Data for ST002587
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2-hydroxyglutaric (433,245) | 7346.62 | 8272.28 | 17470.14 | 16394.80 | 18771.56 | 19033.57 | 15583.80 | 10309.25 | 16074.62 | 16504.01 | 10620.86 | 6772.00 | 12668.20 | 12786.47 | 8546.40 | 5064.23 | 13597.67 | 9717.28 | |
| 2-hydroxyglutaric M+1 | 2604.77 | 3118.03 | 6294.44 | 6246.91 | 6319.03 | 7035.19 | 5584.50 | 4106.80 | 5505.62 | 6448.31 | 3708.26 | 2573.12 | 4927.91 | 4836.02 | 3082.42 | 1861.39 | 5309.12 | 3400.47 | |
| 2-hydroxyglutaric M+2 | 1186.99 | 1522.33 | 3438.55 | 2767.03 | 3270.93 | 3452.14 | 3437.67 | 1880.22 | 2780.15 | 2903.57 | 2221.90 | 1117.97 | 2077.81 | 2289.69 | 1753.62 | 810.40 | 2437.30 | 1572.78 | |
| 2-hydroxyglutaric M+3 | 448.02 | 248.74 | 899.30 | 1363.04 | 654.52 | 927.86 | 842.87 | 907.09 | 739.31 | 703.21 | 409.53 | 311.93 | 498.04 | 443.63 | 459.23 | 348.42 | 631.28 | 496.96 | |
| 2-Hydroxyglutaric M+4 | 134.49 | 84.38 | 270.46 | 454.33 | - | 87.28 | 305.41 | 301.00 | - | 37.29 | 253.41 | 110.24 | - | - | - | 76.12 | 112.73 | 69.06 | |
| 2-hydroxyglutaric M+5 | 640.39 | - | - | 3310.64 | - | - | - | 3591.39 | - | - | - | 2122.89 | - | - | - | 1754.89 | - | - | |
| 2P-Glycerol M+0 | 14503.62 | 22853.30 | 1085.03 | 2106.16 | 1421.18 | 1500.11 | 1617.39 | 2272.87 | 2265.23 | 2847.55 | 6063.76 | 4947.99 | 6198.11 | 6845.12 | 5724.53 | 6225.08 | 6524.23 | 4985.10 | |
| 2P-Glycerol M+1 | 6779.00 | 11128.40 | 544.83 | 1016.56 | 377.75 | 656.48 | 754.86 | 986.05 | 1149.80 | 1537.64 | 2648.23 | 2289.05 | 2513.99 | 3312.22 | 2631.04 | 2934.81 | 2750.45 | 2538.57 | |
| 2P-Glycerol M+2 | 3525.07 | 5637.16 | 225.11 | 524.55 | 354.36 | 171.66 | 328.35 | 493.35 | 538.98 | 590.76 | 1430.16 | 1078.35 | 1487.48 | 1906.47 | 1383.04 | 1494.03 | 1525.53 | 1089.74 | |
| 2P-Glycerol M+3 | 974.10 | 1455.34 | 385.29 | 116.38 | - | - | 846.76 | 112.47 | 167.09 | 243.22 | 1084.41 | 275.48 | 261.49 | 504.50 | 846.03 | 478.29 | 571.41 | 354.31 | |
| 2-phosphoglycerate M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-phosphoglycerate M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-phosphoglycerate M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-phosphoGlycertate (585,383) | 285.34 | 425.07 | - | 226.13 | - | - | - | 155.80 | - | - | - | 275.99 | - | 269.79 | - | 566.74 | - | 136.84 | |
| 3-hydroxybutyrate (275,233) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-hydroxybutyrate M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric (275,260) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-Hydroxy isobutyric M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3P-glycerol M+0 | 21478.55 | 32593.90 | 1418.13 | 2873.62 | 1670.19 | 1714.40 | 1777.30 | 3248.06 | 3362.80 | 3821.88 | 7584.50 | 6486.06 | 7647.03 | 8539.44 | 8053.93 | 10046.01 | 6695.46 | 5929.12 | |
| 3P-glycerol M+1 | 10022.46 | 15483.99 | 628.68 | 1253.15 | 757.18 | 807.06 | 862.89 | 1246.51 | 1486.01 | 1641.31 | 3459.20 | 2933.21 | 3916.25 | 3942.77 | 4002.24 | 4648.55 | 3191.58 | 2698.51 | |
| 3P-glycerol M+2 | 5293.40 | 8261.84 | 272.12 | 587.12 | 491.79 | 594.92 | 327.31 | 753.63 | 703.12 | 1078.66 | 1896.85 | 1563.36 | 2076.89 | 2190.06 | 1959.93 | 2552.17 | 1777.89 | 1505.49 | |
| 3P-glycerol M+3 | 1710.42 | 2329.87 | 370.71 | 181.17 | - | 71.99 | 927.61 | 197.98 | 77.86 | 224.43 | 1614.98 | 424.59 | 647.63 | 575.06 | 1456.50 | 540.01 | 447.13 | 404.85 | |
| 3-phosphoglycerate (585,383) | 2499.48 | 2248.84 | - | 3790.77 | 1459.40 | 2007.77 | 351.26 | 1609.26 | 2775.40 | 1705.73 | - | 5697.58 | 4090.02 | 2936.49 | 73.29 | 4289.90 | 3445.78 | 2726.02 | |
| 3-phosphoglycerate M+1 | 1065.29 | 999.71 | - | 1625.53 | 495.38 | 700.20 | - | 751.97 | 1243.59 | 698.26 | - | 2593.48 | 2030.90 | 1409.39 | - | 2142.44 | 1611.75 | 1034.30 | |
| 3-phosphoglycerate M+2 | 518.87 | 589.00 | - | 909.09 | 227.01 | 318.52 | - | 262.51 | 692.00 | 258.63 | - | 1327.10 | 968.41 | 592.33 | - | 1068.13 | 663.44 | 576.15 | |
| 3-phosphoglycerate M+3 | 119.87 | 113.98 | 971.35 | 275.53 | 71.94 | - | 976.98 | 104.02 | 77.13 | - | 3088.23 | 330.55 | 176.54 | 206.13 | 1746.08 | 264.76 | 162.21 | 137.04 | |
| Adenine 2TBDMS | 8450.80 | 8697.62 | 5979.59 | 2952.47 | 4578.60 | 15829.43 | 4330.02 | 2686.18 | 25830.47 | 5087.37 | 13270.63 | 2518.66 | 5215.02 | 10463.85 | 7846.49 | 4423.55 | 5628.16 | 4975.00 | |
| Adenine M+1 | 2368.63 | 2563.66 | 1546.40 | 875.60 | 1245.55 | 4383.61 | 1241.55 | 764.91 | 7079.65 | 1513.11 | 3933.58 | 689.41 | 1463.41 | 2944.89 | 2037.04 | 1250.37 | 1980.72 | 1478.32 | |
| Adenine M+2 | 794.89 | 754.89 | 552.44 | 299.08 | 368.39 | 1495.81 | 449.70 | 221.34 | 2993.08 | 339.84 | 1476.93 | 215.69 | 457.96 | 912.47 | 737.01 | 464.73 | 675.23 | 365.67 | |
| Adenine M+3 | 212.56 | 81.05 | - | 38.25 | - | - | - | 1179.11 | - | 356.25 | - | - | - | 79.81 | - | 238.57 | - | 175.95 | |
| Adenine M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Adenine M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aketoglutarate (346,258) | 8413.63 | 16406.13 | 47174.93 | 21536.61 | 63082.17 | 60340.08 | 61068.00 | 49558.88 | 72116.65 | 104125.47 | 64319.11 | 41176.06 | 90317.57 | 104344.33 | 61126.47 | 39681.86 | 99643.05 | 90545.42 | |
| aketoglutarate m+1 | 2727.29 | 4113.71 | 12571.92 | 7209.68 | 16571.76 | 15555.13 | 16017.02 | 14308.68 | 19234.89 | 25324.57 | 17167.53 | 10937.35 | 22356.99 | 26587.04 | 16430.81 | 10873.66 | 27042.52 | 23697.74 | |
| aketoglutarate m+2 | 1346.47 | 1826.37 | 12040.63 | 4854.59 | 6782.68 | 6376.56 | 15262.53 | 7488.68 | 8166.98 | 10686.53 | 11829.68 | 5090.49 | 9925.10 | 11484.52 | 12309.08 | 5168.02 | 10876.94 | 9355.64 | |
| aketoglutarate m+3 | 1833.51 | 261.98 | 2887.62 | 8915.05 | 1475.11 | 1007.92 | 3769.20 | 10642.29 | 1554.25 | 2238.67 | 2489.53 | 4806.11 | 1317.48 | 1965.96 | 2695.34 | 6026.89 | 1803.82 | 1556.48 | |
| aketoglutarate m+4 | 710.11 | - | 1175.53 | 3536.76 | 202.59 | - | 1431.44 | 5008.78 | 134.43 | - | 915.99 | 3260.35 | 179.46 | 314.97 | 908.54 | 3817.27 | 255.99 | 304.85 | |
| aketoglutarate m+5 | 5738.15 | - | 270.76 | 33029.00 | - | - | 181.16 | 55769.91 | - | - | 74.86 | 52672.35 | - | 90.24 | 166.19 | 60770.11 | - | - | |
| Alanine (260,232) | 21961362.46 | 12577081.02 | 118781.99 | 73729.77 | 141746.57 | 197538.97 | 364345.81 | 182776.53 | 493134.84 | 370382.81 | 188639.72 | 132767.05 | 427613.60 | 567200.23 | 140724.38 | 128870.09 | 458130.83 | 395850.01 | |
| Alanine m+1 | 5728893.24 | 5506646.19 | 28540.21 | 16150.89 | 31365.63 | 44236.07 | 85657.81 | 42053.36 | 112184.40 | 84110.52 | 44959.57 | 30234.60 | 96679.52 | 127703.68 | 34157.25 | 29757.16 | 104470.95 | 92141.32 | |
| Alanine m+2 | 2364468.52 | 1245294.29 | 11848.29 | 6883.63 | 12783.24 | 18905.04 | 36371.78 | 17758.82 | 47026.68 | 35475.09 | 21283.30 | 12387.17 | 41578.59 | 50479.36 | 15984.70 | 11904.05 | 42793.47 | 36631.99 | |
| Alanine m+3 | 316896.98 | 185036.00 | 72484.85 | 1369.96 | 3404.00 | 2912.48 | 190365.32 | 3903.83 | 6610.60 | 5487.27 | 247020.75 | 2890.25 | 5872.30 | 7349.03 | 204512.39 | 3034.81 | 7397.51 | 5809.80 | |
| Aminoadipic 3TBDMS ? | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| aminoadipic M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Asparagine (417,302) | 6976.59 | 6686.50 | 85657.76 | 132185.88 | 92790.12 | 98178.73 | 107784.10 | 118757.87 | 203626.97 | 164524.84 | 116140.07 | 80822.67 | 90559.63 | 87991.61 | 52201.69 | 42921.00 | 74860.97 | 50155.22 | |
| Asparagine M+1 | 2313.84 | 2655.37 | 30908.31 | 47903.27 | 32004.97 | 35552.62 | 39572.38 | 41906.55 | 73089.86 | 58157.98 | 41467.36 | 28553.86 | 32008.98 | 31677.68 | 18589.60 | 15963.01 | 26237.95 | 17431.13 | |
| Asparagine M+2 | 1299.03 | 927.70 | 14220.63 | 23457.69 | 15075.19 | 15407.02 | 18047.26 | 20394.70 | 34750.83 | 27705.35 | 19878.29 | 13400.63 | 15354.67 | 14837.84 | 8954.10 | 7356.42 | 13660.78 | 8361.25 | |
| Asparagine M+3 | 645.92 | 128.34 | 3308.36 | 5606.67 | 3388.38 | 3748.69 | 4426.16 | 4801.67 | 8122.69 | 6614.78 | 4720.64 | 3114.51 | 3440.22 | 3580.33 | 2182.36 | 1839.97 | 3125.17 | 1932.43 | |
| Asparagine M+4 | 175.33 | - | 678.13 | 3253.94 | 699.47 | 859.95 | 1008.27 | 1676.01 | 1719.01 | 1418.29 | 1134.34 | 1289.48 | 979.98 | 997.55 | 362.14 | 619.18 | 567.86 | 342.34 | |
| Asparagine M+5 | 129.66 | - | 129.54 | 836.24 | - | 37.49 | 225.78 | 316.87 | 175.23 | 103.57 | 182.66 | 198.16 | 162.81 | - | - | 64.27 | - | - | |
| Asparagine M+6 | - | - | - | 255.52 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Asparagine M+7 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Aspartic (418,390) | 1584238.20 | 1878332.58 | 986747.80 | 512007.50 | 944589.59 | 1149162.01 | 845255.00 | 462638.61 | 1528535.34 | 1084942.80 | 3256416.09 | 1094483.32 | 3239088.50 | 3591319.76 | 2692913.11 | 989022.94 | 3125512.09 | 2635938.17 | |
| Aspartic M+1 | 579426.95 | 680394.44 | 353802.69 | 195285.87 | 330016.15 | 422537.24 | 303763.10 | 169743.70 | 543584.86 | 382734.46 | 1163768.24 | 394565.38 | 1164170.68 | 1309678.49 | 971397.96 | 357461.27 | 1106979.35 | 953212.93 | |
| Aspartic M+2 | 290390.73 | 314718.35 | 194795.92 | 137136.01 | 152413.46 | 196515.41 | 164908.14 | 107773.93 | 253366.19 | 177695.12 | 568951.18 | 203305.97 | 545477.44 | 608879.17 | 480339.05 | 183987.59 | 525287.42 | 445703.15 | |
