.70 | 1927.90 | 222.80 | 4614.90 | 3455.00 | 2426.30 | 2763.60 | |
| Glutamine | - | - | 6994.30 | 5829.95 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 53174.80 | - | - | - | 8671.40 | - | - | - | 85697.00 | - | - | |
| Glyceraldehyde | 847.90 | 678.80 | 630.70 | 815.45 | 985.60 | 719.20 | 844.30 | 763.70 | 455.90 | 1038.10 | 1069.90 | 369.80 | 994.90 | 224.70 | 903.30 | 331.50 | 1099.75 | 898.90 | 1051.60 | 2291.20 | 1191.50 | 215.20 | 854.70 | 1409.60 | 816.20 | 1429.40 | 119.00 | 118.00 | 132.80 | 98.70 | 123.10 | 652.20 | |
| Glyceric acid | 136726.90 | 67273.70 | 56245.20 | 95844.45 | 100022.90 | 79659.80 | 102138.50 | 86566.70 | 135798.40 | 189026.80 | 106706.40 | 121553.30 | 157156.10 | 150140.90 | 128220.90 | 171041.10 | 163765.75 | 76520.90 | 139856.10 | 156347.70 | 169487.20 | 198958.60 | 164268.40 | 97363.00 | 57205.00 | 168544.90 | 141031.50 | 95576.20 | 128178.20 | 80236.40 | 54170.40 | 81621.00 | |
| glycerol | 85472.40 | 55981.40 | 73206.90 | 97101.60 | 86235.70 | 70886.40 | 68968.00 | 55543.00 | 171861.80 | 76016.50 | 103736.50 | 234738.70 | 96004.70 | 55883.10 | 118491.00 | 88996.65 | 81170.15 | 68867.60 | 146968.60 | 123903.60 | 125089.00 | 117800.50 | 118197.50 | 130301.10 | 65040.00 | 154025.60 | 134722.30 | 81317.60 | 86543.70 | 103358.00 | 56410.40 | 70341.10 | |
| Glycerol-3-p | 1539.70 | 1370.50 | 505.90 | 867.25 | 1594.60 | 982.20 | 691.50 | 773.50 | 1102.00 | 946.70 | 1065.80 | 908.70 | 1478.80 | 1340.20 | 1023.00 | 978.15 | 581.40 | 602.90 | 887.50 | 798.90 | 1116.90 | 1494.80 | 1745.70 | 827.40 | 1336.10 | 3696.10 | 1423.70 | 1098.70 | 1568.00 | 913.70 | 969.60 | 1095.10 | |
| glycine | 22582.70 | 10990.70 | 54277.20 | 40864.70 | 38357.10 | 296.90 | 47633.60 | 42832.60 | 37310.70 | 29470.80 | 22093.30 | 45221.70 | 49395.40 | 30161.70 | 47995.90 | 42118.50 | 48073.10 | 37092.60 | 69756.00 | 36660.20 | 63037.10 | 63247.60 | 29896.70 | 36432.80 | 20274.90 | 45393.80 | 15032.15 | 7668.40 | 40653.20 | 45278.40 | 10984.10 | 14212.90 | |
| Glycolic acid | 1278.00 | 950.50 | 2334.90 | 1256.75 | 1906.50 | 1270.30 | 1538.80 | 1064.80 | 2878.80 | 1567.20 | 2170.80 | 2082.80 | 1966.40 | 910.90 | 2773.20 | 1265.45 | 2247.25 | 1182.00 | 2838.80 | 2472.50 | 1986.70 | 2031.40 | 2610.90 | 1449.70 | 1575.50 | 1778.60 | 1477.65 | 1229.30 | 2321.60 | 1367.80 | 847.80 | 1384.40 | |
| glyoxylic acid | 19633.30 | 43119.60 | 59051.90 | 51083.40 | 97265.20 | 15822.60 | 66225.20 | 47737.90 | 102394.00 | 59144.30 | 82101.70 | 51491.50 | 33245.10 | 35754.70 | 16338.30 | 30834.50 | 106384.00 | 52016.20 | 37304.40 | 97001.80 | 35320.40 | 130424.40 | 22382.50 | 54916.40 | 33353.50 | 107136.20 | 27224.90 | 33903.90 | 27180.80 | 75443.10 | 3217.60 | 11706.90 | |
| g-Tocopherol | 362.70 | 180.40 | 357.10 | 352.95 | 463.90 | 403.50 | 201.90 | 207.50 | 416.90 | 227.50 | 567.60 | 511.70 | 315.90 | 346.80 | 505.60 | 489.05 | 313.85 | 369.60 | 507.20 | 557.40 | 647.80 | 585.10 | 678.70 | 972.70 | 213.20 | 255.40 | 406.15 | 292.40 | 413.10 | 305.70 | 460.70 | 305.10 | |
| Guanine | - | - | - | 957.30 | - | - | - | - | - | - | - | - | - | - | - | 555.70 | - | - | - | - | - | 4049.90 | - | 2390.10 | 1679.80 | 4830.80 | - | - | - | 1615.40 | - | - | |
| Guanosine | 1588.50 | 1571.90 | 1753.90 | 2133.55 | 4707.10 | 8294.40 | 1427.90 | 3573.00 | 3813.10 | 6060.10 | 805.90 | 5542.40 | 8065.00 | 3746.30 | 3334.00 | 3417.35 | 1377.05 | 5502.50 | 4391.80 | 6214.50 | 7972.00 | 9647.40 | 3892.10 | 14066.70 | 5132.20 | 7859.70 | 2143.25 | 1630.60 | 1282.40 | 1177.00 | 1697.10 | 4761.90 | |
| gulonic acid | 761.10 | 350.90 | 249.00 | 242.45 | 288.90 | 945.50 | 198.30 | 156.60 | 163.90 | 480.90 | 202.80 | 829.40 | 613.20 | 165.40 | 878.90 | 129.00 | 403.05 | 183.30 | 845.40 | 338.40 | 370.40 | 411.60 | 894.30 | 887.90 | 319.40 | 395.00 | 512.20 | 271.50 | 360.90 | 295.30 | 330.80 | 406.60 | |
| Heptadecanoic acid | 413.90 | 184.00 | 666.30 | 202.80 | 351.50 | 220.10 | 312.00 | 120.20 | 862.40 | 324.50 | 605.60 | 591.20 | 285.90 | 228.50 | 527.30 | 377.70 | 365.80 | 216.20 | 635.70 | 511.00 | 436.20 | 608.30 | 750.80 | 292.40 | 686.20 | 335.50 | 336.60 | 357.10 | 416.00 | 217.40 | 310.60 | 290.70 | |
