Data for ST000390   

(Analysis AN000626): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29
1,5-anhydroglucitol
3160.00 1810.00 7620.00 4017.00 9466.00 7998.00 8386.88 5734.00 5827.75 5883.00 4235.00 6213.83 9511.50 8707.00 4475.00 5202.67 7674.00 7532.50 1932.00 2016.00 8807.00 6058.00 4691.67 6154.00 4608.67 7669.00 6248.12 6131.25 6342.00
1-hexadecanol
462.00 415.00 157.00 262.00 297.50 626.00 449.00 356.00 251.00 442.00 490.00 431.83 234.00 368.50 1143.00 326.17 598.00 250.50 409.50 413.50 624.00 314.00 346.00 317.00 455.00 307.00 462.50 405.88 312.89
1-monopalmitin
558.00 617.00 329.00 1083.00 506.50 762.00 452.75 748.00 492.50 654.00 1525.00 497.67 476.00 297.00 1021.00 547.83 387.50 375.50 492.00 514.00 473.00 825.00 467.33 322.00 693.33 452.00 675.25 668.62 477.56
1-monostearin
960.00 508.00 517.00 933.00 724.50 920.50 807.25 530.00 544.75 455.00 1104.00 803.50 659.50 653.50 1486.00 771.17 598.50 551.00 803.00 611.00 780.00 497.00 823.33 555.00 631.00 571.00 886.25 701.75 279.11
238267 trisaccharide
116.00 180.00 36.00 161.00 183.50 330.00 119.25 66.00 160.38 228.00 147.00 119.33 101.50 111.00 339.00 395.67 153.50 160.00 186.50 180.00 136.00 367.00 202.67 127.00 141.00 193.00 196.62 233.62 327.56
2-aminoadipic acid
97.00 81.00 142.00 145.00 216.00 469.00 208.88 761.00 108.38 1040.00 155.00 181.33 121.00 195.50 306.00 176.00 296.00 119.00 804.00 131.00 191.00 171.00 156.00 154.00 346.00 132.00 159.12 381.38 241.89
2-hydroxybutanoic acid
2697.00 1754.00 7428.00 2681.00 7039.50 6487.00 8626.25 3683.00 6304.88 3396.00 1392.00 6415.33 12269.50 12483.50 4954.00 5573.00 13200.50 8471.00 11727.00 11669.50 15928.00 11483.00 8055.67 7658.00 10310.00 8343.00 6928.12 6352.12 7528.44
2-hydroxyglutaric acid
2046.00 576.00 779.00 1217.00 526.50 807.50 582.62 997.00 779.00 1415.00 481.00 757.00 548.00 607.00 863.00 917.67 957.50 1034.50 920.50 637.00 602.00 261.00 937.67 549.00 2038.67 888.00 481.50 1734.75 818.67
2-ketoisocaproic acid
452.00 387.00 195.00 402.00 569.00 511.50 408.25 284.00 345.50 381.00 439.00 518.83 365.00 455.50 1357.00 328.33 688.50 260.00 463.00 453.50 603.00 272.00 681.67 573.00 340.00 533.00 590.25 483.25 442.22
2-monoolein
324.00 487.00 173.00 701.00 277.00 369.00 353.88 221.00 269.00 281.00 699.00 292.67 181.50 267.00 575.00 275.17 244.50 198.00 214.50 371.00 398.00 255.00 252.00 198.00 408.00 260.00 391.75 433.75 254.89
2-monopalmitin
639.00 313.00 595.00 1677.00 457.00 346.00 478.00 68.00 291.75 400.00 246.00 785.17 311.50 396.50 1862.00 459.17 218.00 133.50 197.00 181.50 255.00 231.00 527.67 576.00 383.67 354.00 532.12 424.88 419.67
2-phenylpropanol NIST
1143.00 149.00 395.00 794.00 411.00 384.00 389.75 419.00 312.62 179.00 877.00 547.00 603.00 224.50 534.00 477.17 432.00 381.50 434.00 379.50 251.00 164.00 484.00 163.00 434.67 252.00 420.00 281.00 354.67
3-aminoisobutyric acid
2134.00 850.00 1374.00 1423.00 2009.50 1911.50 1937.00 903.00 1525.75 1233.00 3203.00 1608.17 961.00 1501.50 2403.00 1948.17 1204.50 1348.00 5876.50 3445.50 1596.00 890.00 1845.33 2198.00 2175.33 1876.00 1547.50 1592.12 1811.78
3-hydroxybutanoic acid
1915.00 1421.00 3954.00 1646.00 6201.00 5808.50 8216.50 2536.00 5871.00 2415.00 1610.00 12240.17 5709.50 19219.50 1791.00 10231.50 6670.00 17548.00 34959.00 37114.50 24940.00 17812.00 7852.00 4014.00 10658.67 6308.00 6344.75 7021.75 10074.78
3-phenyllactic acid
198.00 196.00 101.00 189.00 147.00 265.00 172.12 139.00 263.00 121.00 302.00 175.50 138.00 209.50 582.00 158.33 279.50 193.50 192.00 173.50 189.00 122.00 222.33 180.00 208.33 186.00 398.12 721.50 294.11
3-phosphoglycerate
781.00 81.00 1558.00 2381.00 1245.50 634.00 1183.88 207.00 364.62 455.00 215.00 1336.67 1240.00 1210.00 973.00 365.33 498.50 503.00 1212.50 634.50 1125.00 117.00 631.67 598.00 319.00 446.00 1242.12 548.00 637.78
4-hydroxybutyric acid
130.00 209.00 195.00 498.00 190.00 365.50 211.50 214.00 271.25 210.00 194.00 205.33 193.50 230.50 420.00 226.67 230.00 284.50 612.50 529.50 225.00 231.00 194.00 294.00 281.67 271.00 220.25 332.50 265.44
4-hydroxyproline
466.00 141.00 195.00 276.00 257.00 303.50 235.50 148.00 1272.12 220.00 185.00 217.83 224.50 257.50 542.00 272.17 232.00 215.50 240.00 2477.50 233.00 187.00 1318.33 228.00 196.00 260.00 578.25 746.12 215.44
5,6-dihydrouracil
154.00 365.00 187.00 624.00 318.00 709.50 260.25 284.00 822.50 312.00 242.00 165.67 271.50 206.50 317.00 492.17 245.00 931.50 348.00 902.00 230.00 524.00 234.67 239.00 500.00 847.00 306.88 562.75 460.56
5-aminovaleric acid
351.00 1146.00 363.00 403.00 456.00 464.50 424.38 662.00 458.00 637.00 560.00 347.17 407.50 427.50 700.00 356.00 289.00 491.50 2319.00 8179.50 345.00 614.00 459.33 817.00 557.67 567.00 531.88 501.38 608.78
5^-deoxy-5^-methylthioadenosine
260.00 276.00 227.00 487.00 197.50 375.50 184.50 223.00 433.00 257.00 474.00 210.67 164.50 169.00 457.00 273.17 350.50 237.50 439.50 1379.50 250.00 104.00 202.67 141.00 330.33 457.00 261.38 438.50 352.00
5-hydroxynorvaline NIST
260.00 185.00 193.00 188.00 230.00 284.00 234.88 140.00 260.00 173.00 330.00 243.83 174.00 216.50 501.00 258.50 207.00 188.50 250.00 297.00 182.00 129.00 230.67 201.00 250.33 217.00 208.75 213.50 216.78
5-methoxytryptamine
668.00 454.00 170.00 141.00 150.00 280.00 213.50 105.00 114.00 166.00 211.00 153.00 153.50 180.00 391.00 224.00 174.50 288.00 124.50 129.50 264.00 102.00 152.00 123.00 209.00 140.00 200.00 233.50 132.22
acetophenone NIST
7383.00 566.00 2803.00 5711.00 2867.00 1092.50 2658.12 3316.00 2228.25 623.00 5803.00 4149.00 3779.50 919.00 2743.00 4239.50 1949.50 3922.50 2631.00 2881.50 1037.00 673.00 3228.67 863.00 2280.33 907.00 3854.00 1898.50 2695.89
adenine