| Aspartic M+3 | 81495.30 | 73980.24 | 54361.34 | 66957.94 | 41224.82 | 46846.81 | 45309.46 | 48397.15 | 59985.53 | 43838.81 | 154863.57 | 80963.46 | 130834.51 | 144680.06 | 129255.37 | 70933.99 | 127538.64 | 107053.81 | |
| Aspartic M+4 | 98455.20 | 18165.78 | 16116.73 | 201898.71 | 9605.73 | 11488.70 | 13180.56 | 173614.12 | 14930.15 | 10426.75 | 40387.80 | 220414.78 | 31296.76 | 35979.09 | 34042.75 | 204346.85 | 30012.32 | 26613.05 | |
| Aspartic M+5 | 29679.16 | 2990.93 | 3564.01 | 62642.91 | 1614.34 | 2083.01 | 2798.25 | 53858.59 | 2865.68 | 1678.16 | 9231.52 | 68622.74 | 5431.47 | 5985.92 | 7632.56 | 63370.75 | 5403.61 | 4603.59 | |
| b-alanine M+0 | 185606.41 | 215852.67 | 360843.38 | 426491.52 | 315418.90 | 390235.71 | 233702.54 | 206286.37 | 276704.66 | 258613.59 | 261971.28 | 206355.04 | 336495.73 | 286396.07 | 170529.61 | 123130.09 | 219891.22 | 176079.62 | |
| b-alanine M+1 | 41216.41 | 48694.50 | 82005.78 | 95840.02 | 72419.20 | 85870.60 | 53373.31 | 45524.64 | 63767.60 | 59528.82 | 59413.86 | 46766.02 | 77342.30 | 66509.83 | 38670.17 | 28253.55 | 51214.73 | 39844.00 | |
| b-alanine M+2 | 17212.60 | 20158.46 | 33159.55 | 39318.28 | 29940.72 | 35649.09 | 21643.92 | 18642.93 | 25667.94 | 23434.84 | 24795.58 | 18468.51 | 30821.63 | 26916.14 | 15986.31 | 11634.20 | 20678.08 | 16057.49 | |
| b-alanine M+3 | 2730.66 | 3305.38 | 5133.05 | 6178.34 | 4874.03 | 6399.69 | 3540.93 | 2898.58 | 4066.29 | 4437.48 | 3942.37 | 2979.55 | 4613.71 | 4252.40 | 2349.30 | 1986.21 | 3737.05 | 2272.00 | |
| b-alanine M+4 | 487.61 | 653.36 | 984.52 | 1026.91 | 776.94 | 933.35 | 639.46 | 564.28 | 680.27 | 704.22 | 727.71 | 530.39 | 818.68 | 736.97 | 389.75 | 288.17 | 724.12 | 430.88 | |
| Cis-aconitic (459,327) | 1231.30 | 1884.74 | 726.41 | 1446.08 | 2326.99 | 2592.27 | 1564.31 | 3860.79 | 5024.83 | 6435.24 | 1132.37 | 2256.34 | 3011.41 | 3548.77 | 1296.13 | 2251.04 | 3981.05 | 3131.84 | |
| Cis-aconitic M +1 | 1023.91 | 724.89 | 404.24 | 585.68 | 621.42 | 1109.60 | 576.56 | 1558.35 | 1942.83 | 2558.39 | 348.51 | 912.59 | 995.31 | 1441.79 | 633.83 | 839.05 | 1375.95 | 1154.46 | |
| Cis-aconitic M+2 | 390.47 | 359.92 | 1117.58 | 542.54 | 613.32 | 319.44 | 3429.63 | 1252.07 | 844.42 | 1175.64 | 1566.23 | 442.08 | 387.86 | 876.68 | 2107.26 | 581.86 | 639.71 | 748.50 | |
| Cis-aconitic M+3 | 232.62 | - | 553.77 | 312.12 | - | 147.45 | 1026.30 | 798.28 | 159.82 | 337.73 | 502.40 | 215.43 | 86.63 | 71.28 | 654.73 | 332.67 | - | 89.84 | |
| Cis-aconitic M+4 | 391.56 | - | 222.89 | 992.92 | - | - | 812.98 | 2202.88 | 48.80 | - | 211.62 | 909.48 | - | - | 408.66 | 1275.16 | 40.59 | - | |
| Cis-Aconitic M+5 | - | - | 42.21 | 264.73 | - | - | 156.15 | 482.01 | - | - | 69.17 | 165.00 | - | - | 156.97 | 355.26 | - | - | |
| Cis-aconitic M+6 | 87.89 | - | - | 437.49 | - | - | - | 1033.87 | - | - | - | 540.13 | - | - | - | 774.17 | - | - | |
| Citric (459,431) | 45406.66 | 82554.05 | 34935.31 | 102347.80 | 138387.00 | 183803.36 | 138926.58 | 569343.68 | 495825.86 | 774304.75 | 55697.04 | 174271.08 | 143098.89 | 247983.96 | 62631.50 | 168953.83 | 184226.53 | 271583.35 | |
| Citric m+1 (460,432) | 20438.41 | 30934.71 | 14448.25 | 45595.11 | 51738.62 | 70033.70 | 56207.58 | 228485.82 | 182682.48 | 287125.21 | 21571.04 | 67977.56 | 53691.10 | 92012.38 | 25087.83 | 66426.15 | 70588.83 | 104136.98 | |
| Citric m+2 (461,433) | 15621.13 | 15574.06 | 74823.19 | 47705.25 | 27119.71 | 33691.55 | 368410.35 | 186099.15 | 92415.15 | 138565.94 | 109269.33 | 44191.71 | 25983.17 | 44776.59 | 130134.10 | 46975.54 | 34974.02 | 50395.56 | |
| Citric m+3 (462,434) | 8417.12 | 3765.14 | 27279.37 | 32552.11 | 6641.50 | 8516.49 | 131736.16 | 108940.96 | 22840.55 | 34821.46 | 37795.85 | 28065.98 | 6957.59 | 11434.59 | 46159.80 | 30925.55 | 8705.33 | 12927.03 | |
| Citric m+4 (463,435) | 18570.69 | 918.50 | 19198.29 | 89862.45 | 2175.33 | 2085.51 | 90758.31 | 356812.54 | 6278.56 | 8988.77 | 23435.76 | 87962.47 | 1862.10 | 3117.93 | 29481.50 | 111353.34 | 2348.57 | 3765.60 | |
| Citric m+5 (464,436) | 8595.51 | 115.60 | 5829.98 | 44794.67 | 337.49 | 461.19 | 27471.78 | 165380.47 | 1378.58 | 1997.92 | 8811.40 | 52643.76 | 229.61 | 590.83 | 11238.70 | 60458.02 | 287.55 | 674.02 | |
| Citric m+6 (465, 437) | 3964.85 | - | 1986.75 | 21686.42 | - | - | 9867.26 | 78075.16 | 238.04 | 338.02 | 3192.94 | 22778.45 | - | 244.94 | 3839.50 | 27435.08 | 34.13 | 210.43 | |
| Creatinine (284,341) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Creatinine M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Creatinine M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Creatinine M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cysteine (406,378) | 38598.54 | 34371.71 | 25582.37 | 23876.63 | 23439.24 | 52069.14 | 29610.80 | 28241.69 | 43702.91 | 70850.21 | 34975.46 | 42184.27 | 32640.02 | 113042.03 | 11932.12 | 23386.33 | 174147.49 | 98374.60 | |
| Cysteine M+1 | 13741.39 | 11778.64 | 9215.45 | 8912.38 | 8042.57 | 18428.59 | 10824.12 | 10801.49 | 14656.09 | 25273.50 | 12443.55 | 15141.26 | 11187.50 | 40737.05 | 4334.72 | 8537.35 | 61369.23 | 34708.91 | |
| Cysteine M+2 | 7654.63 | 6762.45 | 5177.47 | 5389.99 | 4624.03 | 10885.49 | 5937.76 | 5767.59 | 9374.89 | 13439.09 | 7254.29 | 8614.56 | 6400.50 | 22405.09 | 2594.71 | 4790.95 | 36674.03 | 19755.72 | |
| Cysteine M+3 | 2073.78 | 1660.10 | 1375.92 | 1353.16 | 1127.09 | 2745.53 | 1642.95 | 1474.61 | 2198.93 | 3658.79 | 1718.10 | 2369.25 | 1712.23 | 5718.74 | 661.12 | 1194.89 | 8976.75 | 5780.81 | |
| Cysteine M+4 | 625.72 | 567.08 | 364.65 | 303.93 | 255.99 | 758.16 | 535.82 | 350.23 | 736.37 | 1092.15 | 569.78 | 586.58 | 546.77 | 1892.47 | 95.99 | 323.65 | 2357.81 | 1557.47 | |
| Cytosine M+0 1TBDMS | 342.36 | 226.94 | 1013.81 | 1059.67 | 991.74 | 894.52 | 652.16 | 1716.07 | 971.42 | 2036.18 | 838.59 | 1359.99 | 931.54 | 2449.76 | 1030.56 | 1033.33 | 669.68 | 1529.58 | |
| Cytosine M+0 2TBDMS | 4749.73 | 4127.12 | 3881.83 | 4697.69 | 3044.85 | 10744.27 | 3279.41 | 4050.97 | 12878.25 | 6098.26 | 6591.37 | 2951.51 | 3603.91 | 7032.78 | 3730.75 | 3210.15 | 2302.75 | 3659.51 | |
| Cytosine M+1 1TBDMS | - | - | 4568.11 | - | 5626.08 | - | 3246.86 | - | 1379.03 | - | 3884.96 | - | 4212.37 | - | 5003.71 | - | 419.03 | - | |
| Cytosine M+1 2TBDMS | 2690.78 | 2032.90 | 2248.44 | 3046.20 | 2230.97 | 4450.21 | 3042.16 | 1992.09 | 6812.56 | 2969.53 | 42505.86 | 9619.37 | 5452.22 | 6658.77 | 2230.25 | 1792.98 | 4204.83 | 2431.69 | |
| Cytosine M+2 1TBDMS | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cytosine M+2 2TBDMS | 1361.88 | 1647.14 | 3360.86 | 1523.51 | 2288.78 | 3359.07 | 5701.47 | 1353.39 | 5444.54 | 3136.34 | 12719.47 | 2598.49 | 4923.28 | 4751.50 | 3787.08 | 877.74 | 4959.54 | 3424.74 | |
| Cytosine M+3 1TBDMS | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cytosine M+3 2TBDMS | 532.93 | 1470.46 | - | - | - | - | - | 723.57 | - | - | - | 1266.75 | - | 1675.65 | - | - | - | - | |
| Cytosine M+4 1TBDMS | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Cytosine M+4 2TBDMS | 570.41 | 1153.20 | 2356.24 | 607.41 | 1726.64 | 1921.60 | 3962.26 | 632.50 | 2987.22 | 2077.24 | 3433.80 | 589.97 | 2213.28 | 2097.40 | 2473.54 | 517.30 | 3142.96 | 1635.80 | |
| DHAP 1/2 (484,452,383) | 40594.14 | 65019.20 | 2130.67 | 44198.98 | 39933.39 | 58610.53 | 2406.85 | 51601.04 | 81598.38 | 87805.09 | 2505.26 | 53155.44 | 36838.79 | 101247.61 | 1662.31 | 47967.25 | 122102.27 | 109765.54 | |
| DHAP 1/2 M+1 | 14387.22 | 22111.66 | 752.62 | 16332.41 | 14048.10 | 21594.16 | 845.54 | 18520.73 | 29834.17 | 31229.50 | 1365.24 | 19241.53 | 13020.19 | 36387.36 | 570.77 | 17444.15 | 43051.44 | 39101.01 | |
| DHAP 1/2 M+2 | 6685.30 | 10502.58 | 728.49 | 7634.92 | 6158.24 | 10355.24 | 744.76 | 8859.97 | 13855.61 | 14961.24 | 873.88 | 8678.39 | 6433.01 | 18045.60 | 642.77 | 8059.42 | 19839.96 | 17624.76 | |
| DHAP 1/2 M+3 | 1543.14 | 2303.62 | 35175.85 | 1846.85 | 2274.52 | 2153.55 | 36328.94 | 2209.46 | 3304.35 | 3458.30 | 43030.62 | 2128.88 | 1725.32 | 4756.89 | 33481.06 | 1909.83 | 4915.69 | 4513.15 | |
| DHAP 2/2 (484,452,383) | 28020.34 | 46305.17 | 1353.22 | 30362.31 | 25032.90 | 38899.05 | 1562.51 | 36813.60 | 57631.78 | 64299.47 | 1496.61 | 38233.81 | 27386.83 | 72081.95 | 1075.94 | 34275.25 | 84194.29 | 81839.78 | |
| DHAP 2/2 M+1 | 10297.53 | 15523.45 | 665.96 | 10709.97 | 9300.10 | 13789.95 | 493.97 | 12931.69 | 20033.27 | 23952.15 | 858.43 | 13553.05 | 9250.02 | 26639.51 | 420.93 | 12311.81 | 29921.11 | 28667.80 | |
| DHAP 2/2 M+2 | 4947.79 | 7899.84 | 655.42 | 5121.68 | 4029.08 | 6931.69 | 554.33 | 6161.15 | 10036.56 | 11294.23 | 754.68 | 6273.91 | 4061.77 | 12732.68 | 567.52 | 6154.28 | 14015.36 | 14375.19 | |
| DHAP 2/2 M+3 | 1260.42 | 1959.51 | 23555.96 | 1303.80 | 1747.90 | 1729.66 | 24219.12 | 1488.95 | 2641.93 | 2625.18 | 29309.51 | 1583.54 | 1179.69 | 2826.67 | 23228.74 | 1455.02 | 3579.15 | 3349.28 | |
| Ethanolamine (232,144) | 5611.09 | 6742.54 | 1523.45 | 2206.71 | 866.84 | 2686.19 | 992.53 | 915.05 | 1122.17 | 1252.56 | 2966.08 | 2287.91 | 1820.99 | 2393.06 | 2621.59 | 2750.60 | 2361.86 | 2095.71 | |
| EThanolamine M+1 | 1151.13 | 1459.32 | 76.32 | 516.14 | 39.20 | 720.31 | 81.13 | 199.34 | 192.23 | 372.95 | 274.39 | 613.97 | 94.80 | 487.64 | 198.79 | 630.48 | 142.39 | 357.63 | |
| Ethanolamine M+2 | 455.92 | 621.74 | 323.32 | 154.53 | 259.35 | 184.32 | 201.44 | 62.92 | 244.51 | 40.75 | 666.30 | 194.29 | 398.71 | 297.34 | 508.94 | 195.18 | 529.14 | 222.76 | |