| Hexacosanoic acid | 297.90 | 180.80 | - | - | 293.00 | 240.20 | 333.40 | 136.60 | 82.60 | 229.70 | 257.20 | 240.50 | 210.10 | 477.80 | 103.30 | 312.70 | 192.05 | 154.40 | 340.30 | - | 230.10 | 239.60 | 532.70 | 185.80 | 359.20 | 329.70 | 372.00 | 278.80 | 507.40 | 271.80 | 252.00 | 301.30 | |
| Hexacosanol | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 10.80 | - | - | - | - | - | - | 5.60 | - | |
| Hexadecanoic acid | 55865.10 | 45591.30 | 43248.90 | 38352.65 | 79301.30 | 44190.60 | 65115.50 | 47654.30 | 155060.70 | 69046.50 | 106383.00 | 116980.30 | 54878.70 | 40329.00 | 119500.70 | 58547.50 | 77109.35 | 45045.60 | 71249.00 | 128235.30 | 72627.30 | 84568.80 | 109685.20 | 59737.20 | 53986.90 | 64690.00 | 85683.35 | 56150.40 | 80652.50 | 47570.80 | 36536.90 | 54576.60 | |
| HEXADECANOIC ACID, methyl ester | 3268.60 | - | - | 2284.25 | - | 5152.30 | 2336.90 | - | 2499.10 | 1994.40 | 6321.00 | 2474.90 | 8076.00 | 2591.00 | 5307.10 | 3198.20 | 4273.90 | 4324.80 | 7866.00 | - | 6353.20 | - | - | 7321.40 | 6386.60 | 9820.30 | 9974.45 | 3753.00 | - | 12671.90 | 2505.80 | - | |
| Hexadecanol | - | 84.00 | - | 86.05 | 105.30 | - | - | - | 262.50 | - | 91.50 | - | 88.60 | - | 146.00 | 121.70 | - | 62.30 | 125.50 | - | 93.60 | 37.10 | 246.10 | - | - | 180.80 | 123.15 | 135.40 | 176.00 | - | 24.50 | 102.50 | |
| inositol | 40273.30 | 14790.30 | 19817.30 | 27463.30 | 41231.50 | 45163.50 | 33802.50 | 24936.30 | 52692.00 | 47154.70 | 46191.00 | 53601.60 | 44883.20 | 24400.60 | 61872.60 | 23132.40 | 49747.80 | 48513.50 | 116553.10 | 58272.20 | 87923.20 | 57679.60 | 62907.90 | 90314.30 | 35232.20 | 66764.30 | 54028.20 | 24610.60 | 45336.90 | 67030.40 | 33145.60 | 38263.50 | |
| Inositol-2-p | 3428.80 | 1173.60 | 1385.00 | 1365.05 | 2683.40 | 2038.20 | 1136.20 | 1644.30 | 1065.60 | 3213.40 | 1257.00 | 1684.70 | 1967.10 | 2119.90 | 1289.60 | 1009.05 | 948.95 | 891.60 | 1571.30 | 295.80 | 1427.10 | 3212.00 | 2408.30 | 1638.00 | 874.40 | 2924.30 | 1906.70 | 1241.00 | 1874.00 | 1322.60 | 1272.10 | 1571.90 | |
| isoleucine | 551.00 | 772.50 | 978.10 | 817.80 | 817.70 | 451.00 | 482.00 | 349.80 | 636.40 | 1533.70 | 877.60 | 4101.70 | 1185.60 | 917.40 | 1516.60 | 1391.15 | 1310.05 | 1962.50 | 3094.80 | 2408.70 | 1261.90 | 1693.30 | 1722.80 | 4867.00 | 1690.60 | 2723.20 | 1573.65 | 949.20 | 979.90 | 2623.50 | 916.50 | 595.10 | |
| isomaltose | 8965.70 | 6752.90 | 7724.50 | 8393.80 | 10624.80 | 8414.10 | 9429.30 | 6974.90 | 16930.20 | 4198.60 | 12592.40 | 6100.20 | 10040.50 | 5472.50 | 6314.90 | 6584.00 | 11440.90 | 10600.70 | 25949.00 | 10784.40 | 24530.00 | 12007.70 | 10067.40 | 21623.70 | 12872.60 | 16341.80 | 9254.20 | 4052.20 | 16755.00 | 18009.60 | 7762.80 | 11320.00 | |
| Itaconic acid | 3201.60 | 2337.30 | 2502.30 | 1988.90 | 2396.80 | 2189.90 | 2224.60 | 1136.60 | 3520.10 | 2928.40 | 2158.80 | 3656.20 | 2481.60 | 2793.40 | 3388.00 | 3546.85 | 2332.55 | 1767.70 | 2388.10 | 1891.30 | 4548.40 | 1058.60 | 11052.70 | 3216.30 | 1768.50 | 1058.20 | 3483.25 | 2819.80 | 4890.40 | 1084.70 | 3813.90 | 4785.30 | |
| lactic acid | 2950.20 | 2926.70 | 2626.40 | 1725.15 | 2339.80 | 2164.00 | 2109.60 | 1998.60 | 4065.90 | 6478.50 | 4876.60 | 7687.00 | 4017.10 | 2332.20 | 3898.90 | 1691.50 | 22870.80 | 1556.40 | 4221.20 | 4209.70 | 5926.50 | 5789.90 | 6062.40 | 4745.00 | 2933.70 | 5433.20 | 3344.80 | 2458.90 | 6793.40 | 6616.10 | 1797.90 | 2406.00 | |
| Lactose | - | 1141.70 | - | - | 1430.70 | 1340.40 | 820.90 | 1371.80 | 5831.90 | 499.30 | 4498.90 | - | 1185.30 | - | - | 1507.20 | 3289.20 | - | 7650.00 | - | 3308.50 | 6410.90 | 3223.70 | 3578.60 | 925.30 | - | 1308.15 | - | 3026.70 | - | - | 866.10 | |
| leucine | 1365.40 | 164.80 | 548.70 | 688.40 | 1193.80 | 1164.60 | 294.80 | 794.00 | 902.50 | 1208.90 | 1055.60 | 957.80 | 1751.30 | 1543.90 | 1235.80 | 1065.45 | 691.10 | 1966.60 | 4801.60 | 3076.10 | 1577.50 | 5034.80 | 1981.10 | 5911.40 | 856.30 | 4388.40 | 1896.15 | 872.60 | 1282.50 | 6926.30 | 1385.60 | 979.60 | |
| Lysine | - | - | 1642.50 | 1691.65 | 1294.20 | 1494.30 | 131.40 | 1183.90 | 1448.50 | - | 783.30 | 1410.00 | 914.20 | - | 735.40 | 831.95 | 1377.00 | 2848.30 | 6772.00 | 447.80 | - | 19609.30 | - | 22229.70 | 8740.50 | 22469.10 | 2165.40 | - | - | 20525.60 | - | 2105.50 | |
| Maleic acid | 2465.50 | 401.70 | 4364.10 | 953.05 | - | - | - | - | - | - | - | - | 972.90 | - | 660.50 | - | - | - | - | - | - | - | - | 1619.50 | - | - | 1313.95 | 840.20 | - | - | 1235.20 | 620.70 | |
