Metabolite_name RefMet_name Blank-1 Blank-2 Blank-3 Blank-4 Blank-5 QC-1 QC-10 QC-11 QC-2 QC-3 QC-4 QC-5 QC-6 QC-7 QC-8 QC-9 SRM1950-1 Standard-1 RCH-AcV-ACM-MTX-1 RCH-AcV-ACM-MTX-2 RCH-AcV-ACM-MTX-3 RCH-AcV-ACM-1 RCH-AcV-ACM-2 RCH-AcV-ACM-3 RCH-AcV-RPMI-MTX-1 RCH-AcV-RPMI-MTX-2 RCH-AcV-RPMI-MTX-3 RCH-AcV-RPMI-1 RCH-AcV-RPMI-2 RCH-AcV-RPMI-3 RCH-AcV-SCM-MTX-1 RCH-AcV-SCM-MTX-2 RCH-AcV-SCM-MTX-3 RCH-AcV-SCM-1 RCH-AcV-SCM-2 RCH-AcV-SCM-3 REH-ACM-MTX-1 REH-ACM-MTX-2 REH-ACM-MTX-3 REH-ACM-1 REH-ACM-2 REH-ACM-3 REH-RPMI-MTX-1 REH-RPMI-MTX-2 REH-RPMI-MTX-3 REH-RPMI-1 REH-RPMI-2 REH-RPMI-3 REH-SCM-MTX-1 REH-SCM-MTX-2 REH-SCM-MTX-3 REH-SCM-1 REH-SCM-2 REH-SCM-3 Factors - Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:n/a | Media:n/a | Treatment:n/a Cell Type:RCH-AcV | Media:ACM | Treatment:MTX Cell Type:RCH-AcV | Media:ACM | Treatment:MTX Cell Type:RCH-AcV | Media:ACM | Treatment:MTX Cell Type:RCH-AcV | Media:ACM | Treatment:n/a Cell Type:RCH-AcV | Media:ACM | Treatment:n/a Cell Type:RCH-AcV | Media:ACM | Treatment:n/a Cell Type:RCH-AcV | Media:RPMI | Treatment:MTX Cell Type:RCH-AcV | Media:RPMI | Treatment:MTX Cell Type:RCH-AcV | Media:RPMI | Treatment:MTX Cell Type:RCH-AcV | Media:RPMI | Treatment:n/a Cell Type:RCH-AcV | Media:RPMI | Treatment:n/a Cell Type:RCH-AcV | Media:RPMI | Treatment:n/a Cell Type:RCH-AcV | Media:SCM | Treatment:MTX Cell Type:RCH-AcV | Media:SCM | Treatment:MTX Cell Type:RCH-AcV | Media:SCM | Treatment:MTX Cell Type:RCH-AcV | Media:SCM | Treatment:n/a Cell Type:RCH-AcV | Media:SCM | Treatment:n/a Cell Type:RCH-AcV | Media:SCM | Treatment:n/a Cell Type:REH | Media:ACM | Treatment:MTX Cell Type:REH | Media:ACM | Treatment:MTX Cell Type:REH | Media:ACM | Treatment:MTX Cell Type:REH | Media:ACM | Treatment:n/a Cell Type:REH | Media:ACM | Treatment:n/a Cell Type:REH | Media:ACM | Treatment:n/a Cell Type:REH | Media:RPMI | Treatment:MTX Cell Type:REH | Media:RPMI | Treatment:MTX Cell Type:REH | Media:RPMI | Treatment:MTX Cell Type:REH | Media:RPMI | Treatment:n/a Cell Type:REH | Media:RPMI | Treatment:n/a Cell Type:REH | Media:RPMI | Treatment:n/a Cell Type:REH | Media:SCM | Treatment:MTX Cell Type:REH | Media:SCM | Treatment:MTX Cell Type:REH | Media:SCM | Treatment:MTX Cell Type:REH | Media:SCM | Treatment:n/a Cell Type:REH | Media:SCM | Treatment:n/a Cell Type:REH | Media:SCM | Treatment:n/a 1-AMINOCYCLOPROPANECARBOXYLATE 1-Aminocyclopropanecarboxylic acid 298282.5332 243153.5410 297242.8611 227923.9025 256783.3663 27474172.4600 28153420.8700 27866372.7500 28196442.0100 28198193.5600 27645648.8000 26644175.8800 31163484.4300 17512158.2100 27921045.4000 28444250.6800 34578984.0700 1413081.7050 30928532.7600 14435826.1400 30860383.0700 34587318.1600 28549014.7800 17277749.9700 21547109.1800 37303378.7100 34928136.0300 29185396.1700 33415222.3400 19447796.2500 38312268.8700 26823558.7700 31401921.0500 31331708.5300 43467963.7400 20231485.5700 12308530.8100 16908691.5000 13950843.4900 25132982.3900 17714625.3600 17511705.7900 34666884.8400 50574477.2100 40645694.7700 20758912.8100 38178988.1800 30996682.4500 66707716.6600 81089903.0400 36343775.7500 50401795.8400 66161172.2600 20908269.1500 1-METHYL-L-HISTIDINE 1-Methylhistidine 167618.5050 14027.3251 13840.4317 13976.2108 13111.1715 1464206.0930 1406575.8570 1409472.3330 1403425.2790 1392070.5850 1415519.3860 1374909.4980 1439470.6390 1426055.5570 1367529.9990 1458907.3440 34429651.5500 18930.9594 2055931.1610 1849372.5470 1398670.2450 1552063.7730 1195433.4180 800250.4166 1275934.8110 1804613.1820 1927483.1110 1084364.9170 1279907.5790 1105398.1740 1806537.8580 1274397.3100 1608309.5640 1325860.8610 1344240.4480 565293.4579 723237.7391 1401552.6210 1172021.4250 1128521.3680 599947.8197 1072888.5110 1458444.1310 1603531.4580 1217004.4910 887298.5992 1476150.6830 1006885.3040 1354259.7920 2329879.5430 1138254.0810 1286601.2380 1864693.5480 541355.2614 2-DEOXY-D-GLUCOSE 2-Deoxy-glucose 66425.0242 11437.2807 10432.3033 10957.8516 12883.0929 848139.7741 887551.2648 891930.4430 886306.8960 883410.9342 895387.3981 888954.5924 891991.9370 776013.2975 887630.7442 890674.7949 350649.0814 15416.0169 43256.0720 42706.7870 32809.6363 53451.7046 30802.7556 11783.4502 18697.3824 102941.1769 83884.1824 44590.0932 37702.1776 13656.0548 112306.2456 70288.1974 81345.9008 15415.8080 13555.6084 13313.2110 666251.7136 2083213.5070 1915633.2880 2481269.8190 1912533.8740 1638811.9160 2366053.2940 3060388.8240 1703083.3340 1523000.5800 2794789.9070 1241802.3980 6896350.3980 9803473.7840 3646081.5940 5734519.8050 6613609.8010 3449420.0660 3-(3_4-dihydroxyphenyl)propanoic acid (misannotated as [M+NH4])_6.659 45827.3435 11941.1961 51152.8256 10360.8264 13125.9860 22328488.1000 24046129.5700 23440693.8000 23558307.8900 23732292.6600 23564976.7500 23525038.8000 23049220.9500 17211029.0700 23650610.5900 23541673.3500 184625469.1000 21416644.3900 28279431.3000 18734573.0800 20446224.1900 26975124.4200 22195985.3900 14231215.6100 13766866.8400 17423984.6800 13348115.2500 13149290.7700 16234178.1800 12601580.0300 54384562.2700 37892407.7000 47637657.0300 32485416.8300 33619885.8500 17539572.9100 11272456.7300 17308396.4400 14609518.0300 23323577.3900 11479902.4600 14610051.1000 11533944.0900 13256912.7200 10380500.8000 7581128.7370 12782248.9100 8373700.6530 38028659.3200 57279684.3800 30927445.5700 41694837.9700 46191242.3500 1871964.0210 3-METHYL-L-HISTIDINE 3-Methylhistidine 11107.6543 11764.5366 11615.3314 11360.0910 10686.1783 609764.9285 614389.8070 605383.0579 592446.4222 606276.4117 716756.2143 596787.7669 614564.1445 608020.6701 604831.1496 677015.3330 69294289.2500 13229.4376 789848.0145 637462.6194 565584.7815 606905.8434 467247.6866 299030.3400 513867.1268 1213864.3450 764486.5630 468460.0282 522996.6161 476109.5831 820325.3069 532959.7207 775622.2809 523691.5698 551366.2916 224585.2450 279161.4401 485572.6827 488840.0792 455053.2578 226983.3722 405520.9043 425259.3720 499926.4568 491208.6691 566308.6777 497402.3281 308906.8764 1484323.6330 930612.8478 499147.4527 512746.1985 785774.8652 203902.3990 5^-DEOXYADENOSINE 5'-Deoxyadenosine 40180.9742 12471.3799 8841.7756 12930.9258 15822.0841 38907.3578 55758.1311 53419.5248 53795.3094 61327.5791 57720.9528 61733.5035 53215.4531 54526.8383 60886.2035 56066.4339 52813.3854 10058.9139 15123.6041 17769.9900 413372.4801 238151.0237 70775.0856 434646.6600 427324.5735 17007.0496 42713.7075 54706.7385 159021.5921 384325.1907 12732.9907 175389.1970 17671.1506 13887.6141 78069.4527 238137.1372 12214.0765 61510.6345 129938.7967 14065.7114 8160.8476 98380.8963 18093.5702 17926.7837 11582.7126 16710.6291 23018.7266 27174.2503 16327.1855 14027.2743 12067.6181 12035.9187 19763.0717 15578.5609 AcCa(2-0) 58562.6217 37642.7093 27373.3426 35312.4606 31443.9571 55000476.8900 56385762.5700 55642867.1700 55867038 56702915.9900 56594135.7200 54662404.1100 56679902.9400 53871473.3500 56541969.1300 56230586.8600 711269511.5000 33909.3282 205182119.3000 118510765.7000 108215910.7000 199794086.6000 163306122.7000 101297525.8000 95146263.3400 46022977.5100 45969971.7600 76389633.3600 78936614.7300 147566199.3000 52432622.7300 58570986.8100 40902026.7300 57567982.9400 56991196.2900 55911252.5500 564804.2344 58490969.6400 80449638.9200 100284957.1000 64419513.9100 56076989.3600 20954936.0900 24257799.8500 6379807.2420 18172076.8600 29374162.0700 9239133.9250 23813878.7900 72198788.5600 24358752.9300 30493317.3200 52985859.6700 16864572.7700 ACETYLCHOLINE Acetylcholine 248598.6120 488408.3624 288307.4024 678833.0494 200116.0902 5708414.3680 5852634.1680 5786771.3400 5914854.1140 5770764.6340 5808882.3880 5750683.0850 5802778.0470 5658973.8830 5739391.4050 5920648.3090 40666376.0700 481849.9806 8085729.4510 7603519.8490 5462328.1540 7909410.4580 5889523.4010 4237327.4170 4977710.1140 7397952.4320 6962302.6380 4628813.8970 5392533.1580 5397259.9860 8922519.5050 5852798.8450 8117942.4820 6676094.4630 6230305.5030 4150050.6540 3175512.3650 7949528.9760 6448294.5450 6432260.9160 5885020.8220 6481201.1450 5102481.7990 5700113.3400 5461812.4140 4485866.8350 6176141.5240 4236057.0940 6231164.5750 8898624.8700 5323253.9010 5487698.4030 8872736.8410 4499810.0770 Acetyl-L-carnitine (misannotated as [2M+ACN+H])_4.906 68149.8033 28637.4924 20824.8530 26637.8301 23921.6597 55027945.0300 56454675.0600 54733412.5300 55857070.1400 56750571.3700 56756033.4200 54582164.6200 56824815.8900 56917636.2000 56303820.7600 56284815.1400 726368858.5000 26578.9241 209547047.5000 122440975 112476971.1000 204068562.7000 167563973.1000 105401589.1000 97301213.9100 47477610.6600 47553890.4800 78531523.6100 80733315.9200 150980212.4000 54371135.1900 60631244.8800 42046162.9600 59494777.2600 59240884.2900 58155070.9700 42540611.9300 60401593.8300 81432341.2400 103443575.3000 66101248.1600 57343174.8200 21594773.0400 24995594.1400 6566938.6740 18737549.8000 30292167.2000 9644447.6910 24428446.6000 73325041.5100 24997776.1300 31125532.0900 53726221.3700 16948155.3700 ADENINE Adenine 566033.5853 2067833.4460 309629.4954 55261.8229 50650.2858 1894453.1450 2060659.3030 1968999.0200 1773997.7940 2194574.7210 2231981.0620 2214503.2990 1860055.3200 2050058.4100 1902621.0250 2044513.9330 229856.9738 99793.8296 1341100.3650 1216531.8790 2428919.0830 2829880.3810 1684742.3300 18884445.5500 1249040.4380 1017545.1870 995317.7038 1362560.5800 