| Fumaric (287,329) | 28296.98 | 35544.88 | 121630.09 | 67748.33 | 125629.41 | 121775.82 | 183555.36 | 107856.12 | 259842.61 | 165690.25 | 128789.71 | 85520.89 | 174307.85 | 130796.44 | 118087.05 | 77916.32 | 199785.21 | 123399.19 | |
| Fumaric M+1 | 6939.60 | 8058.56 | 29567.30 | 19761.20 | 31655.24 | 29857.90 | 44515.25 | 28650.49 | 61159.02 | 41044.85 | 30442.23 | 21154.71 | 41267.97 | 30984.51 | 28431.82 | 19824.76 | 47550.64 | 32459.77 | |
| Fumaric M+2 | 4132.41 | 3619.64 | 21027.04 | 21645.80 | 13916.80 | 12254.52 | 31203.13 | 22809.38 | 26342.83 | 17188.20 | 16176.96 | 12628.74 | 17635.77 | 13862.51 | 15642.12 | 12189.10 | 20211.34 | 12509.73 | |
| Fumaric M+3 | 837.58 | 416.12 | 5039.11 | 11602.41 | 2271.18 | 2381.34 | 7037.82 | 11742.82 | 4122.57 | 2891.27 | 4780.00 | 8196.24 | 2976.57 | 2471.84 | 4512.70 | 8175.06 | 3318.39 | 1823.67 | |
| Fumaric M+4 | 3042.42 | 54.11 | 1836.93 | 53044.71 | 352.66 | - | 2380.77 | 64073.55 | 927.57 | 499.12 | 1097.50 | 37366.75 | 388.73 | 286.82 | 888.42 | 43282.12 | 284.75 | 524.05 | |
| GABA M+0 | 76192.13 | 78556.77 | 101369.79 | 109934.76 | 88018.88 | 106866.80 | 89945.28 | 77165.35 | 103459.89 | 87343.31 | 54841.80 | 41956.13 | 60802.12 | 56819.88 | 49602.81 | 35128.21 | 62076.63 | 44405.25 | |
| GABA M+1 | 18081.62 | 19628.26 | 23951.97 | 25228.24 | 20511.16 | 24593.25 | 21215.20 | 17969.56 | 25223.39 | 20319.76 | 12971.81 | 9874.69 | 14097.35 | 13551.55 | 11943.74 | 8477.91 | 14869.08 | 10113.51 | |
| GABA M+2 | 7651.74 | 7909.41 | 9652.54 | 9857.58 | 8445.62 | 10885.51 | 8434.68 | 7677.55 | 9288.56 | 8779.85 | 5643.38 | 4120.78 | 5669.02 | 5006.45 | 4734.12 | 3331.01 | 6170.20 | 4509.43 | |
| GABA M+3 | 1183.60 | 1219.22 | 1486.58 | 1727.21 | 1464.00 | 1400.97 | 1357.00 | 1083.53 | 1859.55 | 1176.46 | 821.90 | 605.75 | 833.12 | 892.93 | 716.26 | 481.98 | 943.27 | 681.56 | |
| GABA M+4 | 167.42 | 99.60 | 234.97 | 256.47 | 144.85 | 182.03 | 183.24 | 172.64 | 229.27 | 134.16 | 189.74 | 55.11 | 57.61 | 102.53 | 52.88 | 87.37 | 45.62 | - | |
| Glucose 2 M | 3308.19 | 1620.41 | 110.54 | 2061.99 | 644.97 | 1598.28 | 376.96 | 1535.87 | 2338.80 | 8011.91 | 285.43 | 1766.48 | 3828.18 | 3771.58 | 458.49 | 1483.42 | 47014.36 | 7355.31 | |
| Glucose 2 M+1 | 1783.86 | 1013.78 | 105.51 | 1062.61 | 400.22 | 909.18 | 436.78 | 848.25 | 1326.74 | 4481.93 | 122.47 | 868.23 | 2460.62 | 1551.50 | 531.88 | 551.05 | 21882.10 | 4054.99 | |
| Glucose 2 M+2 | 815.34 | 475.62 | - | 453.31 | 137.52 | 543.49 | 410.42 | 329.28 | 511.25 | 2030.55 | 107.06 | 485.85 | 933.89 | 790.77 | 235.00 | 198.93 | 13450.14 | 2083.93 | |
| Glucose 2 M+3 | 203.22 | - | - | 199.71 | - | - | - | 119.53 | 231.16 | 674.43 | - | 130.15 | 110.34 | 277.80 | 108.77 | 228.75 | 4534.39 | 469.66 | |
| Glucose 2 M+4 | - | - | - | - | - | - | - | - | - | - | - | - | 88.86 | - | - | - | 1066.69 | - | |
| Glucose 2 M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 358.24 | - | 252.07 | - | |
| Glucose 2 M+6 | - | - | 1120.80 | - | - | - | 1979.77 | - | - | - | 2084.63 | - | - | - | 2388.19 | - | - | - | |
| Glucose 3 M+0 | 14506.47 | 13180.56 | 228.15 | 2486.67 | 1075.70 | 1359.28 | 498.55 | 2542.73 | 2415.95 | 14652.43 | 494.04 | 3295.84 | 8061.73 | 6809.74 | 1604.71 | 5366.34 | 47014.36 | 13535.44 | |
| Glucose 3 M+1 | 7209.96 | 6796.05 | 105.51 | 1390.91 | 521.72 | 682.28 | 775.73 | 1429.20 | 1496.09 | 7273.77 | 305.53 | 1722.94 | 3643.03 | 3224.69 | 978.73 | 2513.11 | 21547.73 | 6622.82 | |
| Glucose 3 M+2 | 3798.47 | 2975.13 | - | 586.81 | 137.52 | 418.74 | 221.73 | 669.17 | 791.74 | 4220.69 | 97.80 | 835.07 | 1994.70 | 1944.83 | 235.00 | 1447.05 | 13111.08 | 3966.05 | |
| Glucose 3 M+3 | 1137.27 | 1258.70 | - | 247.75 | - | - | - | 119.53 | 231.16 | 1163.71 | - | 217.64 | 515.96 | 530.73 | 108.77 | 394.17 | 2531.14 | 1349.50 | |
| Glucose 3 M+4 | 508.71 | 269.94 | - | - | - | - | - | - | - | 331.24 | - | - | 88.86 | 41.34 | - | - | 864.49 | 215.94 | |
| Glucose 3 M+5 | 168.24 | - | - | - | - | - | - | - | - | - | - | - | - | - | 358.24 | - | 252.07 | - | |
| Glucose 3 M+6 | - | - | 1498.00 | - | - | - | 1690.76 | - | - | - | 2338.85 | - | - | - | 7245.93 | - | - | - | |
| Glutamic (432,330) | - | - | 7509877.21 | - | 10018299.54 | - | 9604351.94 | - | 12849944.91 | - | 10441956.67 | - | 10848805.03 | - | 9216235.71 | - | 11616839.85 | - | |
| Glutamic m+1 | - | - | 2840642.95 | - | 3766502.93 | - | 3633437.51 | - | 4840744.64 | - | 3929017.36 | - | 4063846.13 | - | 3461246.22 | - | 4380117.09 | - | |
| Glutamic m+2 | - | - | 2423147.52 | - | 1773687.27 | - | 3038179.82 | - | 2259521.49 | - | 2647093.30 | - | 1896593.15 | - | 2492268.15 | - | 2028694.15 | - | |
| Glutamic m+3 | - | - | 741514.00 | - | 435799.61 | - | 912580.60 | - | 550637.11 | - | 746906.94 | - | 471088.37 | - | 717127.18 | - | 492001.16 | - | |
| Glutamic m+4 | - | - | 303545.78 | - | 108157.24 | - | 367146.93 | - | 131498.28 | - | 264622.53 | - | 111208.88 | - | 272108.86 | - | 118809.59 | - | |
| Glutamic m+5 | - | - | 74528.37 | - | 18297.01 | - | 88796.78 | - | 22674.59 | - | 61689.38 | - | 20174.94 | - | 66627.32 | - | 21557.61 | - | |
| Glutamic M+6 | - | - | 19963.62 | - | 3131.16 | - | 23314.79 | - | 3488.78 | - | 15211.41 | - | 1942.39 | - | 17127.76 | - | 3354.41 | - | |
| Glutamine (431,329) | 11454.84 | 28618.42 | 1637199.81 | 115961.25 | 2177605.33 | 2909777.43 | 2865891.45 | 182438.22 | 6620458.08 | 5505516.38 | 1948444.12 | 58961.38 | 3049745.83 | 3112298.41 | 1119743.77 | 34197.74 | 2731678.89 | 1515037.94 | |
| Glutamine M+1 | 4988.55 | 11211.03 | 615704.94 | 43788.80 | 821858.44 | 1089743.96 | 1077019.84 | 69473.30 | 2490278.40 | 2129841.94 | 724851.12 | 23074.11 | 1145770.11 | 1163337.06 | 418580.84 | 13668.04 | 1021097.96 | 562941.15 | |
| Glutamine M+2 | 2230.94 | 5191.65 | 281883.81 | 21494.02 | 374428.18 | 498517.24 | 494738.66 | 34247.13 | 1143092.27 | 979724.56 | 330133.03 | 11395.31 | 531620.70 | 536936.69 | 189275.90 | 6600.98 | 463423.16 | 257053.23 | |
| Glutamine M+3 | 582.80 | 1154.85 | 68683.83 | 26787.96 | 90100.10 | 120660.29 | 120234.70 | 33801.19 | 273210.71 | 238386.37 | 80247.39 | 12636.21 | 128908.57 | 129643.30 | 45304.39 | 8611.11 | 111084.88 | 63535.56 | |
| Glutamine M+4 | 2478.91 | 422.78 | 16437.97 | 282939.27 | 21423.14 | 27787.04 | 30708.94 | 334533.74 | 63109.57 | 56442.36 | 19130.94 | 158788.25 | 30056.79 | 29148.66 | 10941.16 | 104051.46 | 26867.43 | 14420.83 | |
| Glutamine M+5 | 55559.13 | 1680.21 | 2945.57 | 6148928.63 | 3643.07 | 12910.60 | 33575.01 | 7240165.39 | 11126.46 | 13024.69 | 3670.30 | 3478810.29 | 5136.74 | 9675.66 | 2175.95 | 2354138.70 | 5040.06 | 5389.61 | |
| Glutamine M+6 | 17683.91 | 573.30 | 655.71 | 2026524.58 | 493.08 | 3379.24 | 10021.89 | 2354612.85 | 2018.89 | 2989.67 | 696.37 | 1131495.83 | 1164.76 | 2602.66 | 522.17 | 745254.62 | 1139.25 | 1549.70 | |
| Glutamine M+7 | 8821.87 | 176.53 | 221.67 | 977109.39 | - | 1684.49 | 4221.35 | 1128239.18 | 292.17 | 757.13 | 123.63 | 538986.24 | 93.82 | 1267.40 | 129.63 | 358236.08 | 209.30 | 570.82 | |
| Glyceraldehyde-3P (484,457,425) | 4358.45 | 4207.27 | 126.01 | 7947.23 | 4350.90 | 5982.97 | 191.73 | 4868.75 | 7452.75 | 6050.34 | 1143.97 | 9864.53 | 8163.66 | 7762.89 | 229.63 | 6292.97 | 10669.79 | 6884.09 | |
| Glyceraldehyde-3P M+1 | 1616.19 | 1251.31 | 337.08 | 2895.62 | 1254.16 | 2213.98 | 317.39 | 1806.26 | 2519.15 | 2630.64 | 1621.68 | 3600.70 | 2545.39 | 2486.82 | 482.26 | 2161.76 | 3506.12 | 2356.04 | |
| Glyceraldehyde-3P M+2 | 713.68 | 695.33 | 144.31 | 1450.23 | 382.99 | 810.32 | 153.70 | 829.47 | 1159.29 | 1049.23 | 871.77 | 1613.58 | 1438.39 | 1415.25 | 226.17 | 988.88 | 1818.69 | 1060.73 | |
| Glyceraldehyde-3P M+3 | 136.92 | 80.67 | 3790.60 | 309.34 | 134.49 | 105.79 | 4376.53 | 143.09 | 168.66 | 76.82 | 20801.54 | 392.01 | 266.40 | 348.68 | 5848.42 | 205.65 | 363.20 | 135.13 | |
| Glycerol M+0 | 1476.92 | 3174.71 | 363.99 | 315.76 | - | 187.86 | 1290.25 | 1462.03 | 915.16 | 3817.43 | 841.09 | 787.31 | 2204.13 | 1313.74 | 1305.96 | 1490.90 | 1568.78 | 1792.88 | |
| Glycerol M+1 | 503.61 | 995.90 | 179.60 | 107.31 | - | - | 450.08 | 427.21 | 439.69 | 1135.89 | 196.66 | 224.74 | 780.75 | 482.06 | 441.00 | 375.24 | 466.70 | 525.89 | |
| Glycerol M+2 | 185.41 | 456.88 | - | - | - | - | 122.26 | 202.71 | 73.24 | 403.46 | 128.02 | 83.59 | 249.82 | 157.66 | 220.62 | 167.23 | 224.69 | 126.36 | |
| Glycerol M+3 | - | - | - | - | - | - | 814.90 | - | - | 109.04 | 172.03 | - | - | - | 315.25 | - | - | - | |
| Glycine (246,218) | 1605550.95 | 1989364.25 | 2232016.85 | 3110798.32 | 1982268.06 | 3218293.13 | 2525678.85 | 2652005.42 | 3657657.44 | 2969129.86 | 2456292.23 | 2026721.33 | 2238760.57 | 2489173.52 | 1885702.62 | 1621980.11 | 2086274.59 | 1868724.90 | |
| Glycine m+1 | 349395.86 | 432915.25 | 484889.36 | 680711.24 | 428051.05 | 709821.61 | 550259.05 | 579625.41 | 800439.46 | 643654.62 | 536406.35 | 441013.10 | 488561.26 | 541636.84 | 410029.39 | 348654.92 | 450569.30 | 407105.66 | |
| Glycine m+2 | 146741.70 | 182961.74 | 227026.45 | 283024.18 | 177186.41 | 302973.25 | 244595.98 | 241311.27 | 334498.97 | 269716.09 | 248116.71 | 182925.07 | 201721.89 | 226477.62 | 188550.94 | 145912.43 | 189665.61 | 168166.36 | |
| Glycolic Acid (247,189) ? | 4931.87 | 2442.56 | 2344.99 | 7856.14 | 2055.36 | 2239.44 | 3247.78 | 8136.47 | 4171.33 | 3560.21 | 3051.25 | 9018.66 | 3670.96 | 3234.14 | 2787.34 | 8148.79 | 4456.22 | 3469.69 | |