| malic acid | 93498.90 | 67152.30 | 66638.10 | 46740.00 | 70801.90 | 41216.10 | 54080.40 | 72092.70 | 50608.30 | 48098.70 | 63746.10 | 42748.20 | 33033.90 | 57691.50 | 57186.00 | 51351.40 | 70179.40 | 39179.40 | 69547.40 | 96216.10 | 72851.60 | 136231.70 | 28403.60 | 62499.00 | 27028.90 | 89736.70 | 85315.05 | 50909.30 | 145117.10 | 41047.40 | 43637.60 | 74553.20 | |
| Maltose | 34151.30 | 18832.20 | 19838.90 | 42119.65 | 34030.40 | 39149.30 | 34372.90 | 25031.20 | 83103.70 | 44033.70 | 51374.30 | 49434.20 | 48724.80 | 25618.20 | 44935.40 | 44736.70 | 56870.05 | 55660.90 | 54648.10 | 45579.40 | 72870.90 | 46591.40 | 47686.00 | 63595.10 | 26083.70 | 53256.10 | 35862.95 | 13904.60 | 50339.70 | 92344.20 | 25676.40 | 26310.20 | |
| mannitol | 7532.70 | 3112.30 | 3203.60 | 6103.20 | 6621.10 | 5713.00 | 4564.10 | 4192.70 | 4684.20 | 4878.30 | 8516.30 | 4842.80 | 3995.80 | 3823.40 | 7116.00 | 2450.45 | 4118.75 | 4941.80 | 6629.90 | 12471.80 | 8010.50 | 5635.70 | 9948.40 | 9735.40 | 2922.70 | 8011.80 | 9109.90 | 4189.80 | 6734.30 | 8408.80 | 3922.40 | 3963.50 | |
| mannose | 1575.90 | 1747.60 | 1290.20 | 3374.35 | 2415.30 | 2108.20 | 1381.90 | 5715.30 | 19043.40 | 5372.90 | 10074.90 | 1984.00 | 14137.10 | 1916.20 | 14180.00 | 5539.85 | 3771.55 | 2105.90 | 6667.00 | 13999.40 | 9804.70 | 2069.90 | 4425.70 | 2503.80 | 2277.60 | 4185.40 | 4921.45 | 4660.30 | 3734.00 | 19188.00 | 5082.10 | 2226.50 | |
| Melibiose | 5653.30 | 1097.20 | 1220.30 | 2147.80 | 3013.60 | 2060.90 | 2638.10 | 2484.60 | 6468.70 | 1863.10 | 3537.00 | 4503.40 | 2076.30 | 2673.90 | 3853.90 | 4180.05 | 5238.45 | 5454.80 | 3870.60 | 23538.40 | 9321.20 | 11894.30 | 8302.60 | 10955.00 | 9466.50 | 24711.60 | 4733.00 | 3734.50 | 8222.10 | 11319.60 | 3805.60 | 1735.10 | |
| Methylmaleic acid | 2854.80 | 923.80 | 1193.20 | - | - | - | - | - | 2242.10 | 1250.70 | 1842.30 | 1902.30 | 1231.80 | 905.60 | 1522.20 | 1142.10 | - | - | - | - | - | - | 2529.90 | - | 162.50 | - | 715.25 | 518.90 | 905.00 | - | 659.50 | - | |
| mimosine | 508.30 | 218.00 | 239.50 | 503.45 | 512.30 | 325.20 | 567.70 | 503.30 | 1069.60 | 577.80 | 507.60 | 1047.20 | 547.50 | 334.30 | 621.50 | 498.00 | 1042.25 | 646.30 | 769.20 | 384.60 | 732.00 | 814.00 | 283.80 | 622.70 | 356.60 | 1093.30 | 730.85 | 429.50 | 325.20 | 719.10 | 200.50 | 343.90 | |
| Monomethylphosphate | 39315.20 | 10569.50 | 3576.70 | 9146.55 | 27370.60 | 22335.00 | 9842.80 | 20866.30 | 10827.80 | 24064.80 | 10738.10 | 13494.30 | 22292.40 | 12641.40 | 36955.10 | 23130.25 | 9577.95 | 4813.30 | 10292.00 | 6989.60 | 14431.00 | 21268.50 | 11372.70 | 6027.80 | 3654.20 | 13318.10 | 11631.95 | 8355.10 | 12658.30 | 7743.10 | 7618.90 | 15403.80 | |
| N-a-Acetyl-L-Lysine | 1838.80 | - | - | - | 2950.80 | 5093.50 | 1580.80 | 2111.30 | 5133.30 | 3495.80 | 4299.00 | 4301.40 | 5593.90 | 3540.20 | 5124.50 | 2448.15 | 2231.60 | 3474.10 | 5503.80 | 6990.30 | 9115.60 | - | 5488.80 | - | - | - | 5864.80 | 2046.00 | 4001.60 | - | 4087.90 | 5855.10 | |
| N-Acetyl glucosamine | 993.40 | 1343.40 | 1001.70 | 1283.95 | 940.80 | 1119.60 | 892.20 | 1475.90 | 914.10 | 597.60 | 1258.00 | 1567.10 | 817.90 | 867.30 | 1481.20 | 1395.95 | 1010.10 | 640.70 | 1444.10 | 1124.20 | 1767.00 | 2857.00 | 966.90 | 3057.00 | 1448.40 | 1594.10 | 1410.25 | 1078.50 | 1222.80 | 1690.20 | 826.80 | 721.60 | |
| N-Acetylglutamic acid | 3219.60 | 1646.60 | 1924.80 | 1149.40 | 5726.10 | 3242.60 | 1003.80 | 2780.00 | 1508.30 | 2930.90 | 1770.00 | 2214.40 | 1789.00 | 4765.20 | 915.70 | 3333.60 | 2221.10 | 2015.70 | 3875.80 | 3384.10 | 5298.10 | 2830.20 | 7119.70 | 1690.80 | 1691.50 | 2856.60 | 2646.60 | 1029.60 | 6085.40 | 1005.50 | 2935.60 | 3026.20 | |
| neochlorogenic acid | 122562.30 | 58229.00 | 50076.30 | 73991.65 | 173393.80 | 108050.90 | 131100.30 | 138601.10 | 100989.10 | 142124.80 | 106981.50 | 135411.50 | 99361.40 | 149747.20 | 124691.00 | 163858.85 | 138493.95 | 151500.40 | 232489.80 | 140875.90 | 170280.60 | 284869.80 | 220122.30 | 135414.80 | 163599.70 | 173563.60 | 147147.45 | 90775.50 | 184219.00 | 92047.60 | 136393.00 | 168298.30 | |