195.00 224.00 127.00 344.00 118.00 256.00 149.00 117.00 226.62 177.00 362.00 176.00 107.00 122.50 391.00 231.67 197.50 121.00 245.00 237.50 129.00 102.00 159.00 124.00 226.67 210.00 158.88 273.00 177.00
adenosine
2287.00 649.00 1469.00 1794.00 413.00 3707.00 1766.50 1354.00 3598.38 2860.00 10217.00 2098.50 573.00 2340.50 1205.00 3975.67 4905.00 1973.50 3428.50 878.00 1225.00 647.00 4594.00 280.00 2741.00 1472.00 2970.12 3681.75 2549.00
adenosine-5-phosphate
1377.00 877.00 1211.00 4347.00 428.50 1721.50 870.75 1053.00 3738.38 762.00 2046.00 2187.00 980.50 1412.00 1073.00 2170.33 4693.00 844.00 2080.50 2378.00 827.00 146.00 1902.33 258.00 2626.33 2133.00 611.25 4903.75 2256.78
adipic acid
1224.00 484.00 418.00 667.00 777.00 960.50 878.12 452.00 447.75 635.00 567.00 816.33 2120.50 630.00 2245.00 612.83 769.50 403.00 659.00 659.00 797.00 486.00 744.00 428.00 697.00 959.00 765.88 669.50 611.22
alanine
131350.00 321550.00 191406.00 163725.00 212190.00 219431.00 198640.12 331642.00 277577.12 333095.00 278511.00 180906.00 251120.00 202340.50 246554.00 242413.17 290886.50 217207.00 281126.00 292272.50 176808.00 235414.00 213510.00 386340.00 316851.33 266071.00 225509.75 265408.75 268284.56
allantoic acid
311.00 410.00 179.00 403.00 392.50 571.00 620.88 186.00 260.12 208.00 217.00 485.83 364.00 798.50 671.00 288.83 284.50 260.50 673.00 405.50 846.00 263.00 370.67 1189.00 324.33 377.00 480.50 320.75 237.22
alpha ketoglutaric acid
12.00 82.00 44.00 160.00 100.50 51.50 81.38 60.00 94.38 136.00 133.00 123.00 125.00 200.00 431.00 64.17 63.50 78.00 89.50 100.00 38.00 72.00 108.67 145.00 84.67 148.00 160.38 160.00 80.89
aminomalonic acid
1415.00 1903.00 2125.00 1419.00 1655.50 2025.00 1535.38 1557.00 2035.75 2424.00 1047.00 1229.33 1234.00 1569.50 977.00 1502.67 1224.50 1718.00 1264.50 1991.50 1419.00 1557.00 1534.00 1836.00 2505.00 1938.00 1701.50 2184.75 2091.22
arabinose
429.00 414.00 442.00 489.00 339.50 612.50 400.88 395.00 429.62 559.00 600.00 337.50 287.50 303.50 405.00 478.50 494.50 321.00 396.00 591.00 295.00 513.00 338.67 224.00 582.67 267.00 388.62 473.12 365.44
arabitol
222.00 130.00 157.00 208.00 173.50 286.50 172.38 254.00 244.00 342.00 107.00 191.33 165.00 202.50 387.00 237.33 370.00 174.50 282.50 182.00 225.00 217.00 103.67 11.00 292.67 191.00 156.25 214.38 166.89
arachidic acid
5904.00 3235.00 2804.00 5193.00 2895.00 2561.50 3858.88 3132.00 2585.38 1977.00 6779.00 5207.67 3564.50 2307.50 5209.00 3496.83 2355.00 6089.00 168738.50 2950.00 2149.00 2013.00 3842.67 2550.00 2621.67 1935.00 3277.25 4829.62 3958.33
arachidonic acid
4659.00 17314.00 6930.00 21398.00 8382.50 7077.00 9627.62 19885.00 12377.25 19911.00 11273.00 10572.33 7958.50 5158.50 12644.00 13012.00 6103.00 16371.50 1442.00 13336.50 7512.00 30935.00 9092.33 1272.00 13999.67 12418.00 14040.00 20219.75 12354.89
ascorbic acid
111.00 137.00 76.00 117.00 153.50 189.50 161.50 64.00 696.25 90.00 174.00 195.83 128.50 235.50 365.00 116.33 126.50 114.00 89.50 89.50 230.00 104.00 184.33 89.00 116.00 120.00 163.50 169.25 133.00
asparagine
5078.00 10503.00 5189.00 7204.00 6927.00 7645.50 5524.38 6243.00 7276.12 6436.00 4749.00 6083.00 6989.00 5798.50 4530.00 5856.33 4585.50 6747.00 6398.50 9646.00 3827.00 3648.00 8204.67 7594.00 7081.67 10242.00 6640.25 8543.00 7635.67
aspartic acid
112438.00 13627.00 51978.00 74111.00 55842.00 57160.00 43114.25 29709.00 38734.88 42019.00 28900.00 43393.50 48733.00 44839.00 34949.00 59175.17 41026.00 49492.00 38862.50 40238.50 39649.00 31302.00 51558.67 42860.00 24539.33 68819.00 41504.50 41326.25 45147.89
azelaic acid
203.00 137.00 113.00 190.00 111.50 210.50 199.62 78.00 93.00 143.00 131.00 230.50 215.50 71.00 564.00 148.00 158.00 84.50 328.50 165.50 255.00 67.00 119.33 70.00 141.00 202.00 216.00 165.62 123.33
behenic acid
1144.00 468.00 851.00 1272.00 734.50 1134.00 825.75 658.00 719.25 698.00 959.00 923.17 543.00 807.00 2149.00 1147.33 1104.00 458.50 862.00 665.00 878.00 583.00 1411.67 653.00 647.00 746.00 1209.38 1087.88 686.33
benzoic acid
16449.00 5206.00 7807.00 15432.00 12315.00 14834.50 12516.50 7001.00 8479.38 7373.00 14188.00 13236.17 11464.00 10416.50 27569.00 10686.83 12611.50 9288.00 11408.00 9615.50 10486.00 7286.00 12880.00 9178.00 9825.00 9142.00 12330.88 10960.25 9249.67
beta-alanine
3506.00 3370.00 3734.00 2808.00 1786.50 1604.00 4516.88 2291.00 3982.25 2318.00 2526.00 2795.17 4507.50 2548.50 3148.00 2557.83 3957.50 2304.00 3018.50 3423.50 6651.00 3691.00 3275.33 4195.00 4398.00 4665.00 3573.50 3237.50 3510.78
biuret
183.00 75.00 127.00 215.00 173.00 315.50 296.75 75.00 121.38 112.00 163.00 375.50 188.00 505.50 402.00 151.67 197.50 157.50 308.00 174.50 349.00 128.00 215.67 284.00 155.67 260.00 343.62 232.62 269.56
capric acid
4483.00 1645.00 2906.00 1860.00 3574.50 2410.50 2693.25 1217.00 1850.75 2289.00 3188.00 3531.67 2504.00 2295.50 5684.00 2859.00 2848.00 1711.00 2322.50 2338.50 1935.00 1240.00 3098.00 2168.00 2454.67 2036.00 2718.88 2393.00 1612.56
caprylic acid
2014.00 746.00 998.00 1126.00 1680.50 1169.00 1529.50 604.00 954.50 888.00 1719.00 1760.17 1286.50 1107.50 2875.00 1202.00 1238.00 1014.50 1691.50 967.00 1123.00 357.00 1397.33 1228.00 1029.00 713.00 1317.75 1205.25 1164.56
cellobiotol
3037.00 10446.00 1207.00 3028.00 4292.00 6728.00 2448.38 6873.00 4943.12 7741.00 16476.00 2558.83 1599.00 2904.50 6849.00 8421.50 2880.00 3828.00 2543.00 1528.50 2323.00 2520.00 3365.33 3545.00 6224.00 2843.00 3824.50 5155.75 4730.00
cholesterol
133898.00 99553.00 86519.00 215536.00 131517.00 189686.00 122993.00 81160.00 107832.12 103291.00 216152.00 137073.17 97029.00 118593.00 282826.00 126257.67 126342.50 124641.00 142959.00 138213.50 120777.00 87477.00 159604.67 120391.00 122530.00 137266.00 160891.00 124763.25 59178.67
citric acid