1244431.3440 3964731.6840 1272330.8100 1652851.3990 887181.0644 1046931.3510 1426957.5580 1660321.3540 1071368.7630 1028541.2260 1162806.0740 2046331.0720 1309766.9170 986367.2820 1040832.9190 824390.6426 1135467.2070 714240.4639 1187128.1400 1635039.5100 1423195.4180 1328515.3460 778040.2910 1080799.6050 1367990.8200 1373878.4170 ADENOSINE (logical inference by abundance) 79582.5644 23896.8959 31205.9686 22183.5398 26948.8382 69855426.0100 75096126.5500 74512413.3800 75402298.5600 75061244.7000 76507019.6400 73963582.0500 73251744.4900 68221646.0300 73013354.6300 75523592.4100 109702.7978 24355.2385 49811041.0700 25007991.0900 118389494.9000 203311343.6000 100984716.2000 158116592.5000 141488218.4000 52765374.3800 36178927.8700 93497179.4900 174461341.2000 235064495.3000 31522796.2900 65630325.3900 13842042.0500 41248017.1500 64166525.6000 64075832.3400 3270756.5840 53404278.0500 71725864.4600 7164169.0440 442814.1772 62620440.4500 5997181.5590 5383750.1740 521726.3903 615476.9591 24333826.9900 1650542.6530 53090355.7200 63468810.6100 4849484.0900 2790666.6260 20518892.4700 8070512.2170 ADENOSINE MONOPHOSPHATE AMP 48394.2057 13652.1009 9006.3939 14724.2746 15639.7710 845988.9017 857506.2294 826202.1976 848129.8564 846355.5695 731149.0620 849018.8539 852775.0211 979160.8870 847242.7130 761986.6565 74570.8271 10859.4355 1587482.5210 1205260.2620 462370.8287 966731.1480 491863.4800 352690.0022 554816.8137 603752.4806 766375.1208 657875.4964 738091.5050 1344756.7470 817358.3022 495340.8429 550275.2021 856748.6858 615059.3147 325756.5048 176929.8312 1190421.0180 814716.0862 191822.5203 432412.8143 538451.0455 228448.7581 254876.6393 374443.6052 499174.7805 362345.5235 368614.5038 406171.2912 364523.5124 191442.4657 194096.2071 150384.0770 411225.7382 ALLANTOIN Allantoin 48254.0997 10158.3923 7593.6330 9418.2288 11368.7733 267422.9795 263550.8603 266601.5095 272585.2716 264734.5473 271430.8843 244980.4690 259188.1217 266078.7634 267754.1017 219329.3704 334800.1766 9630.0566 291761.1052 360972.2575 236635.1716 354750.3478 301326.9109 140479.3300 184020.1287 321913.9031 395765.7205 277737.2266 336649.1414 209471.7996 389336.0423 320289.2923 273223.1458 295495.4401 303894.8551 96605.8481 166120.9014 407460.4183 185459.0842 320648.1000 170189.7111 185384.8625 285158.4497 222889.5419 259325.6767 69251.7683 362594.4234 251702.9041 186354.6878 458174.1753 197798.3164 306528.8870 525053.9249 106602.9156 AMINOADIPATE Aminoadipic acid 57814.0385 16320.8718 12678.0102 14084.9229 15348.5028 9898006.5090 9914078.7820 10099449.4000 10090322.2300 10108576.5800 10146565.7900 10287466.7500 7117294.5230 11158818.6200 10012734.2200 10224916.3100 2928712.4080 16175.3025 13878967.0300 11583406.5700 2178500.4360 3085879.0960 968465.3491 1163154.8840 706710.0371 2017985.4140 2571897.8390 860016.1379 962030.7453 633430.9861 42460874.7800 19753677.0700 39986610.5800 18552898.9400 14207818.6600 11980603.9000 9446620.4110 15746926.1500 34087696.4100 14152326.6000 26255632.4800 15550184.7600 2317037.0190 3228664.3180 2651585.4430 2047456.8200 1632004.6710 1729869.1330 26216434.6600 35401757.6900 48730302.8400 39015806.5200 36492854.0700 43067286.4400 AMINOISOBUTANOATE 3-Aminoisobutanoic acid 1065135.3410 1274228.1360 1063300.0220 1059386.4590 1100307.9570 1630167.6930 1683898.7190 1572808.5980 1633762.9450 1613226.4830 1610886.7640 1623396.2980 1557501.1100 1361526.1970 1656606.6520 1618311.3900 37348451.7100 2895629.4150 1089521.1950 1137029.3850 921146.3301 1361590.9210 1460031.6200 599743.4319 1124468.5840 1782998.3850 1480173.3050 1373734.2390 1323274.9420 1164871.5500 792959.9917 1497237.4260 1474129.3820 996934.1386 1837398.9850 460038.7454 3346066.1390 1706644.6600 1274670.9610 1781114.8300 820406.1978 1473747.0400 1524820.5520 1466204.3100 722665.7222 1798513.6870 1637247.6710 1784815.3680 966398.2745 1239043.0890 1847595.8830 1360879.5260 1374269.7150 644786.5096 AMINOISOBUTYRATE Aminoisobutyric acid 676615.0849 2481225.8000 576341.0532 607681.8545 4191322.7810 13618644.2700 14074157.7200 13820866.0700 13870612.8500 13854573.1200 14173231.5900 13787159.0200 13483287.5100 12677470.9900 13899266.0100 13530984.7800 354104.5467 712897.0445 16282360.0700 13618142.9700 7082843.8370 17740653.2800 15442784.4600 5346509.2220 10158220.9400 20364302.9000 14973527.5500 12774120 12921429.5800 6709370.5000 12233598.5800 6935164.3010 10856801.1000 8085933.4720 7185874.3290 3076205.0940 4266742.6840 10132702.0500 5234307.3970 12089506.9700 5648546.8010 9809286.0200 9543366.7230 9660421.9090 5271651.8960 8116139.8810 10696813.9700 5165752.0220 8977880.9520 14674579.8000 7217784.9950 8263413.1650 11857097.3600 3436001.1380 ARABITOL or XYLITOL 41096.0758 8571.8486 6552.6333 8004.7605 9341.1870 56518.8780 58704.6663 60083.8533 57626.9498 67749.1303 46662.3320 62540.7568 62755.4712 68314.2758 36211.5931 62100.4134 37341.0407 8907.9292 11527.0899 11378.9875 8434.1975 12058.9896 13630.0106 8895.8159 11995.0725 23968.3347 6466.9168 9583.2498 12566.7931 8904.4577 15063.7098 8235.4808 9332.5545 11526.2875 13660.6755 8688.2472 52607.7344 144289.1857 113804.8158 42729.6232 69807.6985 185014.9666 234839.0729 232099.8593 79646.2136 26648.5419 217998.2041 152131.5326 152456.4134 273599.8510 205862.1157 208082.6026 450551.6846 75626.5500 ARGININE Arginine 10781.4965 255391.0634 252073.0529 133100.1348 110576.4136 113516141.3000 106767067.2000 106485405.8000 105795228.8000 98803132.6500 89387538.4100 90360601.5600 106673406.3000 102299180.7000 99318574.3900 83285833.2800 592015908.8000 66506532.1700 116866814.6000 110132301 87930455.0500 74487885.8500 43947403.5000 52976651.6500 95193039.9300 131325103.6000 207139573.1000 140521010.3000 140010416.4000 66335034.4100 90217881.3300 66073961.7000 86451039.1800 75390149.6400 85443262.1800 35110470.2100 68851075.2200 109567603.4000 93059582.2000 70095900.2500 49689190.0100 83461155.0500 138880466.4000 173932488.2000 111896822.2000 55007522.1600 109537833.5000 120577134.8000 7825613.0440 76666311.5700 63549366.3100 60675743.4400 98735774.9300 32274193.1800 ASPARAGINE Asparagine 7336.3895 9744.6694 8079.1728 7960.1068 8982.7131 62344759.4500 62669600.9500 62181860.2600 62164468.0200 62936122.5500 62123862.9600 62697745.5200 62355239.9200 59287332.2200 62349999.6800 63438500.6600 51597523.6100 16016.1955 90931119.1400 95452126.6800 88480522.0200 90607715.3900 64600845.2500 38458888.5900 30639178.3100 46638548.8600 60415907.7700 44372042.6200 55719117.1900 29447699.0300 11728903.1900 8648678.2200 11188558.3400 8619136.7780 11939614.7200 3288307.5180 57136266.0300 109453640.4000 87770966.3200 94661606.8900 49391420.0100 89538390.7000 63584651.7800 69892660.3600 54301968.3600 35681163.9200 83089444.3400 67363016.2800 6701206.9010 11339773.1300 8225221.7660 6559139.4640 12208465.8500 2983721.1530 ASPARTATE Aspartic acid 30710.9316 39065.1265 115902.4232 11070.6160 13835.0027 37593256.4100 37732663.5500 36943641.8300 38182835.1500 37405083.8400 37454816.5700 37738934.7500 35912074.4900 37802867.8200 37524036.4900 37487800.3000 1091162.5430 15212556.1800 16407415.8700 25438615.8400 69437875.0200 35082907.1800 23294464.1200 106107200 94258123.1000 104776189.5000 98146764.7400 73128721.7600 72880299.7200 119212646.4000 96404921.2500 57945156.5200 95515922.0900 128675884.8000 96225058.7200 94610873.5900 7361058.5040 18147996.1300 36314210.2300 16524637.2800 34558945.5200 28510954.5800 44505731.1100 63736878.9200 152301079.6000 55146083.5900 41155893.1800 52697251.9800 67533302.9700 56367506.5100 98459491.1300 48162673.9200 115903145.5000 81146718.9600 ASYMMETRIC or SYMMETRIC DIMETHYLARGININE 13687.9368 12928.1267 11865.0406 11874.4392 11166.5704 864602.5056 936190.7998 884547.7719 839577.2578 874636.6115 905071.3438 883207.1400 951210.2780 878921.8757 857874.0444 851456.2432 24894023.0800 17020.8475 1517941.5510 1040477.6180 1262548.6770 839224.5580 607785.3510 550945.8246 1038154.6360 926891.9575 1097495.0200 612183.7557 678437.1511 588579.8480 1225865.5410 963434.6508 1263109.3840 695633.4908 825269.2347 393488.2984 334145.5287 705545.7746 744205.5762 775704.6705 197899.4641 685054.9291 765104.7770 916237.4786 875115.0826 343918.1944 652629.1872 440416.4352 855723.9950 1400748.4560 830162.6812 751548.5321 864536.4288 321730.4789 BETAINE or 5-AMINOPENTANOATE 1889322.7680 17618162.9800 16555582.9300 15916909.7500 15569979.5600 59157415.8400 60113786.7600 61646993.6700 56525344.3700 59970533.2100 59945911.5100 60011034.3700 60181605.2700 56323527.6300 55719196.3200 59958222.3600 847772312.4000 17789910.9100 64683026.6900 48606595.8500 42998636.9100 50689087.3500 51619075.3600 20741082.1800 33627792.5100 30928471.2700 29583690.5700 28559647.4600 30983005.2200 26775042.3800 32660191.6300 37967759.8700 35822035.6100 28840413.9700 37167898.1400 18829479.2400 59499403.5300 62521746.7800 63705195.3800 60808408.3900 40012658.4200 50698775.7500 48463221.4200 50153817.7100 41616033.7700 31330151.6500 52650321 42085538.7600 53680612.5300 77285280.8900 50792158.1300 47004261.1100 63333676.7700 34771160.3200 BIOTIN_peak1 Biotin 27420.1487 34678.1254 28687.0439 24877.3065 23819.7118 268305.0069 249529.2725 269110.3332 266598.4089 265484.6467 279482.7470 219729.6416 253798.5090 266041.5278 309304.1731 254765.8614 27807.7376 23066.9971 349065.5439 414250.3480 277740.2757 364775.0852 160224.0689 