| NICOTINIC ACID | 489.80 | 323.00 | 388.40 | 494.70 | 499.70 | 381.60 | 432.00 | 432.70 | 627.90 | 358.50 | 745.00 | 446.20 | 443.40 | 367.80 | 390.60 | 383.20 | 617.40 | 482.50 | 377.90 | 298.40 | 587.70 | 892.50 | 702.80 | 778.50 | 373.30 | 903.50 | 636.30 | 474.50 | 453.20 | 649.10 | 301.80 | 335.80 | |
| Nonanoic acid | 55.50 | 34.50 | 24.90 | 50.40 | 13.80 | 53.50 | 42.70 | 23.30 | 104.70 | - | 101.80 | 82.20 | - | 27.90 | 203.50 | 72.85 | - | 25.80 | 123.70 | - | 67.20 | 250.80 | - | - | - | 55.50 | 95.55 | - | 140.90 | 35.50 | 65.70 | - | |
| O-Acetyl-L-serine | - | - | - | 115.35 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 219.30 | - | - | - | 111.30 | - | - | |
| O-acetylsalicylic acid | 1562.60 | 1228.00 | 2137.70 | 1864.90 | 1861.70 | 1130.20 | 1231.80 | 1732.30 | 2549.90 | 1836.70 | 3381.80 | 1404.40 | 2043.30 | 1709.30 | 2330.10 | 1973.55 | 2375.80 | 1813.70 | 5888.30 | 3528.90 | 4132.70 | 4768.80 | 4739.50 | 3282.80 | 1991.60 | 4866.60 | 3749.75 | 2177.60 | 4726.50 | 1885.40 | 1384.80 | 2112.30 | |
| Octacosanoic acid | 626.10 | 288.60 | - | - | 294.20 | 94.40 | 276.00 | 357.40 | - | - | - | - | 261.30 | 647.30 | - | 501.85 | - | 49.90 | - | - | 96.30 | - | 210.10 | 380.80 | 316.90 | 573.10 | 231.10 | 150.40 | 201.10 | 281.50 | 190.70 | 172.20 | |
| Octacosanol | - | - | - | - | - | 59.60 | - | - | - | - | - | - | - | 24.30 | - | - | - | - | - | - | - | - | - | 75.40 | - | - | - | - | - | - | 37.30 | - | |
| Octadecanoic acid | 13665.80 | 12418.30 | 13300.40 | 10172.40 | 19092.90 | 11587.00 | 19227.40 | 13032.50 | 18720.20 | 20850.30 | 23525.10 | 16915.70 | 14644.60 | 9769.70 | 19632.60 | 15142.50 | 13775.65 | 11573.40 | 18696.20 | 22873.10 | 18984.90 | 26681.80 | 27060.00 | 17019.20 | 45989.50 | 20948.20 | 20513.75 | 14684.20 | 22616.30 | 15456.90 | 9769.40 | 12444.30 | |
| Octadecanol | 394.50 | 149.80 | - | 168.40 | - | 188.80 | - | 139.10 | 154.60 | 134.60 | 170.40 | 234.10 | 207.20 | 164.50 | 218.70 | 155.60 | 193.40 | - | 362.60 | 249.50 | 380.30 | - | 557.70 | - | - | - | 207.30 | 246.40 | 314.40 | - | 142.50 | 155.90 | |
| OXALIC ACID | 11277.80 | 7940.30 | 13813.60 | 11266.70 | 19981.90 | 8524.50 | 7989.40 | 16593.30 | 7220.30 | 12953.00 | 11916.90 | 12494.90 | 13599.00 | 10972.90 | 18208.40 | 8001.40 | 3551.95 | 4281.80 | 1400.60 | 3481.90 | 8852.30 | 9840.10 | 2799.10 | 8762.10 | 2082.20 | 5242.50 | 6419.80 | 6940.90 | 2453.60 | 1073.50 | 2802.60 | 4217.20 | |
| Panthotenic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 159.80 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 500.60 | - | - | 197.20 | |
| p-Coumaric acid | 1731.30 | 1034.80 | 1536.30 | 950.30 | 1153.50 | 922.80 | 1122.10 | 959.80 | 1255.80 | 732.30 | 1662.70 | 734.10 | 1341.40 | 824.80 | 2113.40 | 983.20 | 736.75 | 523.60 | 1892.30 | 1343.10 | 939.00 | 852.20 | 1587.80 | 761.20 | 387.80 | 1009.40 | 2047.15 | 860.60 | 1768.60 | 626.40 | 521.10 | 782.10 | |
| Pentacosanoic acid | - | - | - | - | - | - | - | - | - | - | - | - | - | 116.00 | - | - | - | - | - | - | - | - | - | - | 184.20 | - | - | - | - | - | 51.40 | - | |
| Pentadecanoic acid | 129.10 | 264.50 | 209.70 | - | - | - | - | - | - | 310.40 | 414.30 | - | - | - | 268.50 | 227.20 | - | - | - | - | 296.90 | - | 605.80 | - | 185.20 | - | - | 267.10 | 261.90 | - | 285.90 | 200.90 | |
| Phenylalanine | 713.70 | 808.40 | 816.80 | 735.15 | 1377.60 | 578.10 | 521.20 | 721.20 | 1313.30 | 575.80 | 982.00 | 911.20 | 1787.50 | 1444.60 | 457.10 | 782.60 | 1459.95 | 1735.70 | 4449.50 | 928.10 | 1156.70 | 5105.80 | 5952.60 | 5383.50 | 2257.10 | 6252.40 | 1872.70 | 1711.40 | 1620.90 | 5638.90 | 504.10 | 626.00 | |
| phosphoric acid | 296564.80 | 236888.60 | 329936.10 | 229887.30 | 300493.80 | 264374.70 | 283608.70 | 271534.50 | 358316.50 | 270079.40 | 291736.70 | 298138.00 | 279919.20 | 278993.80 | 430209.70 | 312662.15 | 246790.30 | 215164.10 | 485248.50 | 233477.40 | 386202.50 | 419680.20 | 504458.90 | 333559.20 | 210235.50 | 508334.40 | 319773.65 | 257384.30 | 389393.30 | 278760.90 | 229663.30 | 304198.40 | |
| Phytol | 15602.10 | 2796.90 | 15393.50 | 9775.50 | 6694.50 | 15858.60 | 5868.80 | 4079.30 | 10829.90 | 12734.50 | 11453.00 | 4587.70 | 24432.50 | 4193.50 | 20787.90 | 6858.85 | 6029.15 | 10969.30 | 21745.90 | 10204.60 | 22401.50 | 15755.10 | 11357.00 | 10933.30 | 12929.00 | 7873.40 | 9977.90 | 8806.20 | 10323.20 | 17220.10 | 6328.70 | 6862.10 | |
| PIPECOLIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 17962.00 | - | 20670.00 | - | - | - | 590.10 | - | - | - | - | - | - | - | |
| PROPAN-1,2-DIOL | - | - | - | 92.85 | - | - | - | - | - | - | - | 1160.30 | - | - | - | - | - | - | 1011.20 | 794.50 | - | - | 280.40 | 355.50 | - | - | 500.45 | 274.00 | 286.40 | - | 172.70 | 146.00 | |
| Propanoic acid, 2-oxo-3-hydroxy | - | - | - | 205.00 | 330.40 | 254.90 | - | - | - | - | 488.60 | 679.90 | 282.60 | 263.80 | 313.40 | 446.65 | - | - | 696.60 | - | 405.00 | - | 488.60 | 320.70 | 172.70 | 556.40 | 613.00 | 330.90 | 324.50 | - | 183.40 | 335.10 | |
| Protocatechuic acid | - | - | - | - | - | - | 577.10 | 508.20 | - | - | 590.30 | - | - | 404.40 | - | - | 296.05 | - | - | - | - | 686.10 | - | - | - | - | - | 515.10 | 461.80 | - | 529.40 | 424.70 | |
| Putrescine | 5689.10 | 3174.50 | 16758.70 | 16867.25 | 16128.90 | 13157.20 | 11074.50 | 8571.30 | 26955.50 | 18436.20 | 56067.70 | 12978.40 | 22895.10 | 7174.40 | 28412.30 | 12649.30 | 15135.05 | 12718.80 | 11471.80 | 58594.30 | 17969.30 | 15389.50 | 25840.90 | 33332.90 | 9247.30 | 22225.50 | 12036.60 | 6817.90 | 34815.40 | 46489.90 | 9277.90 | 9100.00 | |
| pyroglutamic acid | 23489.30 | 17051.80 | 18928.60 | 19763.80 | 31382.40 | 19407.30 | 18292.10 | 21190.00 | 19094.30 | 23438.70 | 21130.90 | 23017.00 | 25671.00 | 17772.10 | 23341.80 | 12377.90 | 23424.10 | 23187.80 | 38723.50 | 15778.30 | 43695.40 | 52521.70 | 32070.70 | 54106.20 | 20670.90 | 45519.00 | 16427.45 | 9211.70 | 25186.10 | 30395.00 | 10937.80 | 15190.40 | |
| Pyrrole-2-carboxylic acid | 276.30 | - | - | 175.20 | 243.40 | 195.50 | 265.50 | 196.00 | 471.90 | 219.40 | 376.50 | 534.80 | 604.40 | 151.40 | 505.90 | 274.60 | 343.80 | 165.70 | 608.90 | - | 383.00 | 566.20 | 423.30 | 731.90 | 255.20 | 364.70 | 632.85 | 251.40 | 291.30 | - | - | - | |
| pyruvic acid | 536.20 | 306.60 | 404.10 | 432.70 | 525.00 | 378.90 | 454.50 | 116.50 | 292.40 | 692.30 | 287.60 | 672.50 | 793.80 | 323.50 | 436.90 | 317.20 | 290.00 | 409.10 | 1044.00 | 484.00 | 662.20 | 614.70 | 904.60 | 582.20 | 333.00 | 458.00 | 604.70 | 257.80 | 795.10 | 322.60 | 402.20 | 631.70 | |
| quinic acid | 129945.20 | 161078.10 | 80346.90 | 138209.20 | 357210.50 | 227439.00 | 246199.40 | 244576.40 | 326807.90 | 281449.00 | 336948.60 | 304383.30 | 304702.80 | 181280.40 | 446003.80 | 258923.45 | 241907.45 | 205960.30 | 330509.60 | 234491.00 | 382101.00 | 396408.00 | 388975.50 | 289285.70 | 194096.50 | 260269.90 | 234196.25 | 142601.80 | 210365.60 | 122863.10 | 207237.20 | 264291.00 | |
| Raffinose | 13662.00 | 7380.90 | 10588.20 | 8697.90 | 11963.70 | 20988.20 | 8800.90 | 7909.20 | 12249.40 | 18887.90 | 7355.30 | 26974.40 | 15634.00 | 6222.00 | 22222.30 | 11241.60 | 12556.00 | 18442.10 | 43753.50 | 15125.40 | 46521.90 | 14564.80 | 22068.80 | 30853.20 | 19314.40 | 24133.80 | 22988.95 | 9682.70 | 15218.40 | 22273.60 | 4525.60 | 5801.30 | |
| ribitiol | 1463.10 | 478.70 | 539.50 | 1149.00 | 2422.40 | 1781.70 | 1242.20 | 1017.70 | 1964.70 | 1713.30 | 2044.10 | 2036.00 | 1792.60 | 961.20 | 2046.20 | 995.05 | 1520.20 | 1987.20 | 5624.10 | 3048.70 | 3267.60 | 2839.00 | 3411.10 | 3798.80 | 1310.60 | 2419.00 | 1945.60 | 813.90 | 3287.10 | 3407.40 | 1442.20 | 1561.20 | |
| Ribose | 46356.00 | 22401.20 | 26942.40 | 18136.25 | 49558.60 | 31835.10 | 32200.70 | 30948.30 | 39726.50 | 42258.70 | 44451.30 | 37276.70 | 38985.30 | 27137.60 | 52289.20 | 30228.25 | 39164.70 | 32832.20 | 48217.60 | 68730.90 | 55347.20 | 61046.50 | 62097.20 | 43784.90 | 18863.20 | 56435.20 | 47896.35 | 28342.00 | 44088.20 | 27232.20 | 25864.10 | 35750.10 | |
| Salicylic acid | 1293.80 | - | 1460.30 | 1561.50 | 1724.70 | 2707.30 | 859.50 | - | 1057.40 | 1830.30 | 2901.00 | 2882.80 | 3030.00 | 1808.30 | 3481.00 | 1747.20 | - | 955.30 | 4396.70 | 505.60 | 3136.20 | 5958.50 | - | 4948.40 | 1195.60 | 4484.60 | 2728.95 | 3909.50 | 1201.80 | 3941.80 | 1770.90 | 2153.30 | |
| Salicylic acid-glucopyranoside | - | - | - | - | 224.70 | 83.30 | 54.60 | 110.20 | - | - | - | 1028.70 | - | - | - | 95.55 | 607.15 | 172.60 | 652.20 | - | 556.90 | - | 1032.20 | 426.50 | 50.20 | - | - | - | 1395.60 | 846.30 | 637.00 | 731.50 | |