2640.00 769.00 4272.00 2036.00 4239.00 5734.50 3976.88 1198.00 1499.12 2606.00 684.00 4603.50 3356.00 4775.50 3082.00 3320.33 2424.50 860.50 1971.00 1029.50 4209.00 1116.00 3834.00 1069.00 1290.67 3416.00 3237.12 2469.75 2382.44
citrulline
454.00 400.00 273.00 422.00 684.50 649.50 634.88 241.00 358.75 265.00 227.00 805.50 602.00 528.00 1135.00 391.67 325.50 285.00 504.00 459.00 383.00 366.00 809.33 818.00 420.00 435.00 716.62 495.12 515.33
conduritol beta epoxide
47269.00 9527.00 65636.00 34308.00 23716.00 21254.00 14694.25 10260.00 17288.38 23455.00 21065.00 32682.67 12902.00 30961.00 25789.00 30935.00 26306.50 31503.50 15825.00 13092.50 7604.00 5045.00 9969.67 6450.00 13445.33 9204.00 10809.25 15208.38 19507.56
creatinine
4677.00 17898.00 12204.00 6278.00 7566.50 11346.50 10267.50 6778.00 15740.75 18655.00 17344.00 8861.50 9955.00 9143.00 8187.00 11248.33 17671.00 18239.50 34796.00 46120.00 9270.00 13935.00 8152.00 10217.00 15464.67 21469.00 12855.75 13392.25 13604.11
cysteine
7043.00 10024.00 8542.00 8268.00 6666.50 7205.00 4376.88 7486.00 8911.50 11434.00 6172.00 5039.33 5368.50 4058.00 1640.00 6902.83 7896.00 7357.50 3040.50 13081.50 5613.00 17289.00 5663.67 886.00 5238.33 6913.00 5647.50 8818.88 7224.44
cysteine-glycine
395.00 620.00 138.00 294.00 463.50 372.50 260.38 188.00 138.12 123.00 226.00 234.67 259.00 290.50 428.00 260.17 164.50 127.50 182.00 244.50 257.00 146.00 294.67 267.00 196.67 174.00 252.38 228.50 217.33
cystine
887.00 1177.00 1103.00 1032.00 3473.00 1084.50 1500.00 558.00 1294.00 1004.00 465.00 1849.50 2737.50 1882.50 1146.00 1611.17 757.00 701.50 594.50 1686.50 733.00 685.00 2542.00 365.00 800.33 930.00 1196.62 1143.75 1200.22
cytidine-5^-diphosphate
3802.00 9243.00 6168.00 1504.00 2891.50 3137.50 6139.12 4579.00 4715.50 11817.00 8297.00 2880.50 4132.00 6524.50 4106.00 4884.50 2188.50 9215.00 2868.00 2957.00 6391.00 14108.00 2351.00 3084.00 3918.67 5900.00 5610.25 3204.50 4589.44
cytidine-5-monophosphate NIST
2242.00 2488.00 1073.00 2666.00 603.50 1590.50 1844.62 987.00 1915.38 1179.00 3087.00 859.50 595.00 648.50 1194.00 1594.50 1763.50 480.00 605.50 1934.00 776.00 379.00 1209.33 184.00 2312.00 1856.00 982.50 3176.50 896.22
digalacturonic acid
413.00 764.00 259.00 370.00 406.00 638.00 304.12 561.00 412.62 754.00 1287.00 280.50 206.50 364.00 708.00 651.50 300.50 403.50 262.00 213.00 294.00 293.00 368.00 313.00 543.33 301.00 456.50 432.88 446.44
dihydroabietic acid
536.00 351.00 200.00 535.00 807.00 989.50 475.62 315.00 288.88 440.00 154.00 420.83 287.00 502.00 3096.00 368.83 601.00 308.50 754.00 600.50 374.00 383.00 545.00 409.00 489.00 513.00 528.12 504.38 169.00
dihydrosphingosine
504.00 297.00 251.00 824.00 555.50 377.00 291.88 111.00 157.62 169.00 278.00 328.50 389.50 317.50 1028.00 180.50 230.50 166.00 244.00 143.50 190.00 131.00 879.00 300.00 212.33 145.00 373.88 255.00 204.44
dodecane
502.00 252.00 515.00 1281.00 793.50 957.50 735.12 273.00 490.50 521.00 1259.00 895.17 819.00 695.00 2179.00 959.83 918.00 651.00 594.00 659.00 626.00 385.00 839.33 304.00 530.67 422.00 883.38 706.62 511.78
dodecanol
779.00 255.00 412.00 602.00 475.00 662.50 575.62 889.00 362.00 349.00 651.00 730.50 476.50 386.00 999.00 518.50 468.50 415.50 516.50 334.50 592.00 272.00 518.00 349.00 428.00 368.00 543.62 412.62 385.44
erythritol
268.00 205.00 446.00 413.00 494.00 497.00 541.00 425.00 561.12 241.00 425.00 611.83 371.00 515.50 660.00 466.83 448.50 423.00 727.50 449.50 722.00 409.00 436.67 166.00 580.00 397.00 471.62 543.50 461.89
erythronic acid
162.00 268.00 142.00 247.00 183.00 221.00 184.00 108.00 240.12 222.00 435.00 168.00 193.00 211.50 394.00 205.83 262.50 199.50 175.00 236.00 132.00 226.00 185.33 166.00 190.33 349.00 202.12 207.25 160.22
erythronic acid lactone
2118.00 4121.00 1067.00 345.00 20560.00 8582.50 12969.50 2944.00 8540.88 4347.00 9270.00 15285.33 13065.50 14859.50 14479.00 7937.17 12838.00 3377.00 11455.50 11634.00 14406.00 17149.00 16380.33 21800.00 10982.33 4482.00 16524.00 9287.25 18167.33
ethanolamine
45525.00 48249.00 48582.00 33974.00 37994.50 54912.50 39445.00 51482.00 43456.25 49834.00 27409.00 27217.83 30699.50 44353.00 14653.00 31614.17 29915.00 57338.00 33587.00 48690.50 34773.00 27253.00 57033.00 38899.00 93913.67 29932.00 45162.12 55608.25 45773.44
ethanol phosphate NIST
6080.00 7110.00 4114.00 2183.00 2074.00 3593.50 2207.62 2456.00 2648.62 2357.00 8737.00 2250.00 2393.00 2635.50 2293.00 2807.17 1560.00 2677.00 2787.50 1836.50 2656.00 3114.00 3372.00 1602.00 4039.00 1015.00 2789.62 3397.75 2705.33
FAD
188.00 185.00 104.00 189.00 122.50 230.00 121.75 150.00 136.38 256.00 375.00 114.50 84.50 115.50 310.00 117.67 183.00 145.50 114.00 195.00 100.00 128.00 100.67 88.00 119.00 207.00 141.62 130.88 104.44
fructose
666.00 1044.00 308.00 784.00 330.50 579.00 891.62 590.00 388.00 799.00 2565.00 418.17 418.50 754.50 940.00 1157.00 370.50 388.00 1624.00 398.50 410.00 623.00 525.00 353.00 1913.67 324.00 646.38 1168.38 633.78
fructose 1 phosphate
153.00 161.00 109.00 214.00 180.50 308.00 175.12 105.00 145.88 105.00 150.00 125.33 130.50 124.50 284.00 204.67 107.50 120.00 272.50 141.00 158.00 176.00 248.33 192.00 115.00 199.00 182.75 176.62 142.22
fructose-6-phosphate
404.00 1522.00 254.00 643.00 965.00 309.50 717.88 87.00 335.50 696.00 146.00 593.50 1017.00 732.00 1036.00 935.17 115.00 181.50 878.50 406.50 352.00 1245.00 1042.00 569.00 535.33 1741.00 675.12 241.50 546.00
fucose
538.00 583.00 342.00 955.00 643.50 1105.00 513.25 613.00 816.62 659.00 954.00 619.33 421.50 499.00 910.00 613.83 517.00 632.50 893.00 2444.00 599.00 520.00 661.67 477.00 763.33 1014.00 627.25 942.50 787.56
fucose+ rhamnose
933.00 1035.00 1307.00 1957.00 1166.00 2319.50 990.25 1295.00 3764.75 1067.00 4598.00 1055.67 680.00 943.50 1821.00 1363.00 1388.50 1611.00 2471.00 8483.50 1022.00 2133.00 1265.67 1050.00 2332.00 2437.00 1232.50 2574.88 1898.78