| Glycolic M+1 | 952.49 | 522.04 | 459.04 | 1782.78 | 461.22 | 636.96 | 739.63 | 1893.72 | 815.36 | 679.04 | 610.73 | 1919.59 | 641.92 | 439.90 | 545.50 | 1750.55 | 1010.60 | 583.99 | |
| Glycolic M+2 | 351.03 | 199.01 | 551.67 | 632.28 | 139.69 | 166.38 | 794.73 | 715.55 | 326.27 | 254.98 | 778.09 | 772.25 | 221.46 | 245.89 | 674.08 | 868.21 | 461.86 | 240.02 | |
| Histidine (440,338) | 5806.33 | 4881.95 | 4603.41 | 6016.20 | 5113.52 | 8201.68 | 7218.21 | 5536.68 | 14908.78 | 11372.33 | 10768.39 | 6516.32 | 9534.36 | 12177.90 | 8080.11 | 5994.27 | 13961.92 | 10879.27 | |
| Histidine M+1 | 2222.25 | 1850.36 | 1629.02 | 2351.37 | 1368.89 | 3212.87 | 2808.71 | 2200.75 | 5905.17 | 4942.58 | 4266.89 | 2392.33 | 4190.71 | 5701.04 | 2861.24 | 2344.62 | 6766.70 | 4441.25 | |
| Histidine M+2 | 1012.12 | 375.90 | 675.81 | 884.58 | 856.64 | 992.72 | 1085.98 | 930.61 | 2680.56 | 2148.45 | 1854.05 | 1083.86 | 1598.18 | 2292.76 | 1264.70 | 1036.19 | 2735.79 | 1988.24 | |
| Histidine M+3 | 308.35 | - | 502.40 | 326.15 | 146.91 | - | 1476.69 | 429.73 | 124.90 | 970.74 | 618.99 | 364.15 | 284.72 | 715.29 | 489.61 | 252.48 | 406.40 | 1314.52 | |
| Histidine M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Histidine M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Histidine M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Histidine M+7 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Histidine M+8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine (420,392) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+2 | 126.38 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Homocysteine M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Hydroxyproline (416,388) | 5620.07 | 10590.88 | 4239.04 | 6249.61 | 3215.99 | 3459.42 | 7940.73 | 8297.71 | 13982.82 | 23010.15 | 14060.45 | 10046.50 | 23852.40 | 12486.31 | 10472.63 | 12376.13 | 18253.58 | 9038.61 | |
| Hydroxyproline M+1 | 1961.28 | 3885.62 | 1468.57 | 2232.24 | 1027.79 | 1498.49 | 3107.50 | 3110.51 | 5746.76 | 8181.18 | 5205.38 | 3599.54 | 8828.90 | 4298.54 | 3782.73 | 4749.14 | 7057.95 | 3145.36 | |
| Hydroxyproline M+2 | 902.08 | 2024.84 | 773.36 | 1029.85 | 573.48 | 664.52 | 1413.03 | 1429.18 | 1941.24 | 3707.27 | 2295.55 | 1500.05 | 4102.59 | 2364.45 | 1669.46 | 2041.96 | 3196.25 | 1268.10 | |
| Hydroxyproline M+3 | 169.68 | 319.64 | 177.14 | 133.54 | 45.97 | - | 301.78 | 276.67 | 427.98 | 850.50 | 681.22 | 264.13 | 1158.15 | 540.67 | 450.82 | 580.53 | 529.86 | 273.47 | |
| Hydroxyproline M+4 | - | - | - | - | - | - | 110.41 | - | 99.93 | - | 199.34 | - | - | - | 127.15 | - | - | - | |
| Hydroxyproline M+5 | - | - | 739.54 | - | - | - | 559.96 | - | - | - | 1723.52 | - | - | - | 1663.83 | - | - | - | |
| Hydroxyproline M+6 | - | - | 153.94 | - | - | - | 153.28 | - | - | - | 575.25 | - | - | - | 464.25 | - | - | - | |
| Hypotaruine (280,158) | 17763.94 | 19912.58 | 13718.40 | 16292.26 | 10332.88 | 15062.81 | 22916.02 | 19983.65 | 36877.68 | 26190.61 | 75503.94 | 54219.59 | 69504.66 | 61347.50 | 45933.27 | 38832.64 | 53176.02 | 35967.47 | |
| Hypotaurine M+1 | 4762.75 | 5184.20 | 3544.80 | 4304.75 | 3579.69 | 4475.69 | 6028.18 | 5485.08 | 8891.20 | 7065.08 | 17411.59 | 13000.11 | 18112.07 | 15576.16 | 10845.07 | 9574.68 | 11933.91 | 9090.39 | |
| Hypotaurine M+2 | 2713.80 | 3034.18 | 2474.91 | 2601.53 | 1866.73 | 2251.33 | 3483.23 | 3275.86 | 5514.90 | 3677.26 | 11094.82 | 8553.53 | 10667.38 | 11642.67 | 6853.06 | 5786.55 | 8423.99 | 5048.21 | |
| Hypoxanthine M+0 | 1148.74 | 965.90 | 1756.73 | 1719.40 | 2141.32 | 1399.52 | 2775.07 | 2386.24 | 3143.04 | 1937.94 | 1584.56 | 1439.45 | 2568.97 | 1421.75 | 2560.54 | 1342.29 | 3171.83 | 1549.24 | |
| Hypoxanthine M+1 | 315.50 | 179.84 | 545.20 | 513.52 | 691.49 | 636.37 | 801.16 | 801.18 | 646.77 | 369.81 | 352.11 | 449.71 | 650.30 | 219.16 | 819.49 | 565.96 | 919.60 | 450.47 | |
| Hypoxanthine M+2 | 125.56 | - | 187.02 | 192.35 | 290.30 | 139.64 | 292.03 | 169.78 | 340.01 | 218.25 | 235.59 | 132.36 | 105.51 | 97.72 | 238.24 | 116.15 | 283.62 | 88.35 | |
| Hypoxanthine M+3 | - | - | - | - | - | - | - | - | - | - | 74.27 | - | - | - | - | 71.61 | - | - | |
| Hypoxanthine M+4 | 100.41 | - | - | - | - | 85.99 | - | 129.87 | - | - | - | - | - | - | - | - | - | - | |
| Hypoxanthine M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Isocitric (459,431) | 985.26 | 1240.44 | 617.31 | 735.67 | 1843.04 | 1882.26 | 1588.44 | 3311.97 | 5353.90 | 5373.94 | 1059.35 | 1834.98 | 2603.14 | 3404.12 | 973.49 | 2168.39 | 3851.12 | 3509.25 | |
| Isocitric m+1 (460,432) | 337.48 | 360.47 | 3838.08 | 336.09 | 622.26 | 509.12 | 550.89 | 1457.91 | 2249.15 | 2052.91 | 230.76 | 721.90 | 948.22 | 1298.05 | 399.99 | 892.75 | 1423.87 | 1475.83 | |
| Isocitric m+2 (461,433) | 101.96 | 47.60 | 738.10 | 351.63 | 143.28 | 189.21 | 3809.10 | 1107.80 | 1110.83 | 1057.55 | 1720.34 | 338.27 | 547.42 | 325.63 | 2019.14 | 542.73 | 576.48 | 730.31 | |
| Isocitric m+3 (462,434) | 198.36 | - | 244.05 | 246.19 | 50.78 | - | 1351.75 | 918.88 | 132.53 | 95.46 | 525.44 | 389.26 | - | 73.94 | 789.01 | 525.84 | 94.80 | 170.64 | |
| Isocitric m+4 (463,435) | 207.35 | - | - | 590.48 | - | - | - | 1707.86 | - | - | - | 750.76 | - | - | - | 1239.31 | - | - | |
| Isocitric m+5 (464,436) | 227.34 | - | - | 344.33 | - | - | - | 1071.62 | - | - | - | 639.27 | - | - | - | 860.95 | - | - | |
| Isocitric m+6 (465, 437) | 228.85 | - | - | 149.47 | - | - | - | 456.61 | - | - | - | 388.20 | - | 113.99 | - | 678.98 | - | 440.37 | |
| Isoleucine (302,274) | 181628.39 | 199822.55 | 527674.34 | 596772.84 | 522828.25 | 652627.78 | 1646142.41 | 1142659.76 | 1599737.33 | 1752053.63 | 1363102.78 | 862042.27 | 1660360.57 | 1580301.03 | 1182555.55 | 649913.71 | 2077302.58 | 1313798.75 | |
| Isoleucine M+1 | 46849.59 | 53355.46 | 139609.39 | 155145.21 | 136115.72 | 169350.59 | 434660.06 | 295817.36 | 425624.00 | 461361.16 | 359020.51 | 224323.58 | 439197.81 | 417588.82 | 309934.71 | 170897.38 | 547032.72 | 345080.43 | |
| Isoleucine M+2 | 18907.23 | 21166.43 | 52746.40 | 59821.39 | 52739.92 | 65532.81 | 168064.67 | 114202.36 | 163135.79 | 177529.89 | 138172.63 | 86795.76 | 169261.28 | 162301.11 | 119358.05 | 66312.63 | 211488.47 | 132513.49 | |
| Isoleucine M+3 | 3535.26 | 3484.58 | 9309.70 | 10165.03 | 8858.95 | 11515.40 | 28639.13 | 19717.60 | 28057.36 | 30063.89 | 23991.32 | 15248.71 | 28524.68 | 26597.35 | 20699.62 | 11541.58 | 35275.42 | 22494.86 | |
| Isoleucine M+4 | 636.22 | 774.60 | 1559.42 | 1841.01 | 1518.51 | 2086.43 | 4840.03 | 3366.17 | 4532.14 | 5118.60 | 4278.76 | 2607.91 | 4797.28 | 4996.27 | 3543.72 | 2036.84 | 6738.96 | 3813.39 | |
| Isoleucine M+5 | - | - | 297.52 | 150.03 | 106.11 | - | 558.48 | 334.46 | 548.31 | 591.42 | 451.21 | 213.82 | 440.02 | 450.74 | 392.90 | 129.47 | 773.77 | 403.55 | |
| Isoleucine M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Isoleucine M+7 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lactic (261,233) | 4445638.64 | 4688267.91 | 352076.53 | 5185337.01 | 4819131.15 | 5254846.39 | 531775.20 | 7712508.09 | 6938269.52 | 6021657.20 | 301260.01 | 4253245.32 | 5672949.97 | 4406365.93 | 343976.18 | 5412469.00 | 6725109.41 | 4557007.55 | |
| Lactic M+1 | 1015711.78 | 1078546.58 | 96170.66 | 1191542.09 | 1085347.61 | 1203442.66 | 137862.89 | 1772399.15 | 1567197.31 | 1385402.77 | 81504.15 | 977131.25 | 1300815.35 | 1000530.49 | 96442.79 | 1238509.34 | 1504948.82 | 1035789.83 | |
| Lactic M+2 | 428164.00 | 456806.40 | 87284.41 | 508022.74 | 455082.91 | 510463.54 | 125905.06 | 754258.88 | 662460.65 | 592489.23 | 77558.74 | 413620.33 | 548287.07 | 428166.93 | 95491.50 | 523658.95 | 635993.88 | 440942.36 | |
| Lactic M+3 | 65397.68 | 68060.01 | 4271391.75 | 106377.07 | 176822.94 | 76354.47 | 6559871.75 | 150485.72 | 98914.85 | 88231.18 | 4244055.98 | 73675.11 | 82781.58 | 63528.52 | 5115616.36 | 98727.75 | 97220.81 | 65975.47 | |
| Leucine (302,274) | 139354.60 | 142296.63 | 400790.42 | 469303.44 | 376819.83 | 461855.40 | 1227917.57 | 886163.80 | 1170454.79 | 1284638.87 | 1077595.19 | 669412.98 | 1128247.84 | 1040767.78 | 881949.28 | 474020.81 | 1384524.63 | 857088.64 | |
| Leucine M+1 | 36681.36 | 36324.63 | 105933.60 | 123320.38 | 99119.73 | 120243.40 | 326269.67 | 232648.21 | 305373.26 | 337606.62 | 286077.94 | 175075.19 | 294525.55 | 270935.37 | 234459.43 | 122977.02 | 365260.26 | 227388.40 | |
| Leucine M+2 | 14148.38 | 14311.08 | 40439.82 | 47026.93 | 38394.50 | 47820.85 | 125000.96 | 90406.33 | 117382.07 | 131601.83 | 109194.14 | 67254.60 | 112870.93 | 106128.95 | 89766.38 | 48529.34 | 137861.46 | 85856.79 | |
| Leucine M+3 | 2630.80 | 3064.33 | 7504.21 | 9115.99 | 6778.21 | 8471.78 | 22470.91 | 15931.90 | 20637.58 | 24082.74 | 19963.17 | 12031.04 | 19960.46 | 18982.83 | 16143.92 | 8937.94 | 24973.07 | 15949.14 | |
| Leucine M+4 | 511.60 | 452.89 | 1228.87 | 1571.64 | 1411.53 | 1378.91 | 3882.32 | 2834.55 | 3937.22 | 4062.19 | 3631.64 | 2384.08 | 3543.20 | 3022.16 | 2894.48 | 1585.90 | 4591.60 | 2579.00 | |
| Leucine M+5 | - | - | 229.77 | 277.95 | 108.12 | 310.01 | 546.53 | 371.35 | 372.53 | 591.87 | 416.85 | 246.65 | 426.95 | 583.76 | 400.79 | 171.64 | 724.00 | 470.64 | |
| Leucine M+6 | - | - | - | - | - | - | - | 88.59 | - | - | 261.25 | - | - | - | - | - | - | - | |
| Leucine M+7 | - | - | - | - | - | - | - | 89.90 | - | - | 199.21 | - | - | - | - | - | - | - | |