| Sedoheptulose | 1299.30 | 1575.50 | 1410.80 | 1651.80 | 1286.00 | 1382.40 | 1370.30 | 1353.80 | 1200.30 | 2168.50 | 1922.00 | 2894.00 | 2741.30 | 1844.60 | 1439.40 | 1973.15 | 1024.65 | 1714.30 | 4578.20 | 3400.70 | 1857.50 | 1564.90 | 2247.60 | 2777.80 | 1115.80 | 1240.70 | 1341.85 | 721.80 | 2159.60 | 1996.90 | 1027.20 | 1114.80 | |
| Serine | 18042.90 | 13635.90 | 20999.20 | 15145.05 | 22614.00 | 18653.60 | 10860.40 | 16850.70 | 21893.30 | 15532.70 | 13705.20 | 22439.00 | 14821.30 | 20961.30 | 12603.20 | 16480.60 | 31055.15 | 28226.80 | 36313.70 | 31171.50 | 54875.80 | 50603.20 | 38606.70 | 72233.70 | 20876.20 | 43916.00 | 22025.10 | 9628.80 | 23603.00 | 60348.80 | 16986.20 | 15761.60 | |
| shikimic acid | 84551.00 | 137048.50 | 132209.10 | 103285.05 | 145878.60 | 92649.80 | 113434.00 | 110237.90 | 162193.80 | 124830.40 | 126351.20 | 130481.50 | 120414.40 | 92636.30 | 190767.80 | 129927.05 | 145017.85 | 97388.50 | 200254.50 | 101535.30 | 215757.90 | 206647.00 | 201775.10 | 194385.90 | 71936.70 | 157800.40 | 166478.30 | 101853.60 | 82039.30 | 71050.20 | 122873.20 | 131559.50 | |
| Sinapic acid | 176.90 | 56.30 | 138.60 | 214.95 | 157.20 | 137.90 | 184.60 | 155.40 | 163.70 | 139.60 | 440.10 | 240.20 | 214.30 | 224.90 | 184.70 | 215.65 | 185.95 | 203.60 | 527.70 | 193.70 | 254.40 | 440.90 | 375.90 | 353.40 | 295.20 | 543.90 | 210.85 | 162.90 | 341.50 | 275.50 | 242.10 | 231.90 | |
| Stigmasterol | 5424.60 | 2470.30 | 2890.50 | 2958.15 | 5056.30 | 2963.60 | 2936.10 | 2593.80 | 8749.10 | 4504.70 | 8832.60 | 6313.30 | 7683.50 | 2989.40 | 3658.30 | 2457.05 | 3800.65 | 3189.10 | 4272.70 | 8116.50 | 9908.20 | 8791.30 | 9714.70 | 6867.70 | 4148.00 | 7908.90 | 6849.45 | 6943.80 | 8054.50 | 4321.00 | 3641.90 | 4064.20 | |
| Succinic acid | 5806.60 | 3470.60 | 3106.40 | 3962.60 | 7856.40 | 4432.60 | 5194.40 | 5136.10 | 7892.50 | 6787.20 | 6377.30 | 6611.10 | 9061.60 | 4383.40 | 8834.30 | 5900.95 | 6662.95 | 4983.30 | 12731.30 | 7729.50 | 8136.00 | 11719.00 | 13891.60 | 5602.60 | 6059.50 | 6300.30 | 6229.90 | 5265.10 | 10073.80 | 4644.00 | 4971.70 | 6508.50 | |
| sucrose | 1175697.70 | 1743692.40 | 1297040.90 | 1684219.25 | 1293597.00 | 1005470.00 | 1238898.40 | 1285210.80 | 823659.60 | 1760886.30 | 706450.50 | 1682447.20 | 1255238.40 | 684736.30 | 841587.90 | 885324.95 | 1748107.70 | 1369863.70 | 1950138.80 | 1034680.50 | 2099019.80 | 1259332.10 | 1180642.50 | 1122660.40 | 642642.80 | 1239075.10 | 1169152.20 | 461359.90 | 1204002.30 | 1257124.70 | 476987.70 | 949711.20 | |
| syringic acid | 221.30 | - | - | 235.15 | - | 179.10 | - | - | - | - | 606.60 | 130.40 | 200.00 | 171.80 | 224.20 | 454.90 | 679.45 | 197.40 | 594.20 | - | 344.70 | 492.20 | 1326.30 | 607.50 | 251.60 | 674.50 | - | 564.90 | 492.40 | 526.30 | 293.00 | 374.30 | |
| Tetracosanoic acid | 1179.50 | 543.60 | 835.40 | - | 1070.00 | 833.90 | 1009.20 | 754.30 | - | 782.90 | - | - | 1088.90 | 1202.90 | 1410.40 | 1093.80 | 941.25 | 737.40 | - | - | 1024.10 | 1394.40 | 1507.00 | - | 1753.20 | - | 1307.35 | 809.80 | 1443.40 | - | 886.60 | 1057.80 | |
| Tetracosanol | 29.60 | - | - | - | - | - | 42.00 | 40.60 | - | - | 66.00 | 62.40 | 38.40 | - | 31.50 | 36.55 | - | - | - | - | - | - | - | - | - | - | - | 95.10 | 45.80 | 25.60 | - | 57.60 | |
| Tetradecanoic acid | 1525.80 | 359.10 | 1032.50 | 1363.30 | 420.10 | 222.70 | 1405.40 | 253.40 | 705.40 | 369.40 | 530.80 | 2393.00 | 277.10 | 239.40 | 470.00 | 681.25 | 392.60 | 268.40 | 1308.60 | 444.50 | 472.10 | 546.80 | 3189.60 | 512.20 | 1043.10 | 336.20 | 1142.20 | 2329.00 | 2833.30 | 268.50 | 427.10 | 1233.00 | |
| Tetradecanol | - | - | 140.40 | - | - | - | 106.90 | - | 110.20 | 94.80 | 138.00 | 158.30 | - | - | 145.90 | 150.15 | 109.60 | 106.90 | 142.20 | 147.60 | 78.10 | 132.80 | 143.00 | 153.60 | - | - | 135.45 | - | 119.10 | - | - | 157.10 | |
| Tetratriacontanol | - | - | - | 11.40 | - | 13.80 | - | 9.60 | - | 22.60 | - | 30.00 | - | 10.70 | - | 110.60 | - | - | - | - | - | - | 20.40 | - | 78.50 | - | 16.70 | 149.90 | - | 98.80 | 61.00 | 24.30 | |
| Threitol | 355.60 | 313.80 | 501.00 | 491.70 | 632.10 | 445.70 | 690.20 | 595.30 | 418.60 | 516.40 | 770.70 | 621.40 | 671.80 | 517.40 | 712.40 | 635.25 | 1226.80 | 707.90 | 1565.50 | 878.10 | 857.90 | 1924.60 | 1125.70 | 1201.80 | 539.50 | 965.00 | 958.15 | 390.90 | 1012.40 | 880.40 | 708.40 | 794.00 | |