fumaric acid
4854.00 1407.00 4616.00 5406.00 6522.00 4154.00 4333.88 4038.00 4343.00 6118.00 1707.00 5241.50 5661.00 4745.00 4199.00 3917.00 4209.50 3052.00 5442.00 4943.50 7804.00 1516.00 3760.33 3030.00 4405.00 4868.00 2475.62 5695.62 3983.33
galactose-6-phosphate
219.00 409.00 122.00 225.00 306.00 176.50 226.62 69.00 132.25 188.00 121.00 212.50 303.00 212.50 582.00 288.00 123.50 81.50 186.00 125.00 199.00 404.00 224.33 239.00 183.67 440.00 264.25 126.12 216.89
gamma-tocopherol
653.00 767.00 323.00 876.00 465.00 328.00 314.88 202.00 455.50 310.00 1946.00 624.00 248.00 233.50 678.00 761.67 380.00 354.00 183.00 577.00 351.00 453.00 274.00 181.00 539.00 270.00 421.88 455.25 414.11
gluconic acid
316.00 306.00 232.00 403.00 461.50 202.00 769.25 230.00 136.50 376.00 176.00 354.83 552.00 359.00 431.00 220.00 153.50 146.50 322.00 241.50 498.00 339.00 353.67 163.00 202.67 169.00 310.75 191.62 296.22
glucose
91279.00 278829.00 328908.00 58038.00 261962.00 159334.00 376045.00 94874.00 110543.38 146538.00 34602.00 455629.33 289499.50 592979.50 156077.00 248441.50 263051.00 129404.00 197242.50 83012.00 451792.00 290901.00 296622.33 296322.00 160490.67 126720.00 270707.75 141871.62 253916.78
glucose-6-phosphate
317.00 613.00 139.00 308.00 469.00 238.00 390.12 54.00 186.00 362.00 258.00 317.00 548.00 495.00 520.00 498.17 101.50 117.50 440.00 264.50 203.00 899.00 410.67 407.00 309.00 933.00 395.00 178.38 316.78
glucuronic acid
144.00 213.00 146.00 207.00 202.50 270.00 248.75 131.00 211.88 165.00 121.00 253.00 151.00 338.50 258.00 201.33 216.50 189.00 360.00 191.50 314.00 155.00 237.33 177.00 255.33 219.00 180.00 259.12 210.44
glutamic acid
81891.00 43788.00 102997.00 79574.00 71785.00 90863.00 74672.38 62791.00 102280.88 113204.00 104230.00 65715.83 82846.00 60440.50 42679.00 102047.67 110779.00 88306.50 59558.50 74895.00 53140.00 63051.00 73832.33 51494.00 98870.00 145961.00 65741.62 103264.25 86413.67
glutamine
9102.00 11583.00 8102.00 8741.00 13277.00 16191.50 11918.12 7716.00 12353.38 9352.00 11480.00 22066.17 14603.00 11401.50 12194.00 13600.00 9785.50 12045.50 14305.50 14389.00 8507.00 9000.00 15181.00 8684.00 13114.00 13160.00 14305.00 12156.00 12203.56
glyceric acid
8066.00 1764.00 5170.00 9259.00 6544.00 4952.00 4496.25 4219.00 6570.38 12393.00 7893.00 3660.17 4261.50 4043.50 3450.00 6467.67 9191.00 6681.00 6276.00 6589.50 3409.00 6341.00 4209.33 3600.00 9206.33 6633.00 5109.75 5675.50 6267.56
glycerol
26722.00 28739.00 19571.00 29397.00 17182.00 25493.50 21771.12 37857.00 23687.12 33507.00 19092.00 18498.33 20556.00 24916.00 27167.00 24042.17 20374.50 36238.50 30829.50 36087.50 28381.00 39403.00 16581.00 18169.00 30159.33 22339.00 26616.38 30623.62 27883.44
glycerol-3-galactoside
322.00 1164.00 156.00 606.00 244.00 413.00 249.25 919.00 444.62 905.00 508.00 259.83 178.50 326.00 291.00 306.50 288.00 406.00 189.50 792.00 230.00 447.00 266.33 293.00 387.33 402.00 791.88 2356.88 827.56
glycerol-alpha-phosphate
12968.00 16199.00 7762.00 10072.00 2860.50 5217.50 5479.12 4288.00 6729.38 12965.00 57518.00 6502.00 4509.50 6401.00 8935.00 10705.50 7239.00 5207.00 6639.50 3465.50 7816.00 7236.00 4609.67 3303.00 11568.00 4488.00 4590.62 9019.38 6640.22
glycerol-beta-phosphate
428.00 119.00 195.00 373.00 228.50 251.50 242.50 163.00 208.50 297.00 346.00 224.67 201.50 258.00 619.00 255.17 303.00 239.00 207.00 222.00 234.00 622.00 212.00 148.00 304.00 270.00 218.38 261.38 184.44
glycine
343844.00 258549.00 451864.00 323169.00 342838.00 359873.00 345122.62 440113.00 397862.88 401354.00 252623.00 302369.83 366505.50 309258.00 249864.00 339834.83 317688.50 391725.50 256075.50 405295.50 281158.00 389666.00 342442.33 307366.00 405250.67 299000.00 345698.12 374915.12 330928.89
glycocyamine
181.00 212.00 162.00 203.00 195.50 231.00 184.25 117.00 155.25 189.00 243.00 207.00 224.50 177.50 354.00 229.33 202.00 289.00 240.50 473.00 190.00 226.00 191.33 170.00 214.67 326.00 214.12 242.38 250.11
glycolic acid
2349.00 701.00 993.00 1709.00 1206.50 1800.00 1331.88 935.00 1084.62 1792.00 1327.00 1386.00 1136.00 1130.00 3513.00 1071.33 1386.00 1010.00 1464.50 1074.00 1157.00 1059.00 1411.67 966.00 1367.33 1065.00 1338.38 1329.12 1195.22
guanine
3729.00 812.00 1724.00 2168.00 4882.00 2473.00 3799.75 5001.00 3819.00 4371.00 2279.00 2744.00 4613.00 3748.00 3048.00 3529.83 1304.50 7847.50 3457.50 3038.50 3305.00 4814.00 4493.33 5639.00 5222.00 2794.00 3946.25 3042.25 3713.67
guanosine
7374.00 3174.00 6871.00 6303.00 3193.00 4742.00 4318.38 3666.00 3587.12 7326.00 7646.00 3304.83 4198.50 3998.50 6576.00 5546.50 1901.00 6539.50 1866.00 3522.00 4546.00 5590.00 5465.33 1304.00 5793.33 3648.00 5278.12 3143.00 4398.56
histidine
2823.00 6005.00 4268.00 7387.00 7791.00 4890.00 6016.62 4453.00 4359.00 3263.00 1803.00 9134.33 9706.50 5515.50 6495.00 4408.00 2857.00 4323.00 4251.50 5452.00 5463.00 4143.00 11505.67 8719.00 4316.33 5651.00 7911.25 4756.25 6150.67
homoserine
112.00 84.00 135.00 110.00 131.50 175.00 134.50 76.00 138.62 125.00 204.00 134.17 110.50 168.00 369.00 135.83 145.50 118.00 176.00 233.00 100.00 105.00 144.00 100.00 133.33 188.00 130.75 152.00 165.33
hydroxycarbamate NIST
815.00 244.00 397.00 730.00 588.50 595.00 544.88 477.00 364.25 360.00 742.00 541.00 448.00 447.50 1294.00 526.17 545.50 449.00 430.50 306.00 651.00 289.00 438.67 355.00 488.33 352.00 431.62 434.00 369.78
hydroxylamine
11435.00 2647.00 5177.00 12016.00 7273.50 10530.00 7551.25 5650.00 4269.62 3478.00 10963.00 9390.67 6928.50 7167.00 21778.00 6876.67 6162.50 6313.00 7103.00 4937.00 8090.00 3217.00 7767.33 2971.00 6782.33 4927.00 7883.12 5137.75 4038.78
hypoxanthine