| Lysine (431,488) | 1265.26 | 1188.67 | 878.09 | 892.49 | 750.01 | 1236.64 | 1304.78 | 420.53 | 1961.50 | 1154.04 | 2026.26 | 977.71 | 1473.11 | 1350.44 | 1455.36 | 770.94 | 2885.81 | 1248.74 | |
| Lysine M+1 | 434.63 | 348.75 | 397.87 | 216.68 | 246.54 | 257.62 | 672.33 | 115.82 | 677.41 | 612.64 | 841.86 | 334.74 | 411.39 | 561.04 | 494.19 | 214.04 | 1080.62 | 387.28 | |
| Lysine M+2 | 128.77 | 138.73 | 91.25 | - | 48.57 | - | 263.02 | - | 287.24 | 140.38 | 572.11 | 164.92 | 68.73 | - | 128.39 | 83.33 | 307.34 | 110.76 | |
| Lysine M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+7 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Lysine M+8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Malic (419,287) | 9369.96 | 14596.50 | 132262.34 | 89970.11 | 154909.47 | 148716.96 | 305310.15 | 219797.03 | 433173.19 | 344160.55 | 151392.37 | 143680.52 | 240791.19 | 228231.07 | 127392.29 | 117789.47 | 217097.08 | 225544.77 | |
| Malic M+1 | 3743.60 | 5249.55 | 47546.62 | 37152.22 | 52258.90 | 53148.44 | 108609.23 | 82779.70 | 156276.21 | 118439.78 | 53344.18 | 51486.23 | 82113.35 | 79634.32 | 44516.62 | 41779.24 | 75375.67 | 80205.44 | |
| Malic m+2 | 3233.50 | 2483.55 | 34496.98 | 43893.23 | 26907.68 | 26084.80 | 77668.46 | 69199.39 | 72601.19 | 55247.46 | 30527.01 | 32830.33 | 40154.78 | 36966.20 | 28218.02 | 29887.75 | 36382.81 | 37637.53 | |
| Malic m+3 | 1348.39 | 525.56 | 10652.38 | 26999.30 | 6220.11 | 5381.69 | 23074.59 | 39317.94 | 18337.90 | 13128.68 | 10514.63 | 24678.16 | 9710.64 | 9137.55 | 9871.09 | 21397.42 | 8581.37 | 8540.30 | |
| Malic m+4 | 4461.06 | - | 3659.44 | 107373.26 | 1397.68 | 1363.89 | 7752.10 | 173593.20 | 4182.56 | 3186.15 | 3234.39 | 93498.65 | 2258.57 | 1858.60 | 3257.76 | 103727.48 | 2096.36 | 2122.99 | |
| Methionine (320,292) | 6911.97 | 15930.11 | 55312.41 | 17789.88 | 48152.05 | 52443.13 | 130895.12 | 25808.81 | 139200.23 | 114168.45 | 113614.28 | 21513.11 | 118907.21 | 92202.81 | 96765.86 | 17082.14 | 141167.86 | 77888.56 | |
| Methionine M+1 | 1803.85 | 3865.61 | 14389.98 | 4651.72 | 12382.31 | 14102.09 | 33918.96 | 6893.73 | 34877.01 | 29916.58 | 28778.76 | 5581.04 | 30994.81 | 23955.73 | 24826.58 | 4606.92 | 36558.97 | 19265.40 | |
| Methionine M+2 | 933.68 | 2282.64 | 8030.80 | 2694.74 | 7728.31 | 7647.66 | 18987.06 | 3792.09 | 20227.32 | 16376.67 | 15728.79 | 3415.54 | 17704.14 | 13571.49 | 14040.85 | 2688.58 | 20611.58 | 11150.91 | |
| Methionine M+3 | 153.19 | 558.58 | 1525.30 | 451.84 | 1459.57 | 1915.79 | 3752.87 | 788.93 | 4162.24 | 3460.71 | 3051.64 | 580.56 | 3451.26 | 2707.33 | 2761.61 | 357.85 | 4327.25 | 2144.46 | |
| Methionine M+4 | - | - | 275.15 | - | 299.94 | - | 957.23 | 104.37 | 926.45 | 875.73 | 902.35 | 138.07 | 737.26 | 735.61 | 744.54 | 90.68 | 1011.53 | 520.81 | |
| Methionine M+5 | - | - | - | 78.12 | - | - | - | 265.35 | - | 159.91 | - | - | - | 204.02 | - | - | - | - | |
| Methionine M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristic-D27 ISTD | 982314.13 | 1108222.99 | 879035.14 | 835493.03 | 838086.69 | 911515.72 | 763633.24 | 730978.21 | 1063803.29 | 867496.14 | 1027944.89 | 785795.60 | 887243.63 | 982473.69 | 1006928.11 | 991210.14 | 1127749.88 | 962712.48 | |
| Myristic M+0 (285,129,327) | 22094.45 | 24175.88 | 12063.33 | 10626.69 | 18408.38 | 10225.40 | 12131.62 | 12778.55 | 17743.73 | 13498.25 | 10674.73 | 8917.93 | 11025.11 | 12570.31 | 15173.31 | 12606.83 | 12942.56 | 10352.86 | |
| Myristic M+1 | 5428.28 | 6026.61 | 3473.98 | 2993.45 | 5312.46 | 3340.81 | 3421.09 | 3434.09 | 5727.82 | 3951.79 | 2792.77 | 2350.86 | 2962.65 | 3885.01 | 3741.39 | 3164.09 | 3812.22 | 2937.15 | |
| Myristic M+10 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+11 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+12 | - | - | 1012.19 | - | 1337.62 | - | 1643.02 | - | 4688.41 | - | 2361.04 | - | 673.64 | - | 1834.86 | - | 1552.69 | - | |
| Myristic M+13 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+14 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+2 | 80508.97 | 44439.10 | 177395.86 | 109395.78 | 301306.60 | 184131.08 | 160317.82 | 122997.27 | 342417.99 | 60403.19 | 83650.02 | 43116.09 | 65274.03 | 59978.32 | 68147.35 | 38783.05 | 100931.40 | 35727.76 | |
| Myristic M+3 | 19675.35 | 11270.31 | 44555.25 | 30678.57 | 75494.33 | 45503.56 | 40111.38 | 30164.78 | 89004.78 | 15177.28 | 20547.80 | 11051.71 | 17057.82 | 15827.57 | 17388.95 | 9905.64 | 25308.92 | 9093.30 | |
| Myristic M+4 | 9898.21 | 6649.92 | 20195.76 | 14121.98 | 33451.34 | 21675.20 | 18940.39 | 13143.61 | 38456.40 | 5030.77 | 9909.98 | 5054.69 | 7957.18 | 6672.53 | 8580.16 | 10539.42 | 10407.99 | 3655.19 | |
| Myristic M+5 | 2805.52 | 2083.61 | 4879.15 | 2919.60 | 7018.65 | 4746.33 | 4274.37 | 3288.03 | 9790.07 | 2899.32 | 2558.45 | 1641.71 | 2788.93 | 3084.32 | 3056.87 | 2291.54 | 4112.79 | 1928.29 | |
| Myristic M+6 | 1251.73 | 395.08 | 1081.38 | 2068.91 | 1500.71 | 1117.50 | 1218.82 | 2138.29 | 2121.22 | 320.74 | 723.73 | 839.13 | 690.71 | 464.77 | 696.45 | 1524.25 | 1045.40 | 498.60 | |
| Myristic M+7 | 240.27 | - | 93.57 | - | 234.10 | - | 149.05 | 308.36 | 677.46 | - | 121.80 | 103.24 | 203.04 | 84.70 | 137.04 | 143.61 | - | - | |
| Myristic M+8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristic M+9 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-acetylAspartic (3TBDMS) M+0 | 2777048.75 | 3497613.20 | 1161484.54 | 2241222.01 | 530466.85 | 1377189.17 | 2672260.71 | 3364950.87 | 1367876.16 | 4384473.60 | 248679.34 | 318803.41 | 526737.32 | 535049.48 | 286342.65 | 257491.72 | 360159.09 | 589276.21 | |
| N-acetylAspartic (3TBDMS) M+1 | 1069677.80 | 1359920.25 | 442874.04 | 865419.05 | 201036.79 | 523860.21 | 1023933.50 | 1303459.17 | 519363.19 | 1711434.28 | 93930.23 | 120010.11 | 201030.85 | 202336.30 | 108422.87 | 96363.25 | 137350.82 | 220990.47 | |
| N-acetylAspartic (3TBDMS) M+2 | 507278.52 | 627971.14 | 215914.61 | 415124.46 | 93719.95 | 235491.24 | 498439.74 | 610631.99 | 242362.20 | 806372.58 | 46034.81 | 56704.05 | 93291.42 | 92835.30 | 52913.38 | 46019.46 | 61948.79 | 102901.47 | |
| N-acetylAspartic (3TBDMS) M+3 | 128318.25 | 155759.61 | 54527.45 | 107754.81 | 23107.44 | 60325.88 | 126729.97 | 157080.34 | 61048.43 | 202257.23 | 12022.41 | 14340.86 | 24278.43 | 22786.68 | 13458.70 | 11893.68 | 15791.02 | 26156.23 | |
| N-acetylAspartic (3TBDMS) M+4 | 49612.28 | 38881.14 | 14382.16 | 54534.83 | 5935.20 | 13986.65 | 32507.49 | 60766.14 | 14436.79 | 47566.88 | 3173.55 | 5561.19 | 5778.67 | 6046.90 | 3640.21 | 5218.98 | 3914.12 | 6599.55 | |
| N-acetylAspartic (3TBDMS) M+5 | 11758.28 | 7000.86 | 2905.52 | 15215.96 | 1141.45 | 2434.08 | 6135.63 | 14976.88 | 2832.20 | 8950.35 | 550.34 | 1327.98 | 877.34 | 1018.45 | 643.06 | 1424.64 | 679.90 | 1147.53 | |
| N-acetylAspartic (3TBDMS) M+6 | 4736.47 | 1031.07 | 505.48 | 8566.73 | 79.49 | 446.62 | 1141.94 | 6782.60 | 359.88 | 1584.47 | 224.73 | 654.72 | 46.87 | - | 153.75 | 702.38 | - | 124.21 | |
| n-acetyl aspartic acid M+0 | 421984.05 | 224229.57 | 866889.01 | 629815.30 | 1457751.56 | 932303.28 | 802984.70 | 635963.99 | 1710329.58 | 290237.00 | 416146.03 | 224758.24 | 328668.05 | 315513.35 | 336533.40 | 205116.86 | 488268.71 | 188131.20 | |
| n-acetyl aspartic acid M+1 | 110524.24 | 55733.17 | 227316.79 | 164736.51 | 385770.00 | 250433.47 | 207623.98 | 167438.33 | 443841.13 | 78304.57 | 108548.15 | 58912.43 | 87143.60 | 83192.72 | 87536.99 | 54152.01 | 124873.78 | 46650.79 | |
| n-acetyl aspartic acid M+2 | 45864.63 | 23583.54 | 98530.11 | 68990.65 | 157034.21 | 102147.87 | 87976.46 | 67779.18 | 187032.00 | 31430.68 | 46946.20 | 25849.50 | 34269.39 | 35358.92 | 39321.68 | 23018.37 | 51699.61 | 20240.08 | |
| n-acetyl aspartic acid M+3 | 9018.26 | 4438.78 | 16936.07 | 13277.24 | 27774.96 | 18283.34 | 16094.88 | 12743.03 | 31192.16 | 5886.58 | 8648.35 | 4825.43 | 6419.28 | 5338.94 | 7195.95 | 4168.45 | 8864.16 | 3674.47 | |
| n-acetyl aspartic acid M+4 | 4551.15 | 811.98 | 4138.40 | 9038.18 | 5321.00 | 3177.00 | 3704.00 | 6574.50 | 6204.58 | 980.47 | 1974.20 | 2294.71 | 1183.25 | 1331.18 | 1823.81 | 2731.69 | 1813.65 | 917.77 | |
| n-acetyl aspartic acid M+5 | 699.88 | 101.98 | 617.40 | 2130.38 | 715.45 | 293.56 | 435.32 | 1333.47 | 987.09 | 3811.10 | 396.21 | 470.18 | 112.64 | 151.73 | 216.82 | 503.29 | 145.50 | - | |
| n-acetyl aspartic acid M+6 | 334.81 | - | 189.18 | 1525.32 | 150.47 | - | 50.29 | 773.05 | - | - | - | 293.56 | - | - | 168.01 | 315.02 | - | 679.37 | |
| Niacinamide (179, 136, 221) | 19896.10 | 20395.43 | 10078.74 | 10000.99 | 7847.07 | 24847.43 | 11684.70 | 8345.74 | 32243.81 | 16335.67 | 18277.43 | 6807.81 | 10539.11 | 19513.75 | 13182.72 | 8866.80 | 17412.72 | 14012.89 | |
| Niacinamide M+1 | 2953.48 | 3262.71 | 1484.59 | 1542.08 | 1122.50 | 3897.32 | 1794.85 | 1289.83 | 5314.79 | 2213.98 | 2763.61 | 841.55 | 1200.41 | 3310.41 | 2015.04 | 1218.46 | 2692.58 | 2099.14 | |
| Niacinamide M+2 | 1019.01 | 912.44 | 437.35 | 386.16 | 310.01 | 1398.41 | 522.28 | 261.01 | 1615.29 | 936.59 | 852.13 | 146.76 | 646.54 | 817.08 | 733.18 | 365.69 | 1188.99 | 596.34 | |
| Niacinamide M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Niacinamide M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Niacinamide M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Niacinamide M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M0 | 57566.52 | 65319.28 | 14174.16 | 8958.56 | 17158.68 | 9679.39 | 16962.43 | 15188.76 | 20649.94 | 18013.48 | 20496.69 | 12943.48 | 17669.91 | 28224.79 | 36085.14 | 28520.53 | 24725.01 | 18099.30 | |