152720.9015 751474.8411 403254.8406 1439820.9540 384032.6554 1172323.4990 124592.8164 27211.5805 32480.3819 28907.7653 25851.2573 32667.1387 28806.3670 194651.9447 582162.6285 352206.2872 192972.4039 272333.5761 552144.2827 462705.0714 417330.8074 524842.3036 284689.0021 941335.4381 105958.2043 24004.2694 37896.4330 28176.7319 25295.8633 39071.0745 40923.9607 CARNOSINE Carnosine 6614.7110 9714.4708 9558.9958 9035.4813 9550.5561 132698.8526 127320.7637 127161.1281 128901.6393 107709.3246 131332.5326 86657.5271 125420.6170 129159.0738 123839.0872 127090.4313 17693.2297 11496.2742 54884.1549 133183.8294 119722.4786 150783.5086 85460.1458 85659.6606 102407.5633 132473.3348 141198.8566 158366.3341 154842.4298 57633.1063 162429.1921 135714.4820 139657.3423 146569.5107 80180.3342 75323.7889 82829.1174 161264.5716 78583.9652 202051.4414 69238.5446 64032.7873 114624.4580 84712.1522 82050.6981 41834.8651 177320.5991 112595.8081 103078.7039 212358.1554 63727.1894 174412.3730 188798.1779 61722.1463 CDP-ETHANOLAMINE CDP-Ethanolamine 12488.9768 19146.3943 17578.4027 17848.9404 15714.0867 607399.6757 634766.4728 601884.4805 586903.8429 600643.7852 619666.4631 589853.0191 638541.9347 607304.3489 604021.7304 530325.1537 47148.6222 27829.0790 1228723.4390 837953.7967 383188.5273 1199142.1450 528973.2663 412998.7192 576902.7638 431732.0723 399688.0433 302048.0943 456557.8609 389260.1913 616320.7734 344546.0767 678449.8161 290174.4561 324811.9735 171615.9818 616511.1018 1274843.8570 1377948.6500 1279627.1870 569726.4336 1009985.5400 600410.6226 470287.2260 440349.8811 252861.8422 498647.4531 176997.3027 385177.6191 588766.0890 261922.9205 126788.8431 287412.1139 112033.5410 CHOLINE Choline 2137753.2930 317589.5362 560443.1793 3106375.7990 484432.5047 115368469 117028925 118288101.6000 117264329.7000 116942164.4000 117115685.6000 118550820 115006617.7000 105823237.7000 114314366.4000 117854728.1000 372986077.3000 573164 290522874.8000 309056966.2000 295694020.5000 251782370.6000 283928297.6000 317363200.6000 44507887.8200 83338896.0600 83297251.1800 59767261.9700 73787292.2000 77850318.6700 141268152.8000 74897313.6700 135621034.2000 77218747.7300 72677270.7200 87954491.8400 228758222.4000 254355198.9000 357414334.5000 85485409.8400 69649438.8300 174330482 71775560.1400 120510808.2000 193959776.1000 55681862.0700 72712738.1700 54803503.6900 117022128.7000 102417700.5000 101321256.2000 47365887.7300 104576335.5000 34649948.9700 CIS-TRANS-4-HYDROXY-D-L-PROLINE (peak 1) 88238.5477 10789.8786 8396.9418 8045.7433 10355.7591 48310215.4000 49621990.9700 47830616.4100 49998585.6800 49809493.1200 49884326.7700 48840585.3200 49434488.8100 37728114.3800 50985928.2100 49819254.2300 37383949.8700 5367.2575 16874477.5000 28803059.6000 25336940.5000 13492570.9900 9288518.4860 3997242.0380 16363133.6100 48230092.1900 82073037.1900 32482748.6400 43127635.6300 3371239.3600 16000863.2300 12186448.8200 13513752.2900 11784504.0300 15187233.2200 2987599.0410 15223021.1700 26877968.7000 21146282.6000 10912269.5800 12142828.3100 18863619.6900 52250482.8700 49879744.5100 94283281.6600 27091185.3900 62836340.7900 84489806.6600 7465782.8500 16276622.2500 16257885.8900 7180443.6260 24410869.9800 3248785.2380 CIS-TRANS-4-HYDROXY-D-L-PROLINE (peak 2) 136685.1918 13401.2102 10732.7396 10685.7757 12909.0418 51831927.6900 54270023.9000 53269089.1700 53777419.2900 53839388.8000 53816321.5100 53887058.7600 52781209.8400 40383566.7300 53796870.4000 54479479.2900 38996164.3300 8634.0406 13724681.5300 34565639.5200 26803416.7900 9380414.0480 6854566.0990 26795987.2700 49007564.8200 40655011.0800 114509367.7000 25979056.7100 33331336.0600 42576792.9200 22101793.9200 16279832.6000 20341263.4400 14208074.1500 14758824.3400 17713136.0600 18677325.9200 37384352.3600 32982773.0600 8309388.1080 25339134.2600 24311767.8100 39620147.5600 40719653.4400 109699838 29318136.6400 42998355.7300 92790450.1100 6061663.7660 9871602.3100 20374040.7200 5997089.2650 22868554.2800 18114783.7800 CITICOLINE Cytidine 5'-diphosphocholine 18773.2604 29142.7475 27434.4254 26598.7272 27801.9224 633372.0365 567145.9069 493883.6088 511371.9722 488078.9458 609449.6069 458735.8318 583812.9531 547592.4627 557550.4801 536621.3123 55706.9675 46872.2320 2437751.1500 1333975.9510 1722013.3800 1596524.1560 644829.9320 965387.8789 1546914.9000 869311.1571 373111.0500 148968.2304 353331.2625 200208.1064 485019.8220 542101.7747 478685.2419 63519.0557 97485.7762 315415.5898 507604.0428 1222460.2590 2178282.0750 1151165.3030 1106824.1470 127421.9596 141332.9827 375745.2576 149214.6707 133772.1761 87276.3917 29287.9654 556922.4181 306477.8773 86715.9460 32655.8511 67966.5858 75928.0816 CITRULLINE Citrulline 759816.6784 11064.3159 5916.5641 5675.1361 5750.9967 231830.6690 221840.3863 221570.7903 225256.2873 230083.2708 208928.4127 210031.0134 217885.2932 237608.4207 182015.5078 209277.6960 9373546.8330 7782.7411 408605.3695 403672.1307 169038.6061 305724.9516 145566.9424 230378.9864 229750.9511 370760.3489 331200.9250 158115.1584 235123.2054 206510.4765 453962.8660 225855.6474 375739.1043 272314.1944 171808.6262 283219.6152 151140.0256 231842.5948 378469.5190 41793.6189 93274.4022 165246.3480 124640.1732 60031.4798 114413.4807 24858.3300 100614.1195 39910.2477 260187.7501 196383.8923 169958.4085 113751.8366 117777.6261 293935.0223 CREATINE Creatine 94647.6050 36615.5340 12069.4010 26764.7779 24959.5665 400133076.7000 411316495.6000 405374149.7000 405768987.1000 405606713.1000 405141586.3000 406443611.4000 389162631.9000 381365254 403028713.5000 411441807.3000 1051418201 12689.2340 796788640.4000 762420398.9000 651552543.7000 729933234.3000 630022573.6000 494528773.6000 527567680.6000 547967256.8000 573719504.4000 496188862.9000 581140242 542697197 694088777.9000 577198522.7000 685316017.9000 635192084.3000 640707923.6000 480777800.6000 242389580 424178872.7000 389542369.9000 333098773.3000 311821785.9000 356389016.3000 276500776.7000 240281676.1000 274972962.9000 205454775.7000 286648043.5000 234483416.3000 311646893.5000 426847096.5000 298796110.4000 256962471.4000 390316347.7000 224227524.4000 CREATININE Creatinine 1073614.7910 13045.4015 11586.2931 105799.0609 210937.0160 13010648.7900 13586214.1000 13519776.8500 13584328.4900 13608981.3900 13588099.7200 13880335.9900 13143443.8600 10550631.0900 13819546.2000 13815614.8100 769682086.8000 15611.4227 13872492.3700 13895911.6800 10973063.9800 14716164.1900 13251344.5100 6418721.2490 9315821.1460 15222393.6100 20819682.3800 15199943.4700 15858768.5900 9887643.4730 16390409.1800 14583165.2400 12934439.3100 14361615.4000 16656782.1500 6272449.3830 7024036.3540 12856982.8000 5182158.5340 17309985.9100 8963509.3340 11764419.6700 13058519.5500 10763153.7200 10877525.9500 8991814.0690 16051263.0200 11857159.1600 8936574.8380 19208857.5500 9766799.3110 15690060.6600 20366681.2200 5847081.5480 CYSTATHIONINE Cystathionine 8189.0385 12617.1365 11579.6232 11588.7957 10897.9550 13452526.6100 13759705.2400 13433778.1600 13014261.3200 13359929.8700 13509635.8500 12991087.4700 13334742.5800 13347336.2300 13322883.5400 12257814.3600 558359.5302 24037.3262 51424371.0800 23231603.5900 14347167.1600 32183270.8900 27778735.6500 10764308.5700 16934219.7800 23408801.8600 15728350.1400 16539458.0400 17634578.3600 15380088.7900 32793252.6900 15763063.2800 33583835.6700 25245561.5100 20213287.5500 12253439.0800 125862.8384 197050.0958 135827.7277 615361.5612 184885.0728 379497.6794 324635.7916 425859.7872 173668.8442 320692.0825 445547.8061 193001.5022 647254.9009 905674.5583 391372.1629 739675.4271 504900.8874 342489.4344 CYSTEINE Cysteine 32669.8342 11142.6910 8736.4704 9705.9798 10576.7181 4697241.4930 4403178.7200 4588045.9210 4458616.9400 3941789.5590 3108926.1650 1809781.7080 4635542.4630 3327003.2890 4200203.2490 3688231.1580 386871.3445 9469.3330 1349174.8900 4414285.3040 4813697.9440 7512911.0830 5610426.6720 3215652.5690 905656.2938 4244600.4380 3879692.6610 3882574.7530 5266412.5280 2317868.9000 5318962.6260 4999941.6270 2517708.3250 170278.9089 2971630.3120 1862581.9140 2159706.8670 5676689.8430 1959332.1350 6281077.7360 1751460.8520 3869151.2550 3629652.2040 2945292.3240 2709776.2860 1615214.5910 4914719.4930 2532149.1850 690359.9610 9751102.0550 2186468.5050 5162631.3740 5512807.5080 1383886.8440 CYSTINE Cystine 8693.5386 15449.0449 12417.7304 12104.7868 11569.3427 681808.0010 739561.5987 544602.4756 595535.3332 658103.4132 529877.8369 439875.4621 601598.7405 568585.2346 615463.9008 598567.0368 32234621.2000 15478611.5000 1529172.3480 1323617.6290 299909.5472 270986.8673 764553.0820 87567.4982 33733.6325 227615.6330 1272430.1020 1552038.3300 369135.9127 27273.3529 537013.6416 488939.4035 752620.2540 1014025.6980 1219808.6910 90324.1658 3347022.9670 1179545.9300 468293.7355 2235532.1790 595674.0001 1905612.3080 902042.2130 463788.8329 1632181.7090 1040510.7280 484298.4054 758073.0522 198698.4112 272775.3953 592084.2327 1321046.3700 1202770.4670 118360.4522 GLUTAMATE Glutamic acid 9189.7790 71088.2523 985409.8529 95008.8724 55884.5093 645540346.9000 657501720.3000 658780994.8000 659394413.7000 658370582.8000 656843029.6000 658160411 656041734.5000 541415257.1000 656813538.5000 661042050.5000 281657002.6000 51733283.9600 387721774.8000 337653923.5000 510823997.5000 625701575.2000 551623131 385337621 625377443.3000 