40889.00 59644.00 23237.00 36258.00 53062.00 44835.00 45400.12 70493.00 53045.50 57583.00 49560.00 35673.67 60022.00 46171.00 30326.00 44964.67 15697.00 84685.00 35543.50 63013.50 38548.00 58173.00 42093.67 76832.00 57791.67 58146.00 52338.25 57574.38 52406.11
icosenoic acid
632.00 1119.00 347.00 1217.00 727.00 786.00 690.00 699.00 501.75 457.00 269.00 629.17 437.00 698.50 1592.00 625.50 455.00 543.00 771.00 406.50 691.00 544.00 642.33 560.00 305.00 360.00 1081.75 1209.25 539.78
indole-3-lactate
164.00 242.00 200.00 160.00 253.50 183.50 219.50 123.00 245.75 161.00 163.00 274.33 205.00 193.00 428.00 299.67 657.50 289.50 213.00 243.50 401.00 252.00 253.00 154.00 290.33 280.00 304.50 254.38 234.00
inosine
58750.00 40750.00 58417.00 52521.00 24496.50 35735.00 33527.75 30704.00 31208.88 54233.00 109493.00 28192.33 31465.00 27593.00 43906.00 47389.17 19128.00 45465.50 13115.00 28697.50 32240.00 34767.00 33689.67 6638.00 40451.67 29282.00 37035.62 28082.38 33893.89
inosine 5^-monophosphate
146.00 80.00 96.00 253.00 115.00 158.00 115.12 216.00 705.50 136.00 146.00 420.83 125.00 136.00 350.00 383.17 2128.50 70.50 136.50 1146.50 103.00 85.00 173.33 122.00 690.33 2047.00 136.25 513.75 298.89
inositol-4-monophosphate
322.00 119.00 234.00 363.00 318.50 406.50 287.75 135.00 141.25 213.00 264.00 263.50 218.50 227.00 634.00 280.67 224.50 184.50 400.00 156.00 340.00 168.00 290.33 295.00 227.33 190.00 504.00 263.00 216.22
inositol allo-
959.00 385.00 232.00 199.00 296.50 356.00 248.12 159.00 133.62 224.00 242.00 298.50 141.50 332.00 505.00 214.50 186.50 424.00 176.00 192.50 373.00 98.00 295.33 159.00 250.67 152.00 228.88 307.62 238.22
inositol myo-
323196.00 48059.00 255754.00 152570.00 312230.50 314590.00 264424.12 164046.00 284524.50 301142.00 261632.00 264273.33 234286.50 258500.00 258180.00 230903.67 360248.50 237646.50 189122.50 132778.00 426472.00 308281.00 154137.00 166146.00 173512.67 232053.00 255584.88 289790.25 266151.67
isoheptadecanoic acid
4657.00 1894.00 3012.00 5893.00 2720.50 3301.50 3213.88 3034.00 2534.00 2233.00 4718.00 3657.17 2969.00 2583.00 6878.00 3405.17 2957.00 2454.50 3666.50 3677.50 2620.00 1814.00 3441.67 2471.00 2521.00 2147.00 3142.50 3097.62 2866.44
isoleucine
25625.00 108894.00 29871.00 44322.00 44348.50 45202.00 39398.62 60431.00 49756.00 43151.00 38792.00 33476.83 47091.00 36533.00 41591.00 35654.67 33275.50 54849.50 42177.50 68071.50 40160.00 62435.00 41121.00 49511.00 49279.67 51926.00 51500.50 49310.00 49885.22
isothreonic acid
493.00 830.00 574.00 454.00 894.50 1780.50 641.25 819.00 805.88 1673.00 726.00 755.67 550.50 699.00 678.00 685.83 966.00 504.50 835.00 1321.50 1167.00 587.00 519.00 426.00 798.00 676.00 597.38 781.00 840.67
kynurenine
918.00 3018.00 476.00 2349.00 1723.50 1109.50 759.00 1471.00 487.75 446.00 246.00 372.17 1794.50 720.00 1567.00 348.17 238.00 587.50 556.50 1205.50 739.00 166.00 1519.33 414.00 479.33 238.00 1124.62 726.75 904.67
lauric acid
11434.00 4945.00 10381.00 8827.00 10119.50 6121.50 7628.00 3472.00 7633.62 5278.00 13622.00 10780.67 7542.00 5229.50 10653.00 8446.67 8362.00 5347.00 8644.00 7140.50 4559.00 4025.00 9929.67 7344.00 6637.33 4115.00 9635.12 8983.12 5587.56
leucine
81568.00 385790.00 80359.00 114106.00 114730.50 100099.00 97578.00 218377.00 125247.50 139257.00 89275.00 79239.67 112764.50 93220.00 121379.00 80877.50 75849.00 128247.00 92600.50 157046.00 95947.00 164217.00 110486.33 212697.00 114085.33 118248.00 130796.25 116423.88 127760.67
levoglucosan
439.00 159.00 206.00 295.00 260.00 420.50 466.75 307.00 480.88 388.00 536.00 557.50 226.00 218.50 649.00 484.33 307.50 180.50 312.00 259.00 266.00 197.00 273.67 161.00 351.33 284.00 322.00 319.75 340.33
linoleic acid
765.00 1382.00 665.00 2193.00 1060.50 554.50 1247.88 3070.00 980.38 1630.00 1465.00 1230.00 1184.00 1055.50 1688.00 1334.17 904.50 1621.00 511.50 1720.00 1731.00 2220.00 915.67 464.00 1625.33 1130.00 1413.25 1431.38 1283.89
lysine
10456.00 4429.00 14791.00 37688.00 36771.50 14120.50 21589.50 3504.00 6122.00 4208.00 5712.00 36704.17 31832.00 17628.50 54651.00 10411.33 8960.50 3500.50 11498.00 8757.50 14218.00 3503.00 65130.67 22620.00 14096.33 8464.00 35508.38 10466.25 14659.33
maleimide
895.00 1056.00 746.00 769.00 574.00 749.50 588.50 380.00 447.12 703.00 889.00 633.50 438.00 529.00 1239.00 580.50 434.00 410.50 453.00 379.50 357.00 480.00 544.33 751.00 859.67 784.00 674.12 686.50 502.78
malic acid
2728.00 1328.00 2430.00 4260.00 3668.50 3593.00 2588.62 2969.00 3286.25 4868.00 2018.00 2671.67 2977.50 1985.00 1578.00 3763.17 4279.50 3366.00 6531.00 4381.50 3548.00 1745.00 2816.67 1659.00 3147.00 4221.00 2012.38 4230.38 3131.67
maltose
2001.00 7418.00 751.00 1906.00 3067.00 4774.50 1721.75 5059.00 3378.75 5463.00 11847.00 1792.83 1100.50 2063.50 4917.00 5891.33 2097.50 2542.50 1807.50 999.50 1548.00 1811.00 2285.00 2657.00 4299.00 1855.00 2662.12 3679.25 3325.22
maltotriose
4264.00 4923.00 287.00 3714.00 8765.00 8882.50 2487.12 5619.00 5034.62 12844.00 2781.00 3295.67 1204.50 4040.50 13432.00 10939.50 766.50 3879.50 3101.00 2801.50 3740.00 3072.00 4711.67 677.00 5449.33 2511.00 4865.50 5415.75 4920.44
mannitol
2336.00 1405.00 7707.00 4992.00 4009.50 2796.00 6419.75 3762.00 3842.88 3944.00 1372.00 9396.67 5483.00 3227.00 2352.00 6102.17 5060.50 4052.00 2967.50 2478.00 4612.00 2685.00 7697.67 1484.00 5995.00 2799.00 3850.62 3258.12 5714.67
mannose
3075.00 2705.00 641.00 3672.00 3434.00 2146.00 3268.12 2126.00 3025.62 3237.00 2254.00 4203.17 3688.00 4582.50 2842.00 5015.83 453.00 1526.00 4020.00 3209.50 5089.00 915.00 6631.33 1710.00 6331.67 3529.00 3179.38 3437.62 4102.89
methanolphosphate
18543.00 4209.00 3751.00 16398.00 4614.00 6454.00 3864.12 2926.00 4037.88 3961.00 5067.00 3847.83 3677.00 3550.50 5647.00 4372.83 4180.50 2387.50 5294.50 5020.50 2975.00 2214.00 5578.00 2116.00 4821.67 4530.00 3717.12 5734.62 3998.33