| threonic acid | 15147.80 | 17425.40 | 11675.30 | 14129.55 | 23547.20 | 17981.00 | 20103.50 | 16717.00 | 17990.10 | 19407.80 | 17874.00 | 23075.40 | 14948.90 | 15836.30 | 21856.20 | 16232.10 | 22153.15 | 14464.30 | 26619.40 | 20871.60 | 22795.60 | 33429.50 | 25558.40 | 14626.40 | 7108.80 | 21459.40 | 20882.10 | 12591.20 | 19765.50 | 9924.70 | 9339.10 | 19544.30 | |
| Threonic acid lactone | 2694.40 | 1612.30 | 2684.90 | 3621.20 | 5271.30 | 3875.70 | 4429.90 | 4095.10 | 5811.90 | 4080.40 | 3989.70 | 4711.30 | 3755.30 | 3471.90 | 4628.40 | 2857.00 | 5081.10 | 4231.80 | 6940.90 | 4554.40 | 5247.30 | 8199.60 | 5479.90 | 3053.00 | 1857.60 | 4647.20 | 4356.70 | 2660.00 | 5084.70 | 3312.30 | 3071.10 | 3822.20 | |
| Threonine | 5842.50 | 1596.00 | 4347.40 | 14028.60 | 5995.50 | 4345.40 | 1357.00 | 3375.90 | 5592.30 | 4059.40 | 4008.10 | 6418.70 | 4214.40 | 5920.90 | 3194.30 | 5401.50 | 9791.30 | 8602.50 | 12819.90 | 12562.80 | 9845.20 | 14407.90 | 7820.10 | 16410.50 | 6867.50 | 15702.50 | 7039.20 | 2783.40 | 7249.00 | 15754.00 | 4760.30 | 5254.90 | |
| Thymine | 95.70 | - | - | 211.50 | - | 85.30 | - | - | 93.00 | - | 131.50 | 67.30 | 28.00 | - | 25.10 | 83.60 | - | 75.40 | 431.10 | 152.90 | - | 192.30 | 109.80 | 573.60 | 119.30 | 294.90 | - | 110.60 | - | 143.80 | - | 88.80 | |
| trehalose | 100.90 | - | 215.50 | 205.30 | 160.60 | 449.90 | 249.60 | 291.00 | 679.50 | 559.20 | - | 381.70 | 817.30 | - | 142.90 | 208.65 | 560.10 | 590.40 | 690.90 | - | 595.80 | 907.60 | - | 935.10 | 212.70 | - | 177.35 | - | 379.40 | 775.30 | 429.50 | 289.10 | |
| Triacontanoic acid | 1035.90 | 532.20 | - | - | 434.00 | 860.40 | 116.90 | 533.70 | - | 284.70 | - | - | 545.20 | 833.10 | - | 750.00 | 645.95 | 228.80 | - | - | - | 1226.90 | 1470.80 | 1116.50 | 754.00 | 1656.60 | 515.95 | 976.20 | 869.40 | 1037.30 | 509.30 | 663.70 | |
| Triacontanol | 275.30 | 228.80 | 380.00 | 436.90 | 428.70 | 675.00 | 450.10 | 206.80 | 327.70 | 330.30 | 562.50 | 889.60 | 601.30 | 427.00 | 669.50 | 431.25 | 1038.50 | 312.60 | 1657.20 | 729.30 | 3904.40 | 896.40 | 2614.00 | 699.20 | 206.90 | 403.30 | 563.65 | 303.20 | 964.70 | 503.40 | 258.80 | 413.40 | |
| Tricosanoic acid | - | - | - | - | 35.60 | 45.00 | - | - | - | - | - | 108.80 | - | 87.60 | - | 59.00 | 82.85 | - | - | - | - | - | - | 39.80 | 78.70 | - | 86.60 | - | - | - | 48.70 | - | |
| Tritriacontanol | 1832.30 | - | - | 1729.25 | - | - | - | - | - | - | - | - | 1604.40 | 1036.40 | - | 1544.95 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 779.40 | - | |
| tryptophan | - | - | 633.40 | 687.85 | - | - | - | - | - | - | - | - | - | - | - | 967.90 | - | - | - | - | - | 929.50 | - | 1717.60 | 294.80 | 583.40 | - | - | - | 1005.80 | - | - | |
| TYRAMINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 700.30 | - | - | - | - | - | 450.60 | |
| Tyrosine | - | - | 703.80 | 739.80 | 668.30 | 206.10 | - | - | 879.90 | - | 515.70 | 936.20 | 519.60 | - | 558.60 | - | - | 566.40 | 3371.80 | - | - | 6387.20 | - | 6620.50 | 2858.40 | 7547.70 | 1317.35 | - | - | 6803.10 | - | - | |
| Uracil | - | - | - | 149.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 321.40 | - | - | - | - | - | - | - | - | - | - | - | - | |
| urea | - | - | 875.00 | 891.10 | 92.70 | - | - | - | 418.30 | 178.30 | 469.30 | 194.80 | 24.90 | 22.70 | 30.00 | 210.85 | 348.80 | 61.50 | 696.70 | 1000.20 | 538.20 | 2448.30 | 128.70 | 1510.90 | 844.20 | 4099.60 | 400.60 | - | 322.20 | 1943.40 | - | 208.10 | |
| Uridine | 8888.20 | 2930.90 | 401.30 | 5552.00 | 8799.80 | 6622.80 | 5056.90 | 5163.00 | 6503.90 | 6301.10 | 8334.40 | 7619.10 | 7371.10 | 6308.10 | 8351.40 | 6428.70 | 4606.10 | 4561.90 | 6320.20 | 5770.30 | 9543.40 | 5303.40 | 11474.40 | 3823.00 | 2157.70 | 7687.10 | 7320.60 | 4733.30 | 9258.10 | 2895.50 | 7311.00 | 6134.20 | |
| Valine | 1622.00 | 171.80 | 1202.00 | 1405.60 | 2350.60 | 1882.00 | 477.10 | 1736.40 | 1942.70 | 1328.50 | 2539.80 | 1393.90 | 3023.60 | 2830.30 | 1890.20 | 2533.75 | 4391.95 | 3391.00 | 4163.50 | 7196.40 | 4757.00 | 6776.00 | 5760.90 | 11183.90 | 3852.60 | 9080.30 | 5125.05 | 2153.80 | 3350.20 | 9818.10 | 2632.00 | 2811.70 | |
| Vanillic acid | 422.50 | 220.90 | 306.60 | 283.85 | 477.50 | 298.70 | 409.60 | 363.30 | 429.20 | 346.50 | 692.90 | 747.30 | 307.20 | 375.50 | 288.50 | 355.80 | 540.60 | 291.70 | 890.20 | 457.00 | 475.40 | 658.30 | 807.10 | 516.70 | 311.20 | 776.10 | 475.90 | 334.40 | 579.90 | 681.20 | 793.50 | 290.00 | |