906124812 759134671.7000 744709503.5000 859970589 581102208.4000 958999213.2000 628922928.4000 801009230.2000 783033456.7000 746863499.6000 425523865 194917161 363946905.7000 354014165.1000 575133735.2000 359403971.8000 429369172.9000 898214494.3000 1295855717 816221951.5000 483228120.7000 966757663.5000 654250472.3000 1322183579 1439699253 915309846.7000 914216307.4000 1039369481 496350021.5000 GLUTAMINE Glutamine 122073.4588 12364.7237 9744.1662 9442.2551 10740.3218 209487993.5000 208222005.1000 211402174.1000 208608054.5000 209070751.2000 206904113.1000 210299500.5000 205941659.7000 206833369.9000 208839402.9000 216143869 569178794.5000 14025.3063 5447291.4110 5868323.8600 17837398.0500 24955038.4800 19150098.2700 18647692.8100 106984704.9000 190431419.1000 159945818.4000 135940542.1000 176020398.4000 146423145 333015743.6000 223660424.9000 273668082 312355063.4000 432597477.4000 177401327.2000 2819142.0960 3559952.3440 3396435.8070 119398139.4000 11175016.4100 16356355.9800 181654058.6000 175258418.2000 122068804 127360003.9000 301938189.8000 172111549.8000 314914235.6000 763249508.7000 293136678.1000 455009578 782444962.3000 267103815.6000 GLUTATHIONE DISULFIDE (GSSG) Oxidized glutathione 11275.4411 13739.2350 12636.5999 11048.2566 11051.4183 3086688.0220 3019225.0200 3312887.8970 3015781.6790 2882541.3050 3856797.7030 4042788.6110 3535718.2990 3322660.4670 2915116.0150 3311203.1610 21384.4352 19359.7536 2082502.3300 4224219.7650 4622112.7220 2668654.2790 4188918.3810 2117132.5080 1331339.0800 1240193.7880 1624663.3440 1365786.5250 1347874.0430 3849059.9880 1593770.3490 4195554.8730 1933541.0390 1918568.9290 4757920.5240 1091788.3430 1977374.7450 3424355.0460 1324362.6610 6540516.4550 746784.5974 815203.2163 2490786.3570 1897967.0480 699648.0261 874161.9031 3957685.0510 5319150.5100 1157805.4280 2097663.2000 440848.9485 2850767.3250 5452786.0120 764273.7950 GLUTATHIONE REDUCED Glutathione 24081.9880 14287.5051 11096.1410 11336.0489 13374.6575 343724292 353002288.3000 349615171.6000 351672517.3000 350856729.5000 350787852.4000 348442490.8000 343719478.7000 298488865.6000 346293912.1000 350586770.4000 187482.0843 12114.4358 327861631.8000 305789682.2000 258411915.2000 379920981.7000 272742814.9000 181458474.7000 323817955.8000 478463360.6000 446260109.6000 357704193.1000 423428694.8000 292000491.2000 462251427.3000 268579386.6000 391608068.7000 265924463.3000 278193272.6000 149915663.2000 122006186.2000 324004133.8000 257979819 281783751.3000 251062868 312968427.1000 365120099.4000 353428041.7000 302063801.5000 345991927.9000 467881877.6000 337861592.7000 313778527.6000 530581771.8000 291165674.7000 306900747.1000 498676607.4000 279767479.6000 GLYCINE Glycine 529272.5346 1666535.7190 1548299.7900 1549354.5970 2597620.4010 41917304.8800 41566925.2900 41685310.3300 41690035.8400 41680584.8200 42854262.2200 41286808.9500 41062982.7000 44659057.7000 40597587.2800 41695300.9500 114691855.1000 7328044.8830 120618525.6000 62831226.9400 79635041.8000 103527235.1000 88726352.0800 35808690.1600 35411983.5300 35678580.2700 18845069.2300 22378592.7600 18056437.4900 31658081.6100 46143390.6200 35038897.4200 39900491.0400 38245037.3000 41644781.2600 18422585.3000 41182706.5300 78920107.1300 64775669.8300 157080279 33674234.0700 56592861.4800 37496171.9000 50191318.3600 23515082.9200 19774388.9000 37924568.4500 16083116.4200 65959524.3900 115475737.9000 38603572.7000 57190400.8900 57717859.1500 15207762.5500 GUANINE but RT is a little off 54948.1296 90963.2595 15072.4558 16608.4558 12084.3416 753493.2304 775753.5313 772791.5757 726831.0851 747368.7881 743708.9219 738847.7321 655587.7585 546868.1767 741278.3270 735616.5673 32673.2202 45451.6546 347678.7982 265638.8903 2790612.8210 1943487.0190 743493.5861 2583870.4840 3509931.0990 485416.4384 341941.3147 671879.4368 1613855.6710 3571259.1290 274249.8386 1688835.5200 50727.9068 320455.3949 557287.0914 1074181.7200 12522.0265 520989.6078 1312070.9670 38428.7946 39678.5690 439969.5968 25985.3596 18066.9353 35003.8004 17610.7302 150356.2329 31780.2605 480770.5079 345031.7980 27802.3953 31149.7844 23439.6602 71568.6625 GUANOSINE Guanosine 50063.6885 9687.0110 7980.1964 10201.9890 11010.1420 1522395.4090 1662078.7390 1608049.9460 1583738.2120 1646303.2050 1638901.1100 1612419.3530 1561438.3990 1369684.0620 1598078.7820 1575875.3480 43910.5501 16946.8155 739322.1858 611315.9564 5555170.5920 4237197.8360 1651202.6200 5439567.7470 7706972.3470 920825.5899 739211.3603 1385165.3150 3575336.4210 7677288.7090 656073.0357 3729580.9290 254946.0983 685555.1538 1281248.8290 2179846.4750 20011.5620 1144814.4870 2992787.6690 91474.1128 8591.9783 983975.2824 63431.0027 27837.5166 8998.8471 11639.2320 279661.1568 35089.4486 1125740.0330 869037.0600 33060.9311 36427.2754 344773.8999 158773.7169 HEXITOL Sorbitol 84080.5484 10765.0035 9726.3190 9900.3143 12125.8317 4103097.2240 4132679.2620 4203416.9830 4156390.9300 4146088.3650 4190488.9920 4131705.3940 4138367.5920 4059546.0350 4142227.9780 4205166.3280 678698.9979 10942.8464 66762.7669 216147.9858 190895.9657 191151.7966 199977.9924 59136.9220 132042.5404 319198.9206 329838.6162 185574.7804 155937.2517 45943.7637 506881.6313 355138.8740 425467.7332 50999.4077 112328.1956 25599.1414 3320439.0880 8760195.1370 8598006.8420 8662756.2510 8100272.4790 7271176.5160 8404126.8060 10891270.2800 7732270.2110 5687994.2300 10023954.9800 5949836.2270 23552704.8300 33010440.7100 16847739.0800 19797097.3500 26990593.8500 15488824.2400 HIPPURATE Hippuric acid 44292.4485 44616.6817 39522.1796 34932.3422 36278.1510 655583.6302 638896.8559 535088.4552 613054.2930 635099.4732 556994.8017 638204.1119 365308.4187 611891.9316 640203.5142 624076.8831 765764.6557 8147.9973 7051.5650 44212.7777 46678.1659 9472.7861 9561.6773 42120.4928 76822.4099 167235.2408 720665.8082 232551.7890 376783.0047 80039.4492 32307.3769 37303.2021 41906.3905 35943.4694 48845.7095 45121.3520 43301.2356 89797.6247 40663.6585 9954.6087 45795.2044 127505.6893 329283.9192 78691.7885 1366196.6830 161914.7585 298660.2647 363674.9062 8413.7806 13517.5216 41643.3886 7901.0944 114453.7580 61242.7845 HISTIDINE Histidine 18426.2031 43885.8779 328386.6976 161210.9624 135809.6259 43886457.1300 41796765.2100 40876811.7800 40282606.2100 41258191 38584419.4700 39178728.3300 42412507.4700 40770398.6000 39468328.2300 39345382.3700 482026928.4000 65173710.0900 81519775.7300 50924304.1300 48267683.6700 71138429.2800 45661998.1900 31536359.3800 34805476.8200 31258373.3600 34782969.3900 28398348.4900 34764891.4600 24612657.6200 66578443.3800 40753844.9800 63609303.8100 48130001.6800 51135291.3700 22775800.4100 25857639.5900 45034728.3000 41532089.6700 44994826.9100 20691227.3200 34869347.4900 34208011.6600 39331256.5100 23859087.3700 15663314.2000 37906362 20389882.0300 39836249.9900 99476496.0300 41230273.9400 60829289.9100 68824955.8200 23255829.2800 HOMOCYSTEINE Homocysteine 32020.2693 7007.5248 6596.4856 6268.7567 8438.4786 316171.7599 320868.5041 295340.7188 314656.1930 322321.7340 276025.2445 257931.8914 246107.4448 250664.9116 266039.5061 311766.1049 6535718.0850 9970.7817 36620.0550 285147.2197 316239.4511 220660.8096 133150.0319 113963.0356 73409.5595 223377.1666 349628.7313 226497.3779 242836.3639 190634.8850 342951.6024 199568.3518 259970.4749 147725.0464 217115.9290 121735.3304 97845.3080 458162.3194 285339.5786 424806.6248 566011.2902 371909.6290 522067.5939 341478.1490 708024.9600 837144.0376 359233.2812 487150.5481 606065.1710 740710.4671 315190.8424 513875.4779 698428.2190 490152.9397 INOSINE Inosine 51133.6590 18858.4739 14601.1534 20029.3193 18030.9171 530113.0309 509405.0094 488907.4382 470323.0559 493561.6433 489014.8141 264947.7258 543354.3982 434927.2442 491288.2287 507894.2218 39046.3363 17976.4650 65862.1578 108615.4229 1307175.6760 892886.4029 194585.8450 2110865.4380 1242622.3220 271841.9656 185823.1368 207480.2690 680776.7399 2877760.7810 130907.4601 438158.2609 38008.2148 32749.3778 220718.6158 565418.4821 34528.1902 930507.9566 1118695.2680 198226.3732 7413.9135 2204292.9670 70777.7407 25909.8498 9844.3407 17581.3448 286529.2453 83769.7531 511862.6399 543434.9970 83896.3135 54857.6635 673658.0658 316662.0337 ISOLEUCINE Isoleucine 2146409.8170 333131.0362 1111649.9780 446876.6756 154156.7859 216111780.2000 224765536.1000 221198930.7000 224141770.4000 223365359.1000 223516814.6000 222084805.2000 222526766.9000 222946063 219401471 224499931 732303138.5000 113275819.2000 179882256.1000 132910853.9000 168878094.8000 215902333.6000 163726251.2000 111095242 144342513.3000 207532211.2000 172329633.7000 150525863.8000 185890194.1000 141034761.2000 424232842.5000 290430475.3000 378311309.5000 283244260.7000 287002305.2000 146170842.2000 83186250.2000 164066763.2000 117375940.5000 166472429 84587606.8100 139324493.8000 161531671.3000 178205406.4000 130024928.7000 94770371.7400 168768648.7000 129866013.7000 301213456.1000 518102939.9000 264606603.5000 341161843 423589368.3000 155780874.6000 KYNURENINE Kynurenine 27773.1321 6673.8212 4423.0575 6078.2589 8058.8083 98289.1283 103605.7600 104390.1079 108531.4866 104405.1341 102806.3860 115102.4004 84812.7096 91341.8510 95953.2260 104549.8504 12273607.3800 6715.5150 130072.3161 159077.4991 191645.9430 113417.4207 92430.2606 90611.8484 132713.7726 162627.9298 237406.0874 116450.2311 162002.8882 