methionine
7550.00 34692.00 8316.00 12318.00 12481.00 10258.50 9417.12 16699.00 11389.50 12318.00 7665.00 8039.83 10995.50 9228.50 11309.00 8215.83 5693.50 11805.50 3111.50 14186.00 7640.00 16299.00 9961.33 23585.00 9782.33 10850.00 12023.50 10891.00 11956.33
methionine sulfoxide
589.00 731.00 323.00 806.00 680.50 2683.50 1329.62 450.00 440.75 726.00 448.00 860.83 908.00 804.50 1268.00 457.00 446.50 432.50 4085.00 613.00 693.00 475.00 833.67 3280.00 581.00 866.00 1338.00 661.38 735.89
myristic acid
3211.00 1490.00 2092.00 4404.00 1976.00 2153.50 2200.25 2262.00 1687.12 1763.00 3152.00 2658.17 2323.00 1888.00 3745.00 2432.00 2208.00 1757.50 2117.50 2242.50 1922.00 1652.00 2269.00 1552.00 2010.67 1292.00 2479.50 2256.12 1882.78
N-acetyl-D-mannosamine
668.00 493.00 345.00 647.00 389.50 477.00 383.38 368.00 568.62 396.00 578.00 332.00 433.50 392.50 756.00 483.17 690.50 873.00 435.00 816.50 517.00 604.00 350.00 423.00 592.67 581.00 403.62 536.62 436.89
nicotinamide
2781.00 11736.00 4587.00 1994.00 3884.00 6846.00 4385.88 10667.00 6934.50 10453.00 6992.00 3046.00 4458.00 5361.00 2448.00 5051.17 5204.00 8416.00 2746.00 4803.50 5290.00 7748.00 4490.00 4960.00 7904.33 6741.00 5470.88 6727.00 6717.33
N-methylalanine
2448.00 60.00 10085.00 5482.00 8351.00 8166.50 7805.50 5107.00 9056.50 5518.00 10511.00 7432.17 9922.00 8853.00 5898.00 8027.33 11600.50 9145.00 7170.00 14228.50 7295.00 7317.00 7350.67 8860.00 10170.00 12197.00 6720.62 6790.12 8554.56
octadecane-1,12-diol NIST
420.00 174.00 91.00 413.00 261.50 288.50 265.75 196.00 191.12 167.00 225.00 323.50 189.50 250.50 748.00 207.17 262.50 227.00 260.50 235.50 207.00 146.00 301.67 204.00 264.33 240.00 304.12 242.12 195.56
octadecanol
600.00 328.00 342.00 547.00 607.50 1264.50 658.50 550.00 404.88 414.00 950.00 4970.33 379.50 713.00 2105.00 504.67 888.50 297.50 586.00 474.50 713.00 331.00 514.00 631.00 659.00 722.00 572.62 654.25 566.11
oleic acid
3338.00 4741.00 2606.00 7706.00 3414.50 2468.00 3842.38 5457.00 2596.62 2677.00 3463.00 4165.33 3405.00 4065.50 3808.00 3886.33 2607.00 4436.50 2656.50 5481.00 4431.00 4377.00 3536.33 2704.00 3618.00 2555.00 4614.25 4260.00 3598.11
ornithine
3216.00 2696.00 5253.00 5998.00 9136.50 5842.50 7318.00 3723.00 3479.38 2204.00 2982.00 10116.83 8484.00 6916.00 7807.00 4246.83 3465.50 2805.50 7002.00 4852.00 5777.00 2579.00 8991.00 8164.00 3441.67 4139.00 7664.88 4821.00 5347.78
orotic acid
164.00 125.00 117.00 173.00 140.50 176.50 246.50 243.00 320.62 238.00 147.00 148.17 178.50 149.50 247.00 148.17 298.00 104.50 167.50 114.50 177.00 98.00 149.33 214.00 162.33 284.00 194.38 256.00 189.56
oxalic acid
35743.00 5100.00 34608.00 21537.00 30174.50 30108.50 32919.75 16614.00 24464.12 19211.00 28980.00 26556.83 29448.50 31360.50 33585.00 37481.83 32838.00 20971.50 30185.00 17785.00 26860.00 13058.00 29395.67 11155.00 22770.33 23320.00 19358.00 25077.50 34380.11
oxoproline
105704.00 71763.00 112762.00 72307.00 105202.00 104459.00 98395.38 89757.00 119741.00 109486.00 97907.00 87681.00 97443.50 102395.00 55824.00 121073.83 111225.00 122539.50 98903.00 98705.00 85165.00 82190.00 78065.33 62477.00 109063.00 138125.00 99076.50 105188.00 107206.67
palmitic acid
65599.00 19643.00 38189.00 81078.00 36353.50 33962.00 39801.25 40912.00 30060.00 21965.00 60629.00 48080.50 38928.50 27687.00 61898.00 46700.17 36063.00 34312.50 44161.50 33545.00 29541.00 23850.00 41649.67 24402.00 26169.00 22633.00 38442.50 33198.50 33200.11
pantothenic acid
1085.00 466.00 670.00 1134.00 1014.50 1019.50 1571.00 586.00 930.50 922.00 1065.00 1184.17 1104.00 1234.00 1460.00 1020.83 981.00 1302.00 545.00 834.00 977.00 819.00 1088.00 615.00 936.67 983.00 929.75 951.25 1024.22
pelargonic acid
28035.00 9360.00 12182.00 14168.00 27913.50 16667.50 18311.00 6759.00 12659.75 12856.00 15784.00 21602.83 13366.00 20563.50 38992.00 16218.83 17782.50 12544.50 24486.50 11211.00 15709.00 7892.00 20955.33 15010.00 14686.00 12949.00 15026.25 16597.75 15921.44
pentadecanoic acid
3449.00 4780.00 3052.00 4520.00 2965.00 4115.00 3772.12 2602.00 2533.88 3324.00 3550.00 4146.83 3133.50 4119.00 4313.00 3216.00 3052.50 2312.50 2943.00 3548.50 4096.00 2482.00 3306.67 3168.00 2982.33 2456.00 4381.50 3288.00 3549.00
phenylalanine
15571.00 78423.00 17255.00 23732.00 26607.50 26138.00 23295.50 43725.00 26934.00 38277.00 17781.00 20463.33 25803.00 23834.00 32848.00 20961.33 14560.50 29371.50 19508.00 38228.50 16503.00 36104.00 26679.00 48525.00 29705.67 25771.00 30083.00 28124.62 29299.56
phenylethylamine
2768.00 444.00 1348.00 1750.00 2569.50 1114.00 2134.62 610.00 1349.75 485.00 1792.00 788.67 2186.00 1523.50 1087.00 1374.00 1023.00 1201.00 658.00 1597.00 1705.00 355.00 2674.00 497.00 1631.00 1386.00 2026.75 1650.25 1444.89
phenylpyruvic acid
332.00 381.00 236.00 396.00 394.50 459.00 384.38 308.00 451.62 377.00 547.00 321.83 340.50 351.50 623.00 408.00 418.50 400.50 508.00 518.50 321.00 352.00 520.33 403.00 491.33 460.00 531.75 417.00 427.78
phosphoethanolamine
6066.00 5519.00 20224.00 36769.00 17202.50 20908.50 14496.62 6599.00 19353.62 21101.00 10296.00 16006.67 16414.00 15537.50 11866.00 18649.17 12458.00 15859.00 12103.00 18233.00 9199.00 4519.00 18776.00 1727.00 16595.67 31277.00 10669.25 23987.75 18822.11
phosphoric acid
57497.00 23030.00 35479.00 47024.00 30548.00 55436.50 30304.62 17291.00 31995.88 26780.00 31097.00 27300.33 24304.00 26559.50 43136.00 36052.67 37324.00 30181.50 49802.50 30890.00 28583.00 19608.00 24563.67 20640.00 26998.00 12007.00 26810.00 36508.12 26219.56
pipecolic acid
198.00 194.00 149.00 138.00 157.00 216.00 194.50 174.00 206.88 215.00 258.00 232.00 232.00 239.50 394.00 255.33 302.00 217.50 217.50 259.00 215.00 195.00 206.00 196.00 254.33 291.00 231.12 257.62 266.89