| vanillin | 47.20 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 28.70 | - | - | - | - | - | 33.90 | - | |
| Xylitol | 1496.20 | 1216.10 | 1218.60 | 1479.95 | 2672.80 | 1695.00 | 1856.80 | 1371.90 | 1496.60 | 1661.10 | 1606.00 | 2082.50 | 1644.30 | 826.00 | 2211.20 | 1436.20 | 1525.20 | 1405.70 | 1923.10 | 1939.20 | 2630.80 | 1357.30 | 1094.80 | 1446.70 | 1323.10 | 2320.10 | 1861.95 | 809.20 | 2382.30 | 1546.10 | 1001.40 | 1108.30 | |
| XYLONIC ACID LACTONE | 102.10 | - | - | 193.95 | 210.70 | - | - | - | - | 82.20 | 183.50 | - | - | 221.00 | - | 148.90 | - | 146.00 | 262.10 | 41.70 | 197.70 | 88.80 | 126.70 | 176.60 | - | 167.70 | - | - | - | 83.20 | 354.40 | 99.00 | |
| Xylopyranoside | - | - | - | 2434.50 | 7190.90 | 1101.30 | 2775.60 | 3580.90 | 3865.40 | 1120.80 | 4285.80 | 1813.30 | 1058.60 | 3032.50 | 1934.30 | 1826.80 | 4972.65 | 2601.60 | 3563.00 | 4972.50 | 2151.40 | 3606.30 | 3112.00 | 3050.80 | 840.20 | 2023.10 | 3825.25 | 2610.60 | 1788.50 | 3788.70 | 3098.80 | 1366.20 | |
| Xylose | 955.20 | 256.10 | 288.90 | 413.95 | 749.70 | 571.00 | 524.90 | 419.40 | 1296.90 | 729.70 | 1065.60 | 839.70 | 615.80 | 1468.40 | 917.10 | 675.35 | 1046.85 | 739.10 | 4692.70 | 2261.20 | 1199.50 | 1613.00 | 1858.70 | 1230.10 | 567.20 | 3255.80 | 1043.65 | 1079.00 | 2137.60 | 1926.40 | 899.50 | 1765.50 |
Factors:
| F1 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:1 | Time Point (days):30 |
| F2 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:1 | Time Point (days):50 |
| F3 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:2 | Time Point (days):30 |
| F4 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:2 | Time Point (days):50 |
| F5 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:3 | Time Point (days):30 |
| F6 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:3 | Time Point (days):50 |
| F7 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:4 | Time Point (days):30 |
| F8 | Treatment:Control- ambient temperature and ambient [CO2] | Ring:4 | Time Point (days):50 |
| F9 | Treatment:elevated [CO2] + ambient temperature | Ring:1 | Time Point (days):30 |
| F10 | Treatment:elevated [CO2] + ambient temperature | Ring:1 | Time Point (days):50 |
| F11 | Treatment:elevated [CO2] + ambient temperature | Ring:2 | Time Point (days):30 |
| F12 | Treatment:elevated [CO2] + ambient temperature | Ring:2 | Time Point (days):50 |
| F13 | Treatment:elevated [CO2] + ambient temperature | Ring:3 | Time Point (days):30 |
| F14 | Treatment:elevated [CO2] + ambient temperature | Ring:3 | Time Point (days):50 |
| F15 | Treatment:elevated [CO2] + ambient temperature | Ring:4 | Time Point (days):30 |
| F16 | Treatment:elevated [CO2] + ambient temperature | Ring:4 | Time Point (days):50 |
| F17 | Treatment:elevated temperature + ambient [CO2] | Ring:1 | Time Point (days):30 |
| F18 | Treatment:elevated temperature + ambient [CO2] | Ring:1 | Time Point (days):50 |
| F19 | Treatment:elevated temperature + ambient [CO2] | Ring:2 | Time Point (days):30 |
| F20 | Treatment:elevated temperature + ambient [CO2] | Ring:2 | Time Point (days):50 |
| F21 | Treatment:elevated temperature + ambient [CO2] | Ring:3 | Time Point (days):30 |
| F22 | Treatment:elevated temperature + ambient [CO2] | Ring:3 | Time Point (days):50 |
| F23 | Treatment:elevated temperature + ambient [CO2] | Ring:4 | Time Point (days):30 |
| F24 | Treatment:elevated temperature + ambient [CO2] | Ring:4 | Time Point (days):50 |
| F25 | Treatment:elevated temperature + elevated [CO2] | Ring:1 | Time Point (days):30 |
| F26 | Treatment:elevated temperature + elevated [CO2] | Ring:1 | Time Point (days):50 |
| F27 | Treatment:elevated temperature + elevated [CO2] | Ring:2 | Time Point (days):30 |
| F28 | Treatment:elevated temperature + elevated [CO2] | Ring:2 | Time Point (days):50 |
| F29 | Treatment:elevated temperature + elevated [CO2] | Ring:3 | Time Point (days):30 |
| F30 | Treatment:elevated temperature + elevated [CO2] | Ring:3 | Time Point (days):50 |
| F31 | Treatment:elevated temperature + elevated [CO2] | Ring:4 | Time Point (days):30 |
| F32 | Treatment:elevated temperature + elevated [CO2] | Ring:4 | Time Point (days):50 |