88121.2567 187201.1453 161514.2827 133863.5580 134626.9833 183494.7953 47570.6407 97665.6491 188772.6692 45864.2254 116711.7585 103824.4421 175418.7408 157601.0834 124225.5476 131241.5664 64672.5205 130985.6647 95551.8506 83774.5339 204367.1768 72203.8505 98834.6508 147323.8891 53552.5231 L-ALANINE Alanine 738595.2206 935837.9060 903344.4304 402976.2073 732369.0707 36593276.5800 37262163.8100 37229521.0600 36989129.1500 36977116.3500 37079594.9600 37087990.8900 36581769.3900 32845541.7900 36225841.6200 36983122.7500 324390852.3000 17577193.4200 87757788.1100 59968917.9600 42785605.3100 68144328.2100 47504477.6100 32315571.7700 38593993.8900 51493226.2200 41559604.2600 21245542.9500 26008373.2000 35330752.7600 69351312.2400 34552915.9800 64119998.6000 38508607.6400 32859125.4900 20666844.8600 25200315.3400 56220010.3700 44891030.9800 47498345.3300 29873506.4300 43829650.9500 10129012.5700 11029199.0700 7475592.2320 7123275.6870 11269271.4900 6134068.1530 19137004.9900 37005616.0700 16363522.1100 20983424.3400 23784818.3100 9304778.3620 L-CARNITINE_6.587 Carnitine 406594.3185 14610.6327 22491.4895 15300.6992 17990.2932 33902488.2500 34960110.8400 34596003.3000 34569209.3400 34622797.2600 34857401.6400 34806134.9300 33775776.4100 31638737.6200 34160884.1300 34922128.3800 855150373.4000 21735.5469 17144486.0500 29592940.8600 20848574.7900 25157966.5200 11869241.0600 23690728.1100 23324814.3600 66822086.6700 102079064.4000 33288771.1400 45476834.4400 26852979.9400 121599031.6000 49233494.9400 109554472.1000 84527005.2800 79079441.4700 37729932.9200 5357180.9780 20532644.9500 14945182.3500 17800187.0400 32892077.3600 33878883.9600 25680564.8500 36880463.0700 50362171.9400 24739949.5500 43421172.5700 52824789.5000 39439854.9400 58773442.4000 60900925.3400 40993755.7100 100313984.9000 52039352.9800 LEUCINE Leucine 1101907.3990 406490.5770 736036.2358 683671.6306 161934.5149 236296704.2000 249122072.1000 246092728.3000 248642316.2000 247366117.5000 252032778.2000 239661092.9000 249648382.3000 249599677.5000 243293771.1000 248004216.8000 1367881893 123963203.7000 204042837.6000 154972610.7000 193652213.8000 233495794.3000 208863556.4000 136570300.3000 164479053.2000 226650825.1000 187273030.4000 165454007.8000 205421387.6000 163634531.2000 470863078.2000 339949310.5000 435382897.5000 343621929.5000 327204038.7000 171656459.3000 88098397.2900 186559796.1000 130555713.4000 186916413.2000 93086612.7200 149170963.3000 175374285.7000 196284866.9000 142154892.1000 102301145 174021966.3000 147084705.4000 340357607.7000 509464064 289194901.2000 372117734.2000 439335219.3000 173569146.3000 L-ORNITHINE Ornithine 16798.9814 11127.0268 55359.1446 10887.4272 10821.6232 3301976.5690 3316406.0210 3290235.5470 3385369.2160 3224860.9160 3278494.5250 3562860.7140 3151731.8010 3338300.9180 3288747.9210 3289679.5240 92807915.3500 17538.0980 2522303.4040 2822170.3910 2584560.7780 1330033.3690 2163956.9680 995930.2735 4409347.9330 5205765.2600 5429036.1170 2441148.8400 3544410.1620 2983444.3320 3935458.9640 4006509.4520 4338652.2310 2789180.9980 3131717.2820 1046887.8850 1067690.9790 1394829.3220 1234694.7560 1057216.6490 658970.3047 926113.8397 4403888.9300 5744217.9820 6896235.6290 2553336.6340 3408457.9740 2271450.6930 3560494.5410 5386856.7330 3772038.9690 2780129.3540 4573749.8680 949520.8382 LPC(18-0) LPC 18:0 55141.5346 15360.3903 9734.2261 11940.2993 15965.4784 4425401.5600 4613440.5710 4673376.6570 4758692.0370 4676988.2260 4764488.8190 4658842.9210 4669765.0890 4259225.1470 4743810.7110 4845910.2260 275113552.2000 11953.8617 1563965.7660 4404430.7870 9335342.8370 5539577.0670 5727957.4130 16914401.9900 570907.4056 623169.5930 944493.8313 828156.3962 739159.6800 1458715.1950 2128460.9040 1352130.0590 1674935.7590 1553153.1300 1168548.7200 1222892.0250 6851952.9250 11311365 11596056.1900 6731098.6340 16941345.1400 10336630.6300 1762064.9680 971805.6118 16265918.1000 11557930.2600 4733885.8170 18353601.6500 2718707.6530 2307686.1930 2607020.5920 7196733.8080 10820355.8300 2824321.9500 LYSINE Lysine 612534.3836 214099.9957 250811.3956 29508.2083 25448.9052 18735031.2800 18362400.6200 18661640.9900 17314326.9900 19371735.6700 16590116.9700 9528943.7400 18311950.1800 17813138.5900 17494296.6400 14696769.0600 509362100.4000 19969593.9300 31062258.0900 18606169.7000 15893474.2500 23083243.4900 15556667.5900 8455440.3230 9604195.3940 13740826.2000 9279246.1110 9587370.6670 11723644.1200 5776247.7260 43076801.8800 30061589.4500 42676478.3200 32151899.8900 36199021.0800 11924593.5200 10242585.0300 17464530.6400 12466827.5800 26375419.2200 6387214.1980 11850795.8400 8908259.0730 12735653.5200 7142245.5600 4298672.1950 8608414.5140 4566782.9410 32330100.7800 61288917.5300 24125050.6200 39573928.0100 38943663.3300 9060851.9850 METHIONINE Methionine 65313.6887 13032.6228 61252.1638 12945.1674 14311.7581 61274089.4900 65316948.9300 62019074.5600 63074534.1400 63818341.2100 63281232.6000 62814943.6100 60601037.1600 56231904.5700 63390628.5100 62944738.8800 280623791.4000 86149165.3600 55751083.9300 42810898.9200 46919095.5300 59261150.3800 45207700.1900 31976652.4900 42106977.2700 61374751.8700 51776107.7400 42827721.4400 49789892.1000 37160719.0700 127910172.1000 80524483.1100 116940974 86409339.4800 79178820.4900 42187418.3800 25391586.6800 49833733.5900 37925752.6200 47435034.1900 26872793.8100 33554267.7900 38529465.5200 41486241.8500 38856219.7900 21629422.9400 39347659.2900 31112646.6600 88577456.6300 135726172 84449029 89713837.8900 113915836.2000 44399287.9500 METHIONINE SULFOXIDE Methionine sulfoxide 8344.0394 12274.7339 9784.8932 9529.9870 11116.6373 694346.9171 697454.6560 702937.3996 695742.0026 699167.3095 691436.0292 708087.9369 707600.5892 556757.2996 692873.3838 741213.7003 2708084.8450 205766.8986 703299.9299 611060.2884 1587932.4420 433224.5539 136278.0359 270116.2534 800527.2748 481156.3510 498552.3690 421216.4431 567248.3821 498683.9939 523873.7306 480831.0731 414017.8564 82199.8351 441083.1975 94571.3857 445073.8176 658581.6280 564216.1632 1108060.3930 187727.2215 329879.7958 1114397.2220 998799.8861 869209.7555 380094.2524 1085760.4650 841644.2487 330054.6453 1119598.8770 310103.1198 252392.8033 671930.9236 86546.2849 N-ACETYLALANINE_peak1 N-Acetylalanine 36521.7036 44802.9797 34680.8625 28411.4448 26748.9456 456473.8573 419321.9624 426998.8640 428373.6671 425624.0610 440051.1008 380221.2012 394704.8814 450479.4111 463827.6685 226462.5528 2744776.9420 45618.7295 1078256.8350 708989.8221 577826.7568 320709.8180 115814.1133 265900.4516 234989.4721 250485.9254 389305.5237 294463.6434 534463.9122 93305.6953 473531.4495 224132.8194 228410.7777 337081.7393 488119.2796 107322.5553 209601.3337 788168.5954 486835.4171 409789.1095 135134.9997 338705.3734 438302.5289 248626.7633 231943.9102 130863.8952 467130.5108 50408.5725 84782.5942 629290.1874 157180.6127 318002.5570 290587.1187 84223.2585 N-ACETYLASPARTATE N-Acetylaspartic acid 197636.7585 155838.7547 164080.5960 138158.8981 129158.8325 3180027.0120 3019227.9860 1824527.7970 3138521.2970 2936380.1340 3201536.2570 2960578.5000 2942111.7550 3049549.8990 3072457.8760 3401416.9340 139640.6013 151561.8321 6597624.8090 5102854.6930 5093476.9670 4373035.1580 3645672.7010 3109881.7720 2784269.7060 1613056.4160 3377300.5920 2659036.6260 5435662.3190 1798708.8780 5864937.7470 2981733.4800 4235574.1750 4319466.0540 5315170.7560 1859867.0400 2317425.2610 5171233.7570 3020161.3540 2978770.3410 2532566.7140 4403954.0960 3703825.3670 2424995.9870 2553026.2650 2274420.1740 4574217.2410 312684.2302 2124616.0210 3422671.6940 3158975.6450 3820449.6160 6920505.7880 1332477.4830 N-ACETYLHEXOSAMINE (peak 1) 64979.5640 19493.3499 13979.9373 18379.0119 24521.8153 418501.1676 463671.8335 454851.0501 465749.6073 476322.9452 481148.3142 443952.4928 397991.8519 389958.6686 448500.7906 495169.1950 742570.3267 23277.8555 24344.4769 16526.7067 24218.3856 48939.9994 23977.2264 14052.2371 10217.4907 44412.6455 34751.1283 39634.4702 36826.5667 38414.4605 85631.2844 43635.3236 16315.4324 9068.0259 17975.3818 15604.7932 17412.7024 26221.6144 20106.7958 30774.4101 17116.4856 9894.7908 32135.5535 29081.0641 16931.4913 25703.9837 24348.0401 15866.7421 17857.7808 39649.4092 15661.0137 21774.5779 32213.6629 14204.8394 N-ACETYL-L-ORNITHINE N-Acetylornithine 125956.2431 9653.0200 130379.5791 7494.4012 9245.3544 992956.6984 1013945.3480 988670.0694 1011056.5310 985824.8906 1016335.3300 1007966.2120 971498.1332 842852.0188 1000461.4550 1004407.4250 14679409.2200 12987.6626 1359738.6900 954169.5620 835900.5418 964539.4200 799762.4351 693323.2657 1004122.9310 1737652.6310 1308432.9290 697989.5122 842206.5674 863876.7221 1810638.7280 903343.0544 1189812.1900 890713.7860 717407.6255 551427.0473 447879.1754 902955.2456 785337.8443 868528.9573 624220.4630 636752.1321 899600.5062 1100882.8320 1009754.6420 552301.2789 903149.1500 576995.9577 1056528.2520 1583392.5370 1089175.7640 953612.5782 1045936.2710 693192.6895 N-ACETYLSERINE N-Acetylserine 74977.2515 59887.5661 67859.3218 54732.1990 51282.9027 1457312.6820 1317004.8030 1336382.3020 1475899.4010 1373847.7790 1502814.4730 1105186.3740 659773.2839 1440386.7250 1467611.0410 1415580.2300 668477.1979 76919.1935 3640570.7590 2925439.1130 1284314.8250 2894083.6560 1314560.6830 719923.7954 573105.6530 689348.4771 1481057.2000 996191.3637 