| Oleic Acid M1 | 15179.75 | 18152.26 | 3443.22 | 2649.93 | 5128.04 | 3265.19 | 4423.11 | 4060.15 | 6013.68 | 4320.07 | 4907.76 | 3654.15 | 4438.48 | 8300.07 | 9802.64 | 8642.39 | 6561.81 | 5444.40 | |
| Oleic Acid M10 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M11 | - | - | 1703.20 | - | 98.78 | - | 4746.91 | - | - | - | 3207.52 | - | - | - | 1214.82 | - | 247.57 | - | |
| Oleic Acid M12 | - | - | 516.95 | - | - | - | 1007.78 | - | - | - | 676.00 | - | - | - | 280.81 | - | - | - | |
| Oleic Acid M13 | - | - | 329.85 | - | - | - | 583.04 | - | - | - | 345.35 | - | - | - | 452.63 | - | 266.73 | - | |
| Oleic Acid M14 | - | - | 134.83 | - | - | - | 355.15 | - | - | - | 208.15 | - | - | - | 83.98 | - | 161.70 | - | |
| Oleic Acid M15 | - | - | 113.92 | - | - | - | 107.91 | - | - | - | 90.16 | - | - | - | - | - | 473.97 | - | |
| Oleic Acid M16 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M17 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M18 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M2 | 4004.69 | 4798.41 | 763.48 | 708.06 | 816.90 | 508.85 | 978.03 | 1270.91 | 1890.96 | 1977.85 | 1643.59 | 849.77 | 1401.41 | 1753.87 | 2575.55 | 1955.75 | 1690.81 | 1325.53 | |
| Oleic Acid M3 | 1082.23 | 1060.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M5 | 459.90 | 83.33 | 161.68 | 2132.32 | 1602.16 | 4976.43 | 1081.33 | 1227.69 | 4119.55 | 1913.86 | 143.94 | 1231.21 | 2776.41 | 1365.54 | 246.80 | 475.42 | 20759.61 | 1419.35 | |
| Oleic Acid M6 | 155.70 | - | 72.32 | 655.48 | 708.23 | 1543.61 | 350.23 | 346.53 | 905.95 | 593.33 | 88.27 | 380.64 | 764.33 | 600.91 | - | 148.53 | 6321.08 | 581.98 | |
| Oleic Acid M7 | - | - | 151.76 | - | 261.49 | - | 404.44 | - | 706.05 | - | 168.53 | - | 377.51 | - | 257.09 | - | 2840.41 | - | |
| Oleic Acid M8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic Acid M9 | - | - | 150.41 | - | - | - | 586.84 | - | - | - | 302.73 | - | - | - | 104.49 | - | - | - | |
| Oleic M+0 2 | 83139.18 | 103372.99 | 25290.97 | 11661.98 | 27717.50 | 13671.00 | 14277.34 | 14121.71 | 18176.74 | 19017.64 | 11532.17 | 7940.31 | 10508.66 | 13818.88 | 23962.58 | 17879.69 | 15249.73 | 11184.70 | |
| Oleic M+10 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+11 2 | - | - | 1237.26 | 102.30 | 47.92 | - | 2490.37 | 85.01 | - | - | 1906.27 | - | - | - | 737.32 | - | 160.82 | 72.32 | |
| Oleic M+1 -2 | 26516.12 | 31262.58 | 10070.62 | 8055.56 | 12669.13 | 9654.49 | 9256.83 | 6545.16 | 11737.87 | 9543.85 | 9798.25 | 6775.71 | 7758.80 | 10879.95 | 11469.08 | 8264.95 | 12451.01 | 7803.24 | |
| Oleic M+12 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 111.37 | |
| Oleic M+13 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+14 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+15 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+16 2 | 3509.19 | 3836.09 | - | 712.72 | - | - | - | 1266.94 | - | 1699.07 | - | 2108.94 | - | 2247.02 | - | 4114.73 | - | 4752.35 | |
| Oleic M+17 2 | 1111.33 | 1042.04 | - | 343.14 | - | 351.50 | - | 428.41 | - | 375.78 | - | 743.53 | - | 967.28 | - | 1127.03 | - | 1833.39 | |
| Oleic M+18 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+2 2 | 6745.19 | 7173.25 | 2821.80 | 2237.39 | 4055.51 | 2225.02 | 2552.30 | 1913.12 | 2878.08 | 2621.52 | 2715.70 | 1805.68 | 1722.96 | 2525.03 | 3096.20 | 1693.28 | 3810.22 | 1585.66 | |
| Oleic M+3 2 | 1492.76 | 1559.67 | 1012.55 | 896.49 | 877.90 | 667.97 | 896.79 | 526.71 | 912.69 | 1009.57 | 914.06 | 674.50 | 725.91 | 876.04 | 903.95 | 622.36 | 1327.48 | 576.07 | |
| Oleic M+4 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+5 2 | - | - | - | - | - | - | 1571.42 | - | 1528.61 | - | - | - | 1162.93 | - | - | - | 12822.48 | - | |
| Oleic M+6 2 | - | - | - | - | - | - | 507.41 | - | 1020.96 | - | - | - | 344.31 | - | - | - | 3230.54 | - | |
| Oleic M+7 2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oleic M+8 2 | - | - | - | - | - | - | 270.33 | - | - | - | 245.07 | - | - | - | 419.31 | - | - | - | |
| Oleic M+9 2 | - | - | - | - | - | - | 490.17 | - | - | - | 543.54 | - | - | - | 368.32 | - | - | - | |
| Ornithine (474,417) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+1 | 566.31 | 363.77 | - | 615.58 | - | 660.64 | - | 264.87 | - | 322.44 | - | 562.95 | - | 698.26 | - | 366.20 | - | 464.96 | |
| Ornithine M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Ornithine M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic (332,374) | - | - | 512.55 | - | 204.86 | - | 300.20 | - | 215.98 | - | 575.93 | - | - | - | 148.48 | - | 353.59 | - | |
| Oxaloacetic m+1 | - | - | 107.14 | - | - | - | - | - | - | - | 119.18 | - | - | - | - | - | - | - | |
| Oxaloacetic m+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic m+3 | - | - | - | 70.36 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Oxaloacetic m+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Palmitic M+0 | 172906.18 | 198333.29 | 83854.90 | 71004.02 | 123752.75 | 63502.48 | 76087.55 | 82194.29 | 125045.76 | 106972.14 | 79946.17 | 77016.17 | 76722.81 | 92093.69 | 108465.30 | 99747.49 | 88222.40 | 71584.59 | |
| Palmitic M+1 | 43441.54 | 49799.02 | 22130.51 | 17894.72 | 33126.79 | 17111.62 | 20339.96 | 21339.48 | 33402.54 | 29247.15 | 21652.84 | 19736.14 | 21540.18 | 24130.47 | 28213.19 | 24811.45 | 22817.13 | 18816.90 | |
| Palmitic M+10 | - | - | 97.03 | - | - | - | 187.50 | - | - | - | 77.14 | - | - | - | 121.44 | - | - | - | |
| Palmitic M+11 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Palmitic M+12 | - | - | 384.67 | - | 238.41 | - | 357.97 | - | 542.00 | - | 414.40 | - | 141.73 | - | 201.50 | - | 353.95 | - | |
| Palmitic M+13 | 429.22 | 129.93 | 2397.54 | 3522.61 | 2789.98 | 2302.38 | 3154.04 | 2805.73 | 6065.11 | 4348.43 | 3565.10 | 1939.11 | 2599.56 | 1989.21 | 1549.50 | 1217.29 | 2313.67 | 1329.76 | |
| Palmitic M+14 | 538.91 | - | 1997.70 | 2661.23 | 1808.31 | 1681.85 | 2102.58 | 2424.69 | 4250.53 | 3253.19 | 2562.04 | 1843.49 | 1985.43 | 1975.02 | 1331.97 | 1062.51 | 1655.72 | 1329.73 | |
| Palmitic M+15 | 172701.67 | 211084.64 | - | 136307.62 | - | 84800.03 | - | 205993.54 | - | 258676.08 | - | 16477.80 | - | 31926.91 | - | 15520.01 | - | 35376.51 | |
| Palmitic M+16 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Palmitic M+2 | 12581.80 | 14136.71 | 19317.94 | 22808.06 | 22593.32 | 17600.67 | 21889.07 | 20756.57 | 41596.47 | 33285.73 | 24538.31 | 16773.11 | 20062.37 | 19385.63 | 15405.74 | 14578.68 | 18872.08 | 11447.18 | |
| Palmitic M+3 | 2186.87 | 1801.66 | 4853.72 | 7083.84 | 6150.52 | 4988.72 | 5852.11 | 5542.78 | 12072.00 | 8108.63 | 6728.06 | 4263.66 | 4944.99 | 5328.89 | 4093.88 | 2864.22 | 4357.06 | 3457.34 | |
| Palmitic M+4 | - | - | 2400.97 | 3017.01 | 2606.65 | 2463.82 | 2689.59 | 2792.14 | 5448.70 | 3693.97 | 3111.59 | 2125.74 | 2461.17 | 2358.50 | 1507.84 | 990.24 | 1521.23 | 1323.61 | |
| Palmitic M+5 | - | - | 709.49 | 1209.36 | 789.78 | 859.24 | 902.14 | 1128.35 | 1766.48 | 1354.69 | 1109.29 | 653.15 | 681.01 | 699.02 | 419.74 | 351.74 | 576.86 | 496.96 | |
| Palmitic M+6 | - | - | 337.49 | 2561.08 | 290.78 | 277.87 | 552.83 | 2598.32 | 525.46 | 448.82 | 415.18 | 1444.91 | 325.62 | 347.35 | 147.75 | 707.86 | 122.45 | 69.76 | |
| Palmitic M+7 | - | - | - | - | - | - | - | - | - | - | - | 431.95 | - | - | - | - | - | - | |
| Palmitic M+8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Palmitic M+9 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine (336,308) | 17092.54 | 18004.18 | 52970.99 | 43345.04 | 48688.32 | 53451.00 | 125426.20 | 69440.98 | 125147.85 | 109861.15 | 109430.57 | 56222.72 | 114991.68 | 91998.67 | 97911.25 | 46735.37 | 147878.80 | 78857.93 | |
| Phenylalanine M+1 | 5205.22 | 5594.61 | 15791.77 | 12695.31 | 14154.44 | 14266.64 | 37104.47 | 20198.44 | 35867.71 | 31940.58 | 31918.38 | 16405.68 | 33915.60 | 27502.10 | 28988.89 | 13552.32 | 42772.40 | 23229.63 | |
| Phenylalanine M+10 | - | - | - | - | - | - | - | 75.90 | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+2 | 2026.70 | 2065.91 | 5747.56 | 4854.05 | 5197.43 | 6344.29 | 13719.71 | 7781.35 | 14556.87 | 11615.84 | 12309.59 | 6580.07 | 12150.50 | 10684.13 | 10916.22 | 5211.71 | 16859.83 | 9044.29 | |
| Phenylalanine M+3 | 318.37 | 397.54 | 1134.14 | 987.28 | 1126.21 | 1324.88 | 2785.91 | 1442.03 | 2976.26 | 2059.22 | 2434.53 | 1170.72 | 2760.03 | 1834.11 | 2176.31 | 960.51 | 3247.39 | 1902.12 | |
| Phenylalanine M+4 | - | - | 280.40 | 157.57 | 176.92 | 421.41 | 399.55 | 212.04 | 414.53 | 372.20 | 378.03 | 160.67 | 503.05 | 337.33 | 369.70 | 181.29 | 547.13 | 164.45 | |
| Phenylalanine M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+7 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phenylalanine M+9 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoenolpyruvic (453,495) | 4481.85 | 5402.16 | 257.28 | 6199.30 | 3933.23 | 5154.87 | 265.77 | 3199.70 | 3751.96 | 3459.13 | 180.09 | 5077.24 | 5283.84 | 3207.58 | 155.54 | 5056.14 | 4926.21 | 4411.92 | |
| Phosphoenolpyruvic m+1 | 1500.76 | 2005.22 | - | 1971.85 | 1380.63 | 1667.72 | 74.93 | 1019.34 | 1462.76 | 1032.99 | 134.93 | 1837.20 | 1856.96 | 1462.75 | - | 1633.87 | 1620.74 | 1466.75 | |
| Phosphoenolpyruvic m+2 | 806.03 | 963.33 | - | 945.97 | 580.71 | 886.82 | - | 563.61 | 659.71 | 530.61 | 102.49 | 829.07 | 859.44 | 677.98 | 84.63 | 867.45 | 929.19 | 520.13 | |