proline
32214.00 163263.00 41694.00 62936.00 68007.50 57842.50 59940.12 117856.00 119848.12 99602.00 81200.00 53326.67 60565.50 50922.00 43851.00 78419.67 58298.00 75963.50 54528.00 102887.50 51481.00 89851.00 70624.67 88412.00 103050.00 95727.00 86900.25 97100.38 94556.44
pseudo uridine
347.00 499.00 563.00 598.00 735.50 761.00 977.12 704.00 1021.75 566.00 606.00 987.67 747.00 911.50 877.00 883.67 763.00 949.00 1018.00 1144.50 1243.00 828.00 1130.00 594.00 1041.00 644.00 925.25 872.62 888.33
putrescine
337.00 831.00 170.00 356.00 399.50 471.50 450.62 212.00 305.75 417.00 230.00 406.50 264.50 340.50 966.00 355.17 271.00 225.50 522.00 745.50 244.00 933.00 578.67 361.00 499.67 459.00 392.38 533.38 376.22
pyrophosphate
248.00 83.00 317.00 519.00 416.50 415.50 437.50 339.00 451.62 467.00 952.00 451.67 369.00 326.50 557.00 514.33 573.00 289.50 667.50 354.50 203.00 272.00 546.00 219.00 457.67 293.00 503.62 435.62 375.11
quinic acid
108.00 65.00 73.00 104.00 414.50 281.00 359.00 46.00 338.50 77.00 128.00 111.83 88.00 108.50 310.00 87.50 125.00 75.50 458.50 197.00 113.00 56.00 222.33 85.00 77.33 95.00 163.00 102.00 93.11
ribitol
343.00 420.00 257.00 455.00 342.00 1049.00 396.00 763.00 618.62 1173.00 698.00 269.67 269.50 249.50 612.00 606.33 486.50 587.00 388.00 564.00 376.00 438.00 273.33 183.00 638.33 708.00 379.88 713.88 449.33
ribonic acid
264.00 121.00 174.00 258.00 855.00 1124.00 314.12 357.00 224.38 402.00 212.00 364.83 206.50 356.00 365.00 260.33 470.50 146.00 590.50 829.50 964.00 186.00 242.33 303.00 323.33 292.00 280.62 363.75 220.67
ribose
3304.00 1234.00 427.00 1067.00 900.00 800.00 503.25 331.00 425.25 1131.00 1023.00 634.67 609.00 584.50 885.00 763.33 266.50 452.00 393.50 759.50 461.00 653.00 1291.00 422.00 1210.67 579.00 703.88 654.75 645.33
salicylaldehyde
2001.00 446.00 678.00 595.00 780.00 532.50 789.75 1041.00 567.88 546.00 1835.00 750.83 751.00 550.50 1611.00 977.00 1147.00 762.50 794.50 583.00 613.00 302.00 496.33 451.00 1068.67 392.00 794.25 596.88 582.56
serine
43579.00 63024.00 48034.00 64403.00 60607.50 52982.00 46306.88 57775.00 42730.75 41647.00 31369.00 44822.50 53064.00 41257.50 50180.00 38802.83 34750.50 46372.00 50287.00 48363.50 31578.00 54419.00 58845.33 65675.00 44548.00 45295.00 50572.12 51461.25 51453.33
shikimic acid
489.00 897.00 180.00 429.00 233.00 522.00 275.75 204.00 274.50 213.00 313.00 297.67 422.50 217.50 512.00 315.17 239.50 344.00 290.00 210.50 224.00 167.00 236.33 263.00 232.33 204.00 350.38 361.00 241.78
sorbitol
260.00 472.00 368.00 400.00 407.00 207.00 509.62 468.00 385.50 602.00 72.00 591.33 316.50 149.00 553.00 1072.83 605.00 511.50 6670.00 458.50 371.00 496.00 344.67 477.00 532.67 106.00 522.00 427.12 373.67
spermidine
334.00 115.00 198.00 320.00 493.50 187.00 251.00 83.00 135.00 174.00 140.00 321.67 337.00 283.00 512.00 236.67 152.50 182.00 179.50 305.00 351.00 155.00 430.33 243.00 146.00 112.00 258.00 223.75 214.22
stearic acid
534901.00 98720.00 263517.00 480096.00 199616.00 167675.50 244278.88 276012.00 184741.75 113160.00 409050.00 309691.67 260056.00 129001.00 338115.00 307463.83 205175.00 218134.00 305100.50 184189.00 128440.00 116130.00 277616.00 110870.00 149799.33 127347.00 213103.50 177825.62 204322.67
stigmasterol
471.00 159.00 113.00 393.00 268.00 262.50 267.75 176.00 190.62 223.00 257.00 225.17 159.00 281.00 770.00 236.00 193.00 152.00 157.50 246.50 331.00 204.00 338.67 143.00 243.00 180.00 257.50 269.50 207.44
succinic acid
997.00 231.00 1082.00 1809.00 1157.50 1176.00 1156.50 903.00 1459.00 621.00 592.00 1015.67 917.00 1056.50 638.00 1427.00 1277.50 1333.50 2162.50 927.50 1508.00 996.00 1019.33 489.00 1145.33 350.00 1134.25 2506.38 1290.22
sucrose
257.00 457.00 998.00 330.00 80.50 213.00 755.25 320.00 337.00 1575.00 4253.00 271.67 363.50 1128.50 251.00 452.67 389.50 1413.00 1097.50 1497.00 274.00 80.00 180.33 71.00 195.67 32.00 463.75 207.50 356.67
tagatose
130.00 78.00 127.00 120.00 160.00 148.00 170.50 63.00 96.88 109.00 115.00 152.33 86.50 203.50 299.00 108.33 143.00 73.50 122.00 91.00 169.00 122.00 154.00 317.00 79.33 103.00 163.62 156.50 129.33
taurine
116914.00 75571.00 161342.00 91252.00 82058.00 86677.00 94053.00 75520.00 151168.00 104758.00 74285.00 71369.50 127665.00 104795.50 45344.00 97140.50 196887.00 159518.50 126296.00 109587.50 116078.00 130693.00 98800.33 73789.00 103268.67 209905.00 81817.38 99405.62 113840.22
threitol
191.00 80.00 174.00 132.00 260.50 331.50 277.62 117.00 244.88 121.00 194.00 253.67 227.50 243.00 324.00 193.17 191.00 202.50 166.50 183.00 237.00 288.00 362.00 275.00 303.00 230.00 218.00 227.50 242.33
threonic acid
7618.00 1175.00 9734.00 6663.00 6289.00 4247.50 6211.50 3775.00 8188.00 9121.00 6223.00 5883.33 8067.00 6038.50 5172.00 8431.83 11922.50 7636.50 5947.00 6517.50 5499.00 3886.00 7315.67 2916.00 7186.33 8011.00 5066.25 5541.12 6856.56
threonine
25898.00 46904.00 30398.00 38842.00 38066.50 36549.50 31083.25 38664.00 36101.25 28835.00 32053.00 27943.17 36365.00 29763.50 31016.00 27108.83 30314.00 37017.50 32764.00 42728.50 22556.00 34573.00 37881.67 41556.00 35340.00 34881.00 34263.38 37008.62 38469.89
thymine
145.00 291.00 78.00 135.00 130.50 168.00 134.88 134.00 135.50 146.00 167.00 164.50 100.00 174.50 402.00 127.00 187.50 177.50 148.50 294.50 125.00 81.00 154.67 109.00 165.00 199.00 159.50 165.25 140.89
tocopherol alpha
1450.00 2812.00 1483.00 4169.00 999.00 1543.00 1105.12 818.00 2945.88 2350.00 5312.00 1335.17 719.00 447.50 1504.00 2407.17 2207.50 2458.50 461.00 1520.00 331.00 2079.00 1575.67 165.00 3492.67 1085.00 591.38 1803.88 1219.00
trans-4-hydroxyproline
554.00 271.00 492.00 475.00 328.50 519.50 396.00 322.00 467.00 356.00 654.00 326.67 292.50 339.00 509.00 548.17 405.00 336.00 342.00 561.00 342.00 385.00 363.67 297.00 581.67 714.00 395.50 420.62 407.56