3352963.4280 292546.2222 3113382.7620 1471150.9390 2355615.5690 1081606.1880 2233112.6960 638920.7596 1108554.6520 2839095.0240 1981469.8530 408891.3293 1344806.5400 2359783.0430 2466009.8850 375167.9133 1018911.0610 779264.1546 2750127.6590 177128.3631 1778439.0540 3271684.7550 1450740.6920 2652328.4850 814638.6990 628354.9812 NICOTINAMIDE Niacinamide 111795.0443 87232.3959 627538.7255 75448.7213 70765.4638 74850989.8000 74352149.1000 75867027.6200 77843581.6400 74663527.6600 72410014.1900 74040770.5300 73821348.6100 72135777.4800 83118868.3300 66829899.0900 14005290.5000 342616.0777 135608063 68054907.0400 66517149.7600 144162673.6000 90940575.3000 126277784.7000 77799237.5700 55456418.5500 85277195.7500 79478082.6400 199273359.4000 79375765.3900 110386896.9000 54912869.8800 76768692.8700 104836273.3000 105872878.8000 78170491.6600 33761418.8100 78061709.5500 79258556.4400 51459137.0300 45603210.3700 83685298.2200 55751361.3900 17183235.0800 70275448.6600 77654779.1200 82560305.5600 8869675.5910 66544431.5300 72112562.3700 59807454.2400 83858117.7700 106769076.9000 43878572.7200 NICOTINAMIDE ADENINE DINUCLEOTIDE OXIDIZED NAD 32522.7774 60041.3150 44271.5147 43949.7578 41246.8552 9040372.0920 8975528.1480 9042579.6960 8754124.7830 9025196.2610 8855257.1770 8486882.2590 9118084.1510 8580131.9800 8940226.7190 7669990.6250 105834.1865 65046.8600 8970227 13967502.2000 13788429.1900 11600546.1200 10696798.4700 7025900.7120 19304662.0200 7973989.5140 8424332.0720 15242741.0600 14462628.5300 11395220.1000 8450945.2100 11074076.8700 13280919.3300 17341184.6200 13360580.4200 10471126.8500 7155176.7130 8820767.2690 10172124.4300 13486253.6600 7868419.1440 11033611.9200 8635856.2390 10447526.4300 3005545.4570 7992322.4650 12427478.1500 9933046.2270 6054741.1730 9700643.2710 8966264.6050 13427437.4800 12108665.7100 8878289.9300 N-METYL-ALANINE 1221447.6130 2481225.8000 519179.6549 544469.2051 4191322.7810 2745358.0320 2718046.6560 2633257.6080 2679708.8040 2690545.6190 2693063.4520 2665799.1790 2510059.1610 2685127.2110 2652095.3200 2691468.7470 88860548.3500 722860.7640 3067382.7390 2304243.8090 1886224.8480 2629300.8760 1988250.2180 933576.9386 1205957.8660 1684132.8780 1361365.8820 1325664.5460 1533220.3850 1145631.1880 3365660.9760 2093517.5260 3239623.7700 2951745.0610 2817953.8900 1573488.0340 1740185.3100 2850834.2740 1660018.1880 2652176.9160 1535848.8930 2176812.4710 2002884.7010 1981049.0250 1335000.7080 1542344.6330 2184324.8910 1276702.0410 4100999.6960 6502105.4130 3238385.2750 4208555.1120 4389758.0170 1947641.0890 N_N_N-TRIMETHYLLYSINE N-6-Trimethyllysine 7620.8914 11192.1634 11013.0388 10565.7573 11003.3152 327229.7072 340656.6096 322079.4858 308357.8515 288217.2909 343114.6629 260585.9083 322283.6167 298901.2841 315320.7341 238675.8660 9280414.4520 10030.5734 488922.8202 468710.0256 276437.5559 320159.9183 162376.2667 137946.2835 93693.4762 401733.2166 399479.6881 234665.2755 268561.5045 71554.9743 415245.8620 278340.0510 402615.7831 253642.5079 275288.0176 119794.5826 208586.0186 404030.6496 309904.3523 336004.5214 165654.1773 135868.2922 271602.0801 422444.3376 255138.1104 73048.0489 282575.3909 200398.0927 262388.0086 562320.7551 244937.4765 320053.7787 329387.4307 101155.5509 OPHTHALMATE Ophthalmic acid 21403.3592 9334.2930 7642.0387 8117.2642 8562.1641 846739.5543 889870.9196 864655.8270 865289.4407 864022.2133 878364.3628 878387.9548 839749.5568 733135.3695 864093.5521 876067.8154 63745.8177 11486.3899 140377.7058 184412.2357 336467.9725 1244067.4670 818803.6918 698144.8234 171794.2429 191070.7048 84387.4487 532765.7632 720529.3865 1072913.5880 423347.5540 476371.7098 586446.0043 2129074.6630 1707049.0740 1810644.0310 38949.8069 197225.7075 82127.8923 93495.3856 166197.5971 317259.3062 235744.9804 115505.0148 103972.0599 117895.0837 409119.2783 140535.0849 233135.3184 677062.0683 150109.6126 476843.3027 775450.5236 130292.7481 PANTOTHENATE_peak1 Pantothenic acid 31907.0509 41463.0864 32064.3023 29471.0158 25164.3143 27372535.9900 9144869.2030 24461513.0400 25507904.4100 25807660.7400 26222488.9100 21785717.2200 22834997.2200 26195021.3800 29072466.4200 25657782.5700 8996107.5430 53005.2399 65476304.8500 35913404.7200 37877628.0500 78435709.6100 39369753.8500 22509158.5300 30408889.2900 31753206.5900 38831735.3100 26684339.2200 51411043.2600 3589449.0840 71728645.2900 48281947.3600 45303987.9100 53546291.3300 52233291.6500 23337109.7300 12506830.6200 38426058.6400 25031716.3000 32486710.2800 21395526.6700 37054270.2000 30898129.3100 27427922.3000 16923096.7200 22244939.2400 45465949.8100 2691920.2170 26448006.2700 66807920.1700 32759408.8500 63128921.8200 51565820.9900 28267965.6000 PC(30-0) PC 30:0 79253.6324 27325.7645 20049.8055 30364.7851 27106.4814 15179133.9300 16502237.7000 15962249.2700 16580041.0900 15995582.7800 16045390.7700 15322479.8700 16089809.8100 13628673.5300 16359780.8700 16020486.7700 8295750.0010 23576.3354 893922.2101 709603.3710 1905469.4530 2835409.1270 1287179.4330 1513173.7610 23040759.3600 26852912.8200 27734135.0200 20751718.3800 28655383.9500 13566787.4300 30516094.4100 21092075.1300 23236839.1500 20182995.4600 20784907.8600 9935150.4970 331630.9396 885094.5288 689326.7716 989013.1296 1787562.5370 1649006.9960 20002548.2800 19251908.8600 22160614.5800 15107641.3500 18327582.2900 11449194.1600 17836088.1400 34091441.7100 15087356.8200 18552569.8100 27543231.9700 11272092.9500 PC(32-0) PC 32:0 59697.6901 21320.5488 14653.0771 22872.2328 21063.8170 12812401.0700 15423181.8900 14927589 14404552.2100 15323267.8500 14702624.2400 14937151.1000 14819898.1300 13323763.0700 14761261.1900 14564805.7100 12059809.2400 18001.3065 6168501.7410 3949304.9580 17747286.6400 16278131.2200 7517672.9220 10587531.8200 31493380.0700 26570098.3500 29074730.2900 29421399.5700 28209317.9900 29328695.7100 27303009.2500 27940616.7200 21257095.0300 23396795.4300 21879497.9400 21969556.5700 110654.3865 3753141.5780 4781396.4710 3459096.8070 4392158.6300 8129375.0560 27184118.4600 22815671.7500 23222452.7900 20309203.4700 25147427.3900 13576162.6200 13999003.3700 20992709.3700 8433379.9680 8629372.3990 22530188.7000 18487144.8700 PC(32-1) PC 32:1 79972.5078 31247.8123 24780.9434 34527.4013 33223.0880 50583886.0800 51567789.2900 50266303.9800 50165034.6900 51912119.2300 50747024.5800 50582751.9000 51076973.0900 48301487.0900 50665455.3300 51512923.2700 58493344.9600 27016.5134 5548379.8910 4802987.4640 6081539.6600 14607581.7500 7001157.3760 4926780.5580 51768345.8500 61977330 71847809.9700 47070027.4100 62559363.7500 33690338.8500 88226822.1400 59906046.7200 68562998.1900 54559184.0500 54932707.0600 33266865.0200 2730056.2440 8568732.8580 5787036.9460 7837988.0930 10762178.7600 9445378.4100 66775527.0400 81178328.1400 86452383.1600 71808054.4700 56303196.8100 28419069.3800 92324797.3200 117191822.2000 98017762.1000 111006960.8000 88468773.9100 62994108.1800 PC(33-1) PC 33:1 76496.0110 31166.9482 23703.6874 33026.4555 32823.1920 9983206.7550 10091123.5500 9955332.8400 9696348.3340 10224018.1000 9909686.4180 9927458.9250 10192704.5600 9452156.7150 9948278.6810 10143539.3000 3951795.8690 26256.8439 3256959.5240 3044522.0750 3909645.7340 3582521.9760 2339513.4300 2680163.7760 14291113.3000 11301059.8400 13103495.5200 12860167.2800 14391984.1300 10907905.5100 15405459.9000 13147149.4200 13452427.8800 11255173.4500 10306188.0600 8821531.1190 1316444.8610 3106350.6270 2488912.5260 1998035.6740 2461875.1840 2969773.5860 14766363.4800 14171400.9700 13584920.2200 11501849.8400 12259729.0300 3980661.8920 13071195.6900 18964985 12690392.1600 13134181.6600 15266870.9900 10826496.8700 PC(34-1) PC 34:1 79199.6680 32268.5055 24541.4649 35205.6462 33983.2872 100279164.8000 102076936.8000 100665051.4000 100439746.7000 103545642.2000 100890356.1000 97495671.1600 101509698 97135263.1200 99718775.6000 102958413 27768836.9100 20368.8505 67210882.7900 57110031.4600 75103058.2600 77296210.1800 50593182.3000 52322037.2200 139926624.2000 146455656.6000 203180560.5000 134920752.9000 154594148.1000 105039155.1000 240035092.6000 162781177.9000 220014725.4000 156263348.1000 151030071.4000 97073555.6300 43772770.5400 77153079.6800 65334547.2400 46623934.0600 54620399.7100 69841179.4900 132659226.3000 141532259.4000 150650867.6000 100891118.9000 119972646.2000 74737143.2800 102481463.4000 169020374.9000 116553141.2000 100425848.3000 173734645.8000 98272078.3800 PC(34-2) PC 34:2 79231.4566 35590.8690 26137.9477 38830.4175 37482.2045 25127414.1300 25326444.5000 24582995.3300 24685017.3600 25474607.6500 25591799.3900 24602220.6800 25334482.2100 24419294.9400 25230948.1700 25555846.8900 817416795.3000 25467.0331 11175268.9700 10383407.1400 8334338.1150 12085598.1800 7893088.8630 6747751.5290 37848530.2100 33783796.9300 38849334.5700 34681230.2900 39879583.1600 28439225.7200 48767775.7900 36609685.3200 39444498.1500 32526568.9200 31517256.6600 26808541.3300 5865432.6910 9929347.8440 9131522.7330 9818592.6090 8190087.1470 7096458.4150 28860876.4300 29365942.3000 26139348.5200 26635778.7700 24302794.3800 3738431.0180 31488630.7000 40928097.0700 31896755.2800 30838189.9100 29993331.0700 27330496.8700 PC(36-2) PC 36:2 63381.2030 28412.7659 19480.8964 31849.4640 30004.2397 109214806.5000 111918574.2000 109592326.7000 104406690.8000 109969846.9000 113018146.3000 111531769.6000 109145930.6000 