| Phosphoenolpyruvic m+3 | - | - | 2841.75 | - | 92.17 | - | 1982.80 | - | 44.59 | - | 5250.60 | - | 153.37 | - | 4008.02 | - | 86.33 | - | |
| Phosphoserine (584,482) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Phosphoserine M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Proline (286,258) | 153450.71 | 265735.27 | 106118.54 | 120851.09 | 84858.95 | 101225.29 | 202782.54 | 193569.75 | 381112.46 | 458402.27 | 341435.89 | 173012.81 | 408079.30 | 191949.53 | 141345.24 | 123582.59 | 291752.16 | 89274.86 | |
| Proline M+1 | 39662.18 | 65132.72 | 26993.79 | 31082.71 | 21368.71 | 25827.77 | 50028.95 | 48797.56 | 96731.89 | 113597.09 | 84832.94 | 42948.82 | 99963.37 | 47964.26 | 35084.93 | 31651.35 | 72211.09 | 22902.96 | |
| Proline M+2 | 17034.16 | 27772.48 | 12639.49 | 13484.02 | 8742.47 | 10176.94 | 23227.59 | 20084.16 | 36791.71 | 46735.82 | 36382.48 | 17815.02 | 39560.55 | 18728.11 | 15118.31 | 12455.85 | 28130.82 | 9117.84 | |
| Proline M+3 | 9582.90 | 4211.22 | 2067.30 | 6365.57 | 1636.47 | 1398.59 | 3812.18 | 7126.76 | 6602.71 | 7678.26 | 6363.33 | 3909.45 | 6574.28 | 3172.23 | 2713.45 | 3348.61 | 4312.56 | 32533.14 | |
| Proline M+4 | 3196.27 | 950.71 | 658.38 | 2754.31 | 323.13 | 6863.41 | 859.63 | 2847.75 | 1223.77 | 1198.11 | 1444.65 | 1788.52 | 1123.71 | 654.99 | 633.12 | 1446.06 | 888.21 | 345.53 | |
| Proline M+5 | 28200.08 | - | - | 28071.37 | - | - | 158.52 | 29706.85 | 178.89 | 225.33 | 330.33 | 23140.29 | 117.89 | - | - | 20218.59 | - | - | |
| Proline M+6 | 5454.38 | - | - | 5490.76 | - | - | - | 5703.60 | - | - | - | 4817.54 | - | - | - | 3874.36 | - | - | |
| Propylene glycol 2TBDMS 247,189 ? | 629.65 | 1325.73 | 368.93 | 553.93 | 68.08 | 254.33 | 822.45 | 821.34 | 597.52 | 2005.70 | 517.42 | 691.85 | 781.63 | 1080.72 | 697.97 | 757.57 | 1042.31 | 1527.04 | |
| Propylene glycol M+1 | 204.81 | 277.23 | - | 98.95 | - | - | 185.29 | 133.54 | - | 296.14 | 75.57 | 126.54 | 75.89 | 224.70 | 132.09 | 109.76 | 193.73 | 228.07 | |
| Propylene glycol M+2 | 96.10 | 107.84 | - | 83.71 | - | - | 93.81 | - | - | 178.15 | - | 116.58 | - | 153.05 | - | 75.90 | 93.09 | - | |
| Propylene glycol M+3 | - | - | - | - | - | - | - | - | - | - | 86.97 | - | - | - | - | - | - | - | |
| Pyroglutamic (300,272) | 519432.88 | 1562755.04 | 2808160.82 | 496186.71 | 2004259.73 | 2329788.20 | 4999632.66 | 605565.16 | 3115793.62 | 3191488.05 | 3519755.18 | 470368.98 | 2833331.65 | 2730048.53 | 2952431.05 | 478243.03 | 4126379.75 | 2422110.35 | |
| Pyroglutamic M+1 | 134919.62 | 392000.77 | 716454.25 | 131846.95 | 502459.43 | 596990.47 | 1289504.34 | 156888.38 | 788628.95 | 819528.65 | 898224.79 | 118900.77 | 730195.43 | 689910.61 | 751314.65 | 122236.48 | 1057466.80 | 622271.16 | |
| Pyroglutamic M+2 | 59463.89 | 166494.52 | 362643.22 | 65854.87 | 206036.02 | 241824.95 | 652644.10 | 72197.97 | 322842.61 | 336914.33 | 422847.95 | 51654.25 | 296734.76 | 285079.07 | 361412.29 | 52953.52 | 422736.02 | 252634.20 | |
| Pyroglutamic M+3 | 30242.46 | 27401.27 | 66517.87 | 59769.26 | 33308.18 | 39842.26 | 119535.84 | 61281.36 | 54917.79 | 53985.88 | 74701.30 | 27368.30 | 49329.95 | 47310.72 | 65891.98 | 28751.84 | 72309.87 | 42311.39 | |
| Pyroglutamic M+4 | 10928.96 | 5914.61 | 18057.88 | 31416.52 | 6407.44 | 7434.89 | 32426.57 | 34987.67 | 9707.48 | 8949.54 | 18191.35 | 21994.69 | 9818.14 | 7829.05 | 16944.55 | 19797.78 | 13025.48 | 8071.55 | |
| Pyroglutamic M+5 | 98904.26 | 1258.56 | 2886.78 | 406532.84 | 766.51 | 2045.23 | 10684.98 | 503329.39 | 1012.80 | 2123.55 | 2949.62 | 378445.13 | 1107.61 | 2213.64 | 2873.93 | 315984.34 | 1380.36 | 1554.06 | |
| Pyroglutamic M+6 | 19646.08 | 197.66 | 793.71 | 80953.55 | 89.19 | 315.28 | 2206.53 | 101039.24 | 96.67 | 352.12 | 640.97 | 75348.07 | - | 346.75 | 598.33 | 62386.17 | - | 410.71 | |
| Pyruvic (174,115) | 292992.99 | 302664.64 | 27171.80 | 392426.19 | 231330.10 | 273562.60 | 40133.44 | 530119.85 | 214666.66 | 289098.08 | 29909.26 | 674094.17 | 374299.88 | 442616.86 | 32536.16 | 1062213.02 | 952560.17 | 610957.13 | |
| Pyruvic M+1 | 35042.54 | 35985.46 | 5902.97 | 47582.53 | 27927.40 | 33317.90 | 7861.28 | 65134.88 | 27065.51 | 37305.39 | 6276.49 | 81555.26 | 45840.58 | 52710.53 | 8216.81 | 128793.15 | 116193.94 | 73841.69 | |
| Pyruvic M+2 | 13724.24 | 14191.91 | 5908.10 | 18042.21 | 10362.62 | 13597.61 | 5888.13 | 24817.16 | 10479.39 | 12363.91 | 5736.58 | 30974.34 | 16560.49 | 18179.03 | 8493.36 | 49531.12 | 44303.75 | 29122.24 | |
| Pyruvic M+3 | 1280.78 | 1165.60 | 280391.07 | 2988.90 | 6084.35 | 1221.64 | 230941.80 | 3799.97 | 850.56 | 1110.14 | 297669.92 | 4019.24 | 1373.20 | 1556.35 | 446385.80 | 6971.92 | 3688.46 | 2259.36 | |
| Serine (390,362) | 87222.29 | 98618.98 | 611689.25 | 519726.76 | 412084.18 | 456337.95 | 1163069.44 | 730671.31 | 1245928.61 | 1462548.43 | 882243.92 | 412355.07 | 854032.55 | 759813.19 | 652357.85 | 299135.23 | 648785.24 | 530947.93 | |
| Serine m+1 | 30333.28 | 33445.28 | 214008.22 | 179052.35 | 139030.41 | 156607.70 | 406644.41 | 254453.70 | 427224.37 | 507826.94 | 311036.96 | 141016.37 | 294979.38 | 264641.47 | 227071.05 | 102840.23 | 223264.25 | 184823.18 | |
| Serine m+2 | 14348.34 | 15618.35 | 101370.46 | 83977.28 | 64104.14 | 74723.63 | 190910.53 | 117595.29 | 199026.11 | 233395.28 | 144705.30 | 65913.45 | 137576.59 | 122418.73 | 106350.33 | 47733.25 | 105321.90 | 85401.88 | |
| Serine m+3 | 3325.71 | 3531.03 | 51745.19 | 18788.56 | 15029.23 | 17379.24 | 66154.24 | 27078.41 | 45430.39 | 54029.95 | 62241.92 | 15029.60 | 31534.93 | 27365.62 | 50445.09 | 11029.78 | 23329.32 | 20448.06 | |
| Serine M+4 | 765.86 | 846.81 | 14449.47 | 4657.20 | 3610.81 | 4460.05 | 17485.58 | 6557.39 | 11491.68 | 12460.12 | 17127.82 | 3713.76 | 8337.82 | 6371.68 | 13845.09 | 2764.53 | 6057.53 | 5067.98 | |
| Stearic M+0 341,129,383 | 104473.54 | 109359.81 | 59067.43 | 53547.44 | 77541.43 | 50844.15 | 57901.58 | 53236.02 | 72276.99 | 67981.64 | 62000.56 | 58947.05 | 67414.17 | 70704.58 | 81348.84 | 74352.24 | 80221.61 | 67875.53 | |
| Stearic M+1 | 30012.34 | 31249.24 | 17032.14 | 15593.52 | 21398.38 | 14982.26 | 15945.28 | 14787.37 | 20712.31 | 18608.61 | 16972.32 | 16408.59 | 19729.32 | 18757.59 | 23025.23 | 20449.20 | 23281.96 | 18797.96 | |
| Stearic M+10 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+11 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+12 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+13 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+14 | 2304.55 | 2518.65 | 1106.17 | 1227.00 | 3884.00 | - | 1443.91 | 1432.13 | 809.46 | 1836.82 | 2293.71 | 1056.78 | 1084.29 | 512.70 | 2527.55 | 1979.93 | 1279.01 | 2105.64 | |
| Stearic M+15 | 1202.18 | 1558.44 | 387.71 | 130.01 | 1337.55 | - | 739.11 | 646.97 | 471.68 | 760.28 | 1020.50 | 559.39 | - | - | 1310.03 | 1000.24 | 480.83 | 1795.87 | |
| Stearic M+16 | - | - | - | - | 1021.96 | - | 1303.57 | - | - | - | - | - | - | - | 1531.42 | - | - | - | |
| Stearic M+17 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+18 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+2 | 8471.07 | 8757.76 | 4901.18 | 4549.57 | 6601.47 | 4287.88 | 4908.79 | 4162.66 | 5744.46 | 5930.40 | 5937.66 | 5384.83 | 5023.69 | 6461.86 | 6699.14 | 6000.49 | 8248.96 | 6383.49 | |
| Stearic M+3 | 1558.43 | 1707.28 | - | 1703.63 | - | 1561.28 | - | - | - | - | - | - | - | - | - | 1229.97 | - | - | |
| Stearic M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+6 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+7 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+8 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Stearic M+9 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Succinic +1 | 2036.61 | 2923.61 | 6019.77 | 4392.98 | 5543.10 | 6525.35 | 9181.05 | 5164.27 | 13221.65 | 8943.07 | 4715.87 | 4536.99 | 6870.27 | 9055.99 | 6223.69 | 3350.86 | 9965.18 | 7848.99 | |
| Succinic +2 | 1807.32 | 1146.38 | 5085.09 | 5704.96 | 2633.28 | 2464.39 | 9170.61 | 5497.88 | 5022.80 | 2985.34 | 3215.68 | 3351.26 | 2337.76 | 4085.25 | 4907.99 | 2986.76 | 4168.08 | 3072.74 | |
| Succinic (289,331) | 7234.45 | 11886.63 | 24621.42 | 13520.75 | 21626.20 | 25150.69 | 36469.79 | 19634.94 | 50392.15 | 37585.42 | 18536.71 | 17053.47 | 25373.56 | 37985.02 | 24989.02 | 12873.43 | 40168.05 | 32533.14 | |
| Succinic +3 | 413.24 | - | 1354.85 | 1815.81 | 371.79 | 340.00 | 1951.83 | 1781.15 | 987.52 | 579.29 | 627.45 | 1453.97 | 242.50 | 498.62 | 836.66 | 1021.12 | 492.60 | 370.98 | |
| Succinic +4 | 3971.43 | - | 260.59 | 16789.11 | - | - | 616.12 | 20714.50 | 86.22 | - | 135.77 | 19050.23 | - | - | 254.09 | 17801.52 | 98.08 | - | |
| Taurine | 1075093.67 | 1165958.42 | 549393.98 | 553194.33 | 453905.95 | 592105.72 | 881020.22 | 780590.55 | 1458683.46 | 826462.29 | 4114489.71 | 2931079.88 | 3965237.61 | 5069576.87 | 1917197.23 | 1655378.72 | 2277880.63 | 1720159.54 | |
| Taurine M+1 | 251671.28 | 267860.89 | 123362.42 | 131546.33 | 102274.61 | 129238.99 | 196156.10 | 184857.22 | 311564.19 | 204751.84 | 922365.29 | 641635.61 | 891706.13 | 1154258.36 | 420994.28 | 408703.85 | 499895.20 | 403804.21 | |
| Taurine M+2 | 147628.75 | 157283.29 | 74003.72 | 81355.88 | 61034.34 | 79150.80 | 120484.32 | 115009.02 | 196572.02 | 132706.17 | 570044.93 | 404846.28 | 533761.00 | 739091.00 | 255383.61 | 250025.98 | 297499.63 | 239979.87 | |