trehalose
2722.00 10021.00 911.00 2425.00 3737.50 6401.00 2129.00 6316.00 4621.12 7704.00 16580.00 2185.50 1371.00 2359.00 5784.00 7616.67 2859.00 3172.00 2190.50 1296.50 1726.00 2319.00 2929.33 3332.00 5746.00 2413.00 3331.38 4689.75 4564.11
triethanolamine
437.00 161.00 474.00 210.00 218.00 279.50 383.62 267.00 223.38 155.00 1177.00 285.17 330.50 216.50 807.00 234.83 243.50 216.50 220.50 162.50 203.00 120.00 301.67 229.00 271.67 288.00 346.12 255.25 228.67
tryptophan
615.00 4525.00 286.00 1517.00 7611.00 509.00 9335.38 5112.00 7642.25 4181.00 4997.00 10861.50 5076.50 10808.50 11401.00 7799.33 5760.00 7525.00 5095.00 13152.00 7773.00 12173.00 7630.67 43757.00 9600.33 7494.00 8238.75 6381.88 8679.67
tyrosine
24003.00 105227.00 25008.00 44915.00 43134.00 34149.50 35941.50 60725.00 40301.75 50664.00 23213.00 34844.33 44317.00 31237.50 47990.00 32198.50 26686.50 41752.50 27940.00 56875.50 25384.00 41598.00 48963.33 46616.00 42480.67 37104.00 43109.00 41281.88 45488.00
UDP GlcNAc
318.00 442.00 267.00 428.00 148.00 236.00 121.12 320.00 452.88 411.00 350.00 155.00 139.50 147.50 354.00 354.00 377.00 114.00 230.50 204.00 79.00 129.00 278.67 66.00 460.33 440.00 133.38 490.12 214.33
UDP-glucuronic acid
187.00 212.00 175.00 248.00 156.00 392.50 210.88 376.00 269.62 414.00 408.00 268.33 117.50 138.50 350.00 294.67 175.50 131.00 221.50 267.00 137.00 196.00 209.33 157.00 265.00 262.00 238.38 290.62 185.89
uracil
15438.00 26112.00 14068.00 24754.00 22845.00 22519.50 15814.50 44600.00 26672.25 29410.00 15409.00 8319.50 21138.00 11320.50 5474.00 20047.00 7235.50 33753.50 17740.50 28812.50 8726.00 25575.00 19128.33 31952.00 24009.67 22970.00 19914.62 28699.38 21878.67
urea
33928.00 30968.00 68894.00 83474.00 102783.00 164501.00 126120.50 71122.00 106255.38 61293.00 93851.00 94889.33 74894.50 94411.00 102701.00 91044.17 110717.00 72835.50 110376.50 98558.50 183715.00 109410.00 100021.00 123706.00 144538.33 197700.00 99151.38 110173.75 106795.44
uric acid
1082.00 948.00 3503.00 1435.00 2539.50 2008.00 2534.12 2043.00 4412.00 2815.00 1624.00 3397.50 5663.00 1983.50 1511.00 4252.67 6002.50 4715.00 2142.50 5243.50 7534.00 6773.00 2658.00 133.00 3174.00 5253.00 2639.12 4003.88 2167.56
uridine
2742.00 2719.00 517.00 269.00 2251.50 1373.50 1859.38 1710.00 1003.62 2048.00 499.00 2043.83 2278.50 1845.50 3741.00 1552.33 274.50 1824.50 1459.50 2293.00 1652.00 1963.00 2738.00 2577.00 2469.00 1124.00 2406.50 970.62 1783.78
uridine-5^-monophosphate
249.00 29.00 83.00 244.00 88.00 329.50 124.88 17.00 114.75 82.00 134.00 105.17 94.00 101.00 306.00 129.50 123.00 86.50 99.00 103.00 91.00 78.00 139.00 80.00 240.33 193.00 206.88 141.88 101.33
valine
57860.00 165499.00 65814.00 85463.00 99329.00 92100.50 98960.62 136549.00 104117.75 95151.00 74486.00 83176.17 107415.00 101844.50 95218.00 72511.67 80977.00 104110.00 101515.00 132420.00 116330.00 136947.00 100878.00 192602.00 97184.33 110171.00 105883.50 101804.50 111651.11
xanthine
276.00 5429.00 228.00 1441.00 737.50 1896.50 514.25 733.00 2170.62 1204.00 132.00 467.67 874.50 495.50 549.00 793.50 1372.50 2802.00 702.00 4100.50 516.00 882.00 489.00 1344.00 734.00 2265.00 991.38 1288.12 994.44
xanthosine
150.00 55.00 60.00 131.00 130.00 185.00 137.00 61.00 142.50 92.00 129.00 130.50 101.50 130.00 409.00 114.67 104.50 250.50 151.00 113.50 115.00 96.00 122.67 110.00 113.67 141.00 141.75 127.88 102.11
xylitol
1448.00 622.00 642.00 628.00 592.50 867.50 498.00 1423.00 985.25 1937.00 336.00 504.00 709.00 386.50 461.00 730.67 673.00 760.00 1129.00 1375.50 851.00 1164.00 603.00 382.00 1059.00 1151.00 574.62 684.62 817.44

Factors:

F1Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F2Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F3Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F4Sex:F | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F5Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma, multiple primaries | Tumor Present:No
F6Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma, multiple primaries | Tumor Present:Yes
F7Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F8Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:No
F9Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F10Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:Yes
F11Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ bac | Tumor Present:No
F12Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F13Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/BAC | Tumor Present:No
F14Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma w/ BAC | Tumor Present:No
F15Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ bac | Tumor Present:Yes
F16Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F17Sex:F | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/BAC | Tumor Present:Yes
F18Sex:F | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma w/ BAC | Tumor Present:Yes
F19Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F20Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F21Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F22Sex:M | Smoking Status:Current Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F23Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:No
F24Sex:M | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:No
F25Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma | Tumor Present:Yes
F26Sex:M | Smoking Status:Ex-Smoker | Diagnosis:Adenocarcinoma | Tumor Present:Yes
F27Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:No
F28Sex:M | Smoking Status:Ex-Smoker | Diagnosis:adenocarcinoma w/ BAC | Tumor Present:Yes
F29Sex:- | Smoking Status:- | Diagnosis:- | Tumor Present:-
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