108896038.2000 108876115.8000 113214552.1000 299962548.3000 24610.9099 380186467.9000 211620662.9000 172394235.3000 311822469.5000 266944072.4000 135225498.4000 81681215.0300 89209254.4600 69471424.7100 79996466.7400 83860523.3400 61202756.2800 80759233.5400 52881020.6500 65299851.1900 55046039.4400 52427959.2100 35328609.9300 158237592 244493099.8000 230911646.4000 257131158.6000 139416870.2000 166334496.4000 42206823.9400 40626419.8600 32425616.8100 37312983.6900 37124721.2900 5211085.9630 42090768.6300 48925359.5600 29521577.3100 42619515.4900 34055064.0700 23009847.6200 PC(36-3) PC 36:3 47394.5498 24228.4202 15296.0547 25347.0371 22571.7399 8132747.5210 12715035.3400 12363947.5500 12639320.4500 11871671.9500 12489130.2400 13355911.0200 12418984.0200 12300559.6400 12454057.1300 12787635.9900 237446544.1000 17844.4914 8134035.9580 6706300.4010 5327287.5510 6593572.9200 4972760.7940 4306660.7820 18569072.9700 15298045.6800 16650737.7900 16546791.5700 17081020.8500 14796936.8700 18656849.3300 15535971.8500 16654072.4300 14412273.0200 13350840.4800 12246088.0200 4724053.8810 8499854.4070 8926963.3710 7483732.3520 3111895.0530 5886299.5630 14073235.5600 13885413.0200 14365748.0100 13613655.8300 12451093.7100 7455041.9560 14974584.6200 20935401.6300 15092316.0500 13858294.2500 16679038.6400 12520367.8000 PC(36-4) PC 36:4 64253.2698 32846.7139 20737.0158 34363.2342 30600.7357 110341925.1000 111720214.4000 109592326.7000 108381842 108842728.4000 114393444 112210681 44751259.9500 108704052.6000 109158010.8000 112514315.9000 229687368.6000 27123.8725 7760205.4820 5935850.9310 194086029 209317341.4000 6535941.4530 2735455.3500 65631502.5700 66342698.4500 87350203.0900 69261929 76245805.3200 47147180.1800 94801580.9900 62361707.6000 75426561.4000 62248474.1500 57711163.6900 40519626.1200 174454571.3000 7961420.3570 8100664.3290 8260287.2330 5875453.7380 5240155.4020 37902675.5900 37421563.1800 39083671.4700 33368437.5600 32051725.5300 16439636.2400 37516224 57108545.8900 33493393.9300 37557995.1600 40364258.5100 25416611.0200 PC(38-6) PC 38:6 46964.5227 30035.2996 19011.0089 34972.3252 34019.6127 640259.4319 12764887.2600 15118001.7200 15997390.6200 15494429.1300 14563320.3300 15561957.2400 373712.9086 14966368.9400 15195171.9600 15028874.7300 105653845.7000 25227.9864 1608815.3040 1483413.5460 2076683.2690 3110336.0280 721635.5307 2118540.5840 10239335.3900 10933635.3200 14572797.7600 11956219.1100 9108262.1120 6750271.1450 14582543.6100 9690275.7040 28332415.3200 22709433.2300 10442802.1100 17153803.3300 2916986.8090 2937395.5570 2915722.7540 4841422.9040 2634795.4430 2290963.4620 13714619.0900 12286253.6800 14867349.3400 20151854.2800 14982512.6500 18203803.1300 14475633.9200 13853742.6200 9559347.0790 8502942.1130 19367193.5600 17209530.9800 PC_718.53369_4.801 71373.4631 25528.5244 19941.8622 27345.6220 25183.5131 4190277.4220 4615602.0670 4471338.6840 4795138.3190 4565717.0260 4522790.4220 4459236.1520 4510776.3530 3878262.4930 4520849.4810 4516783.3870 1220596.1600 24982.9022 694553.0278 571197.3833 1859428.6220 1748029.2380 992920.8362 1272449.0220 8080068.7340 5874664.7490 6031561.5610 6590480.5700 7388621.9390 6587774.0540 6345290.6190 6517856.1070 5423658.1410 5242008.6300 5071512.0830 4328785.4890 255262.2873 981515.9420 574814.0378 486408.1288 741555.1602 1703918.8170 8401215.0390 6335772.5900 6333521.0330 4714028.5520 6796685.5790 4185033.0440 5172342.1360 7914068.4690 3482207.3630 3663692.7240 7466442.5910 4959783.8140 PC_733.55272_4.743 30700.9415 13790.9012 10128.0431 15046.1752 14523.7639 1452218.8230 1467614.5350 1487937.0550 1538228.0550 1506702.6340 1435163.6160 993814.7752 1483010.2480 1537355.1150 1449960.4640 1066013.6770 1329556.1660 13944.9641 58628.9428 29464.4095 18261.1800 64229.0418 26229.4521 19122.1730 1106545.9120 1507326.6680 1430538.9490 951981.0345 1583410.4460 171358.4447 2258835.7930 906533.1186 1668590.0180 969052.6006 1277201.6710 373024.0381 22641.9633 27366.3915 33368.6664 266421.4610 233462.9418 35895.8490 2326965.5550 3815536.6570 3386245.3610 3520888.9010 1190364.8630 1147312.3340 4973151.3270 7431539.2900 6570644.4400 8785215.0930 2629812.5110 2215335.7200 PC_758.56518_4.746 60174.1423 24516.8912 18005.2142 26748.4652 25819.7441 103884421.9000 99786969.7900 107394962.1000 81031264.9800 102168125.8000 100710603 98429471.8300 98863336.5400 101519604.1000 97147069.4700 32023803.4900 80878128.0100 16303.0562 73807659.9500 52859616.4300 79603686.6400 83951382.0100 56651653.9700 62511523.7500 143150024.8000 151211427.8000 189445690.7000 135728700.8000 159775617.2000 106305761.3000 223164018.1000 153511540.9000 170783928.2000 247551.8449 137169595.3000 114555836.5000 44370884.6400 81184498 74386144.9300 56228423.2400 60305871.2200 73753323.1600 134516590.6000 141854065.2000 144120977.8000 102302300.1000 28246298.3900 23324361.3800 101176483.9000 166673187.7000 121196089.4000 100446577.1000 178094386.1000 126726592.7000 PC_775.57292_4.752 74116.6313 30197.5120 22966.3931 32946.1469 31802.2390 392733.5571 586006.3822 480178.1474 523922.0731 500955.9399 499328.0487 542247.8998 320548.4819 287697.6388 500141.9943 514311.3820 1012720.7990 17049.3411 62771.5150 126699.2169 33629.8823 37146.2102 54502.0954 75979.3037 84077.3094 188462.1099 72026.4158 261567.1119 134271.6036 218331.2300 213378.1222 187507.1909 223479.1968 320237.0706 368570.8138 165988.0216 158642.1380 187846.4263 148015.8657 155967.5047 64578.8980 46055.9065 291456.8821 277370.7027 1679183.6850 513348.4155 466530.1164 1892835.6090 324057.9792 44618.7601 142607.2868 63553.6887 480139.9030 147921.0260 PC_782.56559_4.699 68222.0104 33213.8058 20968.7708 34747.2746 30942.7268 12442998.4500 12403221.1600 12396899.7400 12376939.1400 12169647.3600 12608109.2700 11836180.1600 12416860.3300 11864435.3200 12263872.4500 12587839.6300 245307634.2000 23603.7568 8139901.5210 6004591.6050 4787461.3160 6967653.5390 88506.4307 3861863.6760 17991880.1300 15970071.0800 16708811.7700 17106842.1600 17296093.5600 15380585.5800 19344449.3000 15617911.4900 16420758.4800 13849889.7400 13126162.7600 11266893.4600 4312823.1050 7779208.5980 8125917.5350 7504231.2700 5294386.8920 5338710.8720 13900112.7200 14408339.6100 14384560.8600 13920850.4900 12185816.3600 8222401.4220 15336305.8900 20528523.7800 14023049.0400 14179261.0700 17115246.3500 11512271.3700 PC_787.60187_4.715 45984.1263 20025.2428 14133.7172 22857.9433 21768.5794 9019674.4420 9643178.0160 9733693.2380 9483227.2770 9753274.1560 10286912.5400 10549975.1500 9533081.8760 9363689.0790 8659285.8030 10039362.4400 53872677.9400 31895.2701 75141420.1600 14938326.5500 1050823.0830 59837045.3700 57553691.4900 9927159.6430 93831.7813 20766944.0500 1090126.6500 721872.1728 1663235.8270 173092.7967 378866.1839 475234.9749 578308.4744 4268902.2590 262784.2513 197249.0804 345020.8820 17687038.4200 16192094.3700 55529724.4100 9871329.9030 11487190.8800 123027.9958 159684.5109 53495.1965 388881.6073 56008.8078 71163.8921 303902.5667 222495.2244 191832.1022 379919.4469 17999.9425 15666.9162 PC_808.58105_4.645 62625.5416 38417.2072 24316.3836 44732.0014 43513.4167 16156051.0200 17328929.4600 16252059.8500 16303606.0300 16398362.5500 16827365.9000 16146147.9400 16200513.6700 15772244.0500 16474716.8100 15908775.3800 84380173.2000 31999.6239 5454410.4610 4379630.0490 6747203.5000 7248427.1360 4350381.2410 5576939.9020 26408061.0200 24840110.2900 22597711.0100 25810303.1700 27020285.6700 19729007.9900 22671628.6100 21768881.2400 21325238.5900 20401647.3400 19794695.9100 16629176.9400 2563206.9130 5515183.4260 6732486.4430 4351702.1310 5431270.9400 4374591.6570 29748850.5200 19396993.1600 16122840.4900 17756122.6400 26383451.6400 14064959.2000 17768877.7000 20830042.3500 11133202.3100 10536611.7900 20455159.3000 12949334.5200 PC_809.59409_4.639 45722.6740 29241.0980 18508.3146 34047.5774 33120.0568 16203718.9800 17328853.3100 16252059.8500 16300400.7100 16429615.9000 16855326.8600 16156976.6900 16130888.6600 15772433.2900 16484705.7600 15960977.9200 85103126.2100 24530.9499 5501700.2330 4533175.9280 6997124.5480 7326017.8730 4380719.2690 5782695.9480 26620731.4400 25059569.3100 23362781.1700 26035465.4000 27249399.2100 19948967.3800 23197742.7500 22336554.4900 22138053.9900 21073140.4900 20445316.5500 17222139.9100 2668053.4270 5667313.5820 6929494.0260 4379448.8940 5651981.5120 4562152.0870 30048875.0300 20148169.3200 16627206.9200 17952471.5000 26633454.8800 15233108.8200 17902212.6500 21013840.4600 11527806.0500 10627361.8800 21188846.9100 13403120.8700 PC(O-32-1) PC O-32:1 97359.5613 34823.1096 27616.3177 37301.7876 34352.4846 13008084.4300 13064096.4100 13231569.6600 13091093.8600 13404017.9200 13242205.1500 12879939.2300 13208376.2500 12094937.1200 14093108.2700 13149735.0600 2848353.1570 36057.4906 3416378.8650 2131850.8820 3143812.1590 3843916.6310 2652542.0470 2455624.3930 7526416.8690 11300458.3100 8914396.3060 6557183.1370 7680342.1630 7400492.4970 10025069.5000 5711291.5270 7301845.0490 3502389.1520 5020373.7700 3973821.1850 4203921.7470 2558547.9110 11454668.3100 20001141.7100 21427954.0900 3561245.7410 9469732.9020 29312691.1700 21713079.3200 36841503.9900 7837927.3380 23200357.4900 37578390.6400 25781046.0300 32083508.9900 48008968.5500 12408494.7000 25966149.7700 PC(O-34-1) PC O-34:1 88172.8812 31537.2611 25010.4896 33783.7359 