| Threonine (404,376) | 10149.83 | 12171.59 | 37977.74 | 28982.53 | 24452.28 | 20796.72 | 51806.17 | 43167.32 | 63620.80 | 101846.31 | 52719.75 | 33515.73 | 72117.39 | 67118.28 | 91204.38 | 54727.35 | 50057.70 | 55921.74 | |
| Threonine M+1 | 3533.44 | 4502.18 | 12894.86 | 10254.87 | 8545.57 | 6982.61 | 17424.97 | 15384.66 | 20635.06 | 36233.35 | 18518.58 | 11244.99 | 24471.24 | 21828.20 | 31273.28 | 19117.08 | 17656.29 | 19392.36 | |
| Threonine M+2 | 1750.09 | 1922.98 | 6320.23 | 4860.19 | 3992.55 | 3287.13 | 8317.65 | 7023.44 | 9989.35 | 18282.07 | 8156.33 | 5312.87 | 12029.08 | 10071.25 | 14171.91 | 8568.12 | 8235.19 | 8683.78 | |
| Threonine M+3 | 232.13 | 598.01 | 1504.61 | 1024.36 | 1001.65 | 677.73 | 1873.11 | 1658.23 | 2466.07 | 3798.91 | 1986.40 | 1196.52 | 2880.10 | 2128.41 | 3539.99 | 2126.97 | 1942.19 | 2228.54 | |
| Threonine M+4 | 74.60 | - | 297.36 | 150.87 | 182.38 | - | 299.08 | 385.53 | 464.20 | 1025.38 | 347.22 | 255.61 | 694.96 | 586.71 | 813.54 | 398.50 | 354.04 | 367.95 | |
| Threonine M+5 | - | - | - | - | - | - | - | 99.28 | - | - | - | - | - | 99.03 | 204.20 | - | - | - | |
| Thymine M+0 2 TBDMS | 12907.39 | 19174.57 | 15958.89 | 12219.06 | 3281.95 | 14208.44 | 23257.76 | 12800.35 | 20606.45 | 19497.26 | 17880.68 | 8603.28 | 18106.04 | 12358.03 | 13235.07 | 8651.49 | 33304.49 | 18387.50 | |
| Thymine M+1 2 TBDMS | 3214.37 | 4891.88 | 4130.68 | 2799.28 | 753.73 | 3756.23 | 5767.97 | 3195.30 | 5005.90 | 4859.13 | 4565.57 | 2203.45 | 5076.43 | 3669.21 | 3528.47 | 2263.61 | 9145.93 | 5046.73 | |
| Thymine M+2 2 TBDMS | 1180.04 | 1792.47 | 1716.56 | 1299.53 | 375.05 | 1752.84 | 2294.06 | 1259.41 | 2089.62 | 1971.82 | 1876.47 | 956.41 | 1974.48 | 1435.40 | 1513.52 | 879.26 | 3363.08 | 2118.57 | |
| Thymine M+3 2 TBDMS | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Thymine M+4 2 TBDMS | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Thymine M+5 2 TBDMS | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+1 | 240.21 | 204.85 | 253.34 | 176.48 | 171.03 | - | 355.99 | 78.19 | 845.28 | 288.54 | 1174.18 | 224.84 | 1332.85 | 219.21 | 2075.69 | 266.52 | 1072.42 | 237.42 | |
| Tryptophan M+2 | - | - | 71.94 | - | - | - | 214.12 | - | 213.01 | - | 550.10 | - | 340.65 | - | 736.96 | - | 810.25 | - | |
| Tryptophan M+3 | - | - | - | - | - | - | - | - | - | - | 185.29 | - | - | - | 171.27 | - | 115.01 | - | |
| Tryptophan M+4 | - | - | - | - | - | - | - | - | - | - | 99.68 | - | - | - | 77.14 | - | - | - | |
| Tryptophan M+5 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Tryptophan M+6 | 1284.44 | 1453.19 | - | 502.96 | - | 656.62 | - | 737.59 | - | 2077.80 | 185.29 | 1153.52 | - | 2051.24 | 171.27 | 1904.47 | 115.01 | 1688.82 | |
| Typtophan 3TBDMS 489 531 244 | 457.62 | 554.65 | 725.57 | 69.39 | 359.86 | 195.37 | 1051.03 | 272.02 | 1739.62 | 945.70 | 2711.88 | 329.44 | 2944.44 | 902.96 | 4411.48 | 773.62 | 2909.39 | 656.94 | |
| Tyrosine (466,302) | 18256.39 | 17987.78 | 47568.05 | 44841.12 | 44626.54 | 52160.61 | 115668.28 | 72562.99 | 109638.04 | 119537.45 | 98129.66 | 59525.53 | 109970.37 | 100191.40 | 93983.21 | 49037.28 | 141792.25 | 87233.89 | |
| Tyrosine M+1 | 7339.30 | 7789.16 | 19678.19 | 18433.35 | 18175.94 | 21787.91 | 46624.19 | 29143.67 | 45456.99 | 48460.55 | 40034.91 | 24240.70 | 45235.48 | 41233.33 | 38321.72 | 19972.57 | 56249.41 | 34143.62 | |
| Tyrosine M+2 | 3454.37 | 3529.61 | 8679.68 | 8600.26 | 8607.04 | 9110.58 | 21603.67 | 13600.69 | 20059.55 | 22662.90 | 17823.72 | 11204.21 | 21112.20 | 18152.77 | 16875.99 | 9314.88 | 26713.92 | 15893.11 | |
| Tyrosine M+3 | 933.31 | 938.91 | 2398.66 | 2255.45 | 2220.78 | 2309.57 | 5886.16 | 3665.20 | 5838.79 | 5913.01 | 5150.55 | 3042.75 | 6006.30 | 5593.24 | 4739.44 | 2521.47 | 7094.57 | 4653.22 | |
| Tyrosine M+4 | 112.22 | 203.18 | 742.28 | 487.55 | 729.08 | 534.10 | 1367.65 | 915.26 | 1305.63 | 1346.96 | 1205.73 | 775.82 | 1202.79 | 1075.78 | 1149.22 | 576.63 | 1339.17 | 1005.81 | |
| Tyrosine M+5 | 131.12 | 98.39 | 111.19 | 86.14 | 130.65 | - | 344.69 | 170.68 | 486.88 | 341.27 | 287.00 | 198.40 | 439.45 | 290.13 | 322.90 | 213.56 | 662.61 | 599.55 | |
| Uracil M+0 | 62481.63 | 70919.35 | 50558.64 | 45621.72 | 48744.17 | 66856.10 | 48421.86 | 36912.91 | 92981.95 | 43610.96 | 68373.70 | 29275.53 | 45908.14 | 51283.04 | 58826.23 | 29163.17 | 47837.18 | 32234.43 | |
| Uracil M+1 | 15018.72 | 17188.12 | 12386.48 | 11632.18 | 11487.29 | 16382.17 | 12110.22 | 9245.81 | 22262.12 | 9727.70 | 16580.31 | 7153.31 | 10662.32 | 12706.04 | 14035.50 | 7315.70 | 12706.48 | 8011.91 | |
| Uracil M+2 | 6530.72 | 6979.33 | 5110.30 | 4590.40 | 4735.43 | 6583.95 | 5022.95 | 3670.46 | 9381.35 | 4047.63 | 6603.12 | 3010.92 | 4237.93 | 5087.91 | 5911.53 | 3054.71 | 4960.57 | 3425.06 | |
| Uracil M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uracil M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Urea (231, 273) | 9348.17 | 18495.09 | 9444.00 | 6872.88 | 8454.64 | 5951.13 | 17474.67 | 10936.36 | 21820.88 | 14394.14 | 14110.69 | 9506.59 | 27612.95 | 13258.72 | 13342.93 | 9084.24 | 19537.10 | 14088.89 | |
| Urea 3 M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Urea 3 M+2 | 40234.68 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Urea 3 M+3 | 15588.54 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Urea 3-TBDMS (?) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Urea (M+1) | 2866.91 | 4952.04 | 2131.10 | 1530.90 | 2144.48 | 1751.44 | 4277.20 | 2498.99 | 4546.11 | 3251.48 | 3130.12 | 2255.66 | 6101.71 | 3926.84 | 3183.88 | 2070.45 | 4547.42 | 3361.22 | |
| Urea (M+2) | 1011.50 | 1671.74 | 813.27 | 578.13 | 568.25 | 334.48 | 1686.38 | 971.27 | 1986.39 | 943.66 | 1314.39 | 852.74 | 2737.11 | 1531.72 | 1226.73 | 863.62 | 2151.73 | 1286.72 | |
| Urea (M+3) | 58.26 | 184.69 | 230.28 | - | 91.47 | - | 262.73 | 128.35 | 222.78 | 214.34 | 179.70 | 178.97 | 388.60 | 231.54 | 140.84 | 112.57 | 219.21 | 113.37 | |
| Uric acid (576,395,511) | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uric acid M+1 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uric Acid M+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uric Acid M+3 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Uric Acid M+4 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Valine (288) | 34153.43 | 38258.06 | 93260.21 | 81732.56 | 78422.24 | 89440.03 | 251223.24 | 136240.58 | 230869.49 | 224369.14 | 226218.50 | 123725.54 | 231706.33 | 201548.59 | 199699.63 | 98825.52 | 302974.07 | 185274.65 | |
| Valine M+1 | 8895.35 | 9869.73 | 23431.62 | 20044.95 | 20119.41 | 22527.27 | 63197.67 | 33770.39 | 58174.54 | 54854.40 | 56411.00 | 31014.38 | 57393.17 | 49483.15 | 50241.76 | 24075.48 | 74705.84 | 46582.35 | |
| Valine M+2 | 5389.39 | 6688.09 | 9949.48 | 9356.09 | 9723.33 | 11025.71 | 25084.51 | 15137.70 | 23686.81 | 25188.67 | 23297.64 | 14637.66 | 24785.86 | 29107.38 | 20041.03 | 11500.04 | 36396.29 | 24574.01 | |
| Valine M+3 | 1019.05 | 1154.73 | 1612.52 | 1464.97 | 1402.32 | 1990.37 | 4412.81 | 2712.18 | 4567.48 | 4713.76 | 3894.70 | 2768.91 | 4303.89 | 5230.51 | 3373.81 | 2011.48 | 6421.82 | 3930.40 | |
| Valine M+4 | 205.73 | 117.56 | 289.64 | 358.24 | 295.44 | 455.02 | 822.44 | 564.52 | 826.30 | 737.87 | 700.22 | 642.90 | 791.07 | 1259.28 | 544.72 | 384.31 | 1725.19 | 1073.94 | |
| Valine M+5 | - | - | 1252.53 | - | - | - | 1786.39 | 80.13 | 45.27 | - | 2100.24 | - | 78.45 | 238.33 | 1467.79 | - | 182.01 | - | |
| Valine M+6 | - | - | 360.95 | - | - | - | 311.17 | - | - | - | 458.16 | - | - | - | 293.90 | - | - | - | |
| Xanthine 3TBDMS M+0 | - | - | 3032.57 | - | - | - | 8269.29 | - | - | - | 4068.12 | - | - | - | 3317.77 | - | 293.74 | - | |
| Xanthine 3TBDMS M+1 | - | - | 730.36 | - | - | - | 1923.25 | - | 115.01 | - | 1049.92 | - | 44.27 | - | 1055.79 | - | 543.78 | - | |
| Xanthine 3TBDMS M+2 | 897.02 | 340.41 | 1075.50 | 1447.63 | 1173.73 | 1235.88 | 2383.78 | 1746.74 | 1662.01 | 2716.16 | 850.80 | 595.44 | 853.71 | 1336.19 | 693.45 | 479.08 | 2206.50 | 1543.64 | |
| Xanthine 3TBDMS M+3 | 5806.33 | 4881.95 | - | 6016.20 | - | 8201.68 | - | 5536.68 | - | 11372.33 | - | 6516.32 | - | 12177.90 | - | 5895.23 | - | 10879.27 | |
| Xanthine 3TBDMS M+4 | 1821.68 | 1850.36 | - | 2351.37 | - | 3212.87 | - | 2200.75 | - | 4942.58 | - | 2370.08 | - | 5701.04 | - | 2344.62 | - | 4441.25 | |
| Xanthine 3TBDMS M+5 | 1012.12 | 375.90 | - | 884.58 | - | 992.72 | - | 930.61 | - | 2148.45 | - | 1083.86 | - | 2292.76 | - | 1036.19 | - | 1988.24 |
Factors:
| F1 | Treatment:Alanine 18h and C13 Glutamine 60min |
| F2 | Treatment:Alanine 18h and Glutamine 60min |
| F3 | Treatment:C13 Glucose 30min |
| F4 | Treatment:C13 Glutamine 60min |
| F5 | Treatment:Glucose 30min |
| F6 | Treatment:Glutamine 60min |
| F7 | Treatment:SMACA2 restoration + C13 Glucose 30min |
| F8 | Treatment:SMACA2 restoration + C13 Glutamine 60min |
| F9 | Treatment:SMACA2 restoration + Glucose 30min |
| F10 | Treatment:SMACA2 restoration + Glutamine 60min |
| F11 | Treatment:SMACA4 and A2 restoration + C13 Glucose 30min |
| F12 | Treatment:SMACA4 and A2 restoration + C13 Glutamine 60min |
| F13 | Treatment:SMACA4 and A2 restoration + Glucose 30min |
| F14 | Treatment:SMACA4 and A2 restoration + Glutamine 60min |
| F15 | Treatment:SMACA4 restoration + C13 Glucose 30min |
| F16 | Treatment:SMACA4 restoration + C13 Glutamine 60min |
| F17 | Treatment:SMACA4 restoration + Glucose 30min |
| F18 | Treatment:SMACA4 restoration + Glutamine 60min |