31111.0434 11711237.5800 12245703.7900 11769407.3600 11837318.6100 12101827.0700 11792125.4400 11745828.0400 12061374.7000 11093350.2500 11814722.0300 11867406.5100 6556741.5380 41726.7606 13991718.9900 5995777.7580 6976770.7080 11755086.0100 10387367.1700 5282630.1060 12724443.6800 20510105.0200 14427006.4600 13135080.4500 13303883.1300 11843301.2800 16140345.0800 8527969.9660 10402156.6200 9279988.1670 7775961.3130 5678848.6620 9441175.9370 11713683.3600 18097814.4100 28801828.7700 24566523.5300 12058756.3000 12586559.4200 22463485.8300 14160676.8600 24018560.8400 11318786.1700 13280982.3700 22122857 21324546.8300 16309801.3800 27903089.7800 11577095.6400 17067964.7000 PC(O-38-5) PC O-38:5 82394.2107 43018.5376 27228.8212 50089.6714 48725.1336 8104511.6600 8620123.4130 8139270.7750 8192052.9370 8145799.4860 8446687.9870 8111451.0430 8152478.5070 7905515.6870 8176271.0620 8149138.9960 16077805.8600 34065.5348 6099662.0450 4567944.1460 6552898.5030 6198180.3790 4518545.4500 5519822.1720 7970534.7790 9482653.6910 8987500.3940 8353627.1920 7693556.4130 6754200.1690 7701763.6630 7437165.1710 6722142.0850 7885364.3580 6171127.2840 6022583.7210 3213225.3980 8494496.2800 7533714.5020 4632599.9040 7561313.3130 6316949.2980 10127067.9500 12514895.7400 7254329.1430 8633205.2820 8670202.5540 7344490.9700 10112582.5600 11711252.6900 8776279.8060 6332898.8360 10686325.5500 11348234.7000 PHENYLALANINE Phenylalanine 56932.5695 15699.8740 598627.3248 32639.8150 18351.0779 4256534.1060 169003946.6000 165479770 165472871.3000 163259801.4000 165486668.7000 189860909.7000 168666799 160818899.1000 163704769.7000 166633959.5000 1851740.4540 357047837 405391351.5000 111330930.6000 142794690.6000 323172518.2000 353024788.9000 90597621.3100 49642.0790 141305675.4000 73359855.7200 95668042.5100 110791531.4000 100954336.1000 288301822.5000 207991037.3000 263742887.8000 211101152.9000 192092925.9000 112259260.6000 61538344.8100 119511628.2000 86197655.0700 336179738.6000 63299405.1700 97222135.8600 91276699.5900 97901107.0400 50050481.9800 54482707.3900 84149532.2400 46088934.2300 345176184.3000 475371303 165260281.5000 400434655.5000 239297838.6000 109711939.5000 PHOSPHOCREATINE Phosphocreatine 24168.7402 18555.8786 16973.2491 14565.6397 17047.5943 2442064.4210 2541068.7630 2345103.2640 2527465.5730 2555823.1330 2532736.8610 2549400.6650 2645131.0130 2264026.2830 2544892.8300 2572902.9430 9136.8499 11704.3367 3995740.2590 8313359.1460 8569997.1290 8206287.0960 8088705.9660 8758638.8960 4178897.2150 3186216.8850 6321610.9860 6699115.1760 5363992.5090 8376817.0470 7573850.8570 9564161.6410 5880448.8950 18786046.5100 8554154.0340 14061326.8100 77907.1001 432833.1521 307111.7279 62306.8922 329705.3543 214157.0961 153147.7020 74831.4598 303630.2616 159456.9978 125708.7546 108110.4533 143009.7583 171501.8535 124854.2271 59805.8354 134165.3747 212718.5670 PHOSPHORYLCHOLINE Choline phosphate 10744.6552 19094.0270 15347.5170 15164.7581 14298.9644 152831253.2000 157859879 156609617.3000 147774362.8000 153411231.7000 155172938.8000 146417169.7000 153369803.7000 153100528.5000 152860123.6000 141973395.6000 60721.1159 16388.1777 52953005.7600 60939937.1100 65487513.7800 60612246.3600 35114539 47928599.9400 190619078.6000 194277409.5000 279862393.4000 152911250.4000 189685415.4000 166040612.4000 262433184.1000 179716210.3000 257425953.1000 201072974.8000 207492977.8000 110510610.7000 16591915.5400 40152086.9000 30784290.5500 16280940.6700 18277885.9300 37789008.2900 182251932.2000 141144712.7000 166584866.9000 154390813.3000 215679938.2000 229543316.3000 140973884.6000 292755100.7000 181538135.5000 224688131.9000 346060092.4000 150758320.9000 PIPECOLATE Pipecolic acid 1347131.5930 517481.4826 409169.4240 411078.5066 431142.7682 1719374.5290 1521285.5710 1530877.1070 1531219.8520 1511351.2900 1569091.3350 1463233.4290 1411634.8850 1203483.8690 1527247.9770 1509153.1780 60352466.9600 506331.3490 4399449.9260 2770613.0130 1372094.3460 1297900.2530 1145721.1620 812898.9086 634763.9765 1290579.3590 1289121.5470 708122.6653 736110.2470 645880.4305 7500384.7780 3188827.2630 6293932.8930 5900859 4850021.8310 2883240.2000 402070.5581 625459.1310 533667.0201 608105.5274 350089.5037 447563.1575 790251.7993 538364.5868 420606.1789 780442.9971 770626.9398 480187.6095 712208.2793 1077085.3900 492061.9671 923207.4772 925466.6865 724921.3887 PORPHOBILINOGEN Porphobilinogen 28590.3498 7381.0091 5783.7720 6351.7993 7353.0660 73678.0141 91323.4370 71297.8916 78360.0815 73946.8995 81376.8808 76320.9861 56993.0936 78875.8536 45325.9959 75133.9428 50340.1654 16195.9529 30060.4040 11938.1706 61000.1652 51881.5468 20666.1339 9957.2520 30627.9794 100597.8150 39417.1558 85101.3228 138504.2252 20881.5775 60697.8157 37132.5710 48334.2819 12047.3216 39603.2853 7466.2767 15553.3313 22950.0317 13246.2467 49120.5635 13501.9856 58231.8966 82604.5262 17471.8785 12932.7915 46986.1041 15946.6326 31707.9025 18987.3597 79053.1839 23425.9067 81502.7838 55428.8116 5319.9093 PROLINE Proline 3380180.3520 2203110.4790 3850363.9500 1737650.6700 1698935.2860 373303514.5000 381579140.9000 380055806.2000 379874539.6000 380237072.8000 382782289.2000 381635317.1000 370149089.8000 364395747 373196208.1000 382131202.8000 1756279920 122491885.2000 711499335.2000 523567164.9000 462351039.2000 540522369 460794961.6000 260769650.4000 319467103 375385439 300490789.7000 247595444.5000 248637324.7000 234392708 408882777.4000 358513178.9000 373407109.9000 324294276.6000 300918572.5000 169649486.7000 323300577.2000 596262594.2000 555825821.3000 462742851.6000 283651750.2000 424178319 312226394 409769896 287661485.2000 126448714 250365029.2000 167206047.7000 292126427.9000 343602823.1000 185077442.6000 190474392.3000 228515926.2000 59321978.8100 PUTRESCINE Putrescine 315208.1241 13210.0861 13390.8081 13699.1149 67832.7940 5566133.8050 5742282.9570 5410331.1370 5572731.8690 5624382.6260 5639673.5090 5642581.5400 5287048.9250 5598557.2470 5606764.0170 5592653.8240 17512.0446 16898.0170 8855414.2780 6095825.0910 5535541.9560 7160357.6380 8922568.4030 2282945.3300 3642510.2250 6044576.9840 4377757.1330 6793633.7860 6942931.9810 3978290.4730 3489233.3810 2190055.1520 3169818.0060 2512982.8920 2825820.7180 1015349.0970 1206684.1800 1920490.3440 894371.2627 3329832.8110 718301.1998 2651207.5730 1112908.5220 669638.0505 296209.3576 1156787.9040 2187025.5330 1505493.6620 882604.9659 1216848.4670 451081.6104 1027867.0500 1358159.1860 572680.0233 PYROGLUTAMATE or OXOPROLINE 206328.2647 161885.7439 157926.6104 146174.2661 126297.6353 24422602.3100 25133365.7000 20970054.5200 24382261.7500 24293557.5300 23103811.9100 23188268.3400 23471170.4700 23882364 24333755.6500 22317154.0700 50361705.6000 215902.4498 5608861.8920 2892838.6660 1964692.4550 5421570.2880 4184003.8600 1808759.5890 8743385.3690 6193868.0390 15299560.5800 21954365.3900 34178699.2100 7072599.7850 48356264.3700 30280432.0400 32103957.6700 36166625.9300 35494215.3000 8428952.6120 2280133.9810 5317152.5680 1926776.7450 14762333.8100 1631401.9150 3639492.2670 27865488.0600 16409068.7400 13814323.7200 14133351.4900 32163704.0400 2048452.8280 16246988.3800 44192303.7800 19246182.8100 62800918.9400 52548258.9500 6412407.3360 S-ADENOSYLHOMOCYSTEINE S-Adenosylhomocysteine 29873.4374 10348.3605 9323.8760 8681.2149 8500.8783 403861.4098 404241.9217 398928.6449 400006.5303 402270.3414 395925.1352 395393.8267 405844.0278 390176.8691 401138.4359 402381.1176 181752.7088 9914.1979 470883.8130 417035.1990 306389.6499 553015.5573 375992.9772 285778.6818 272356.4819 492397.5281 514433.0955 441032.5713 537379.3420 347656.9104 588037.4290 311037.6296 460628.7932 496677.5421 472534.7251 156368.2088 161468.7815 424901.0706 328329.1820 300066.9457 193596.7722 415686.2047 379535.7662 392826.7857 258080.6034 233453.9308 582005.5262 348212.2239 302209.1110 570590.1961 321177.2260 402772.3338 595185.2298 225566.0012 S-ADENOSYLMETHIONINE S-Adenosylmethionine 9136.6360 12206.5666 12604.6410 11938.7548 12611.2385 1351058.9470 1459008.6930 1327481.1830 1332186.5360 1074460.7590 1394842.7620 1337251.3560 1408580.0460 1344155.1520 1405973.7910 1169210.5120 25928.2861 13434.4691 1376469.8990 999032.1380 1183760.6950 1396199.4960 1034116.3530 624076.7234 2176597.0250 3597509.5420 2043183.5110 1528700.9470 1957403.7780 776170.2852 2251978.0990 1548611.8510 2121253.2160 1350226.5720 1473070.8410 844089.6795 426589.5846 913696.6886 818807.3701 1101038.0590 723348.4435 609127.1947 917468.4631 2381567.3160 1170610.4140 791551.9607 791941.4806 1088117.2890 2708481.7630 3077273.0110 1332045.6270 1859945.1380 1969105.6700 779889.5220 SARCOSINE Sarcosine 1760056.2940 210437.4114 208827.1396 241795.7177 420638.6359 96039321.5800 97911977.2800 97312400.1500 97195048.7600 98409689.9300 98606967.2700 97429751.5400 96401435.0900 89680643.1500 96400404.7900 98264992.9200 445371266.2000 1057192.1950 231700681.5000 125913821.6000 110919770.2000 200152179.5000 147835162.8000 56332348.9100 96197643.8700 134590392.2000 87660952.7000 71960798.1800 86959425.5700 56090154.2700 136907297.3000 94101519.2500 133438187.3000 86305190.0500 87073543.9000 41364638.7200 61070015.8700 132769857.7000 93053470.6700 157793616.4000 61437357.7700 98805790.2600 37932274.1100 35438060.2200 21884151.7700 24063039.3000 40333566.8100 17936773.9900 56266148.2900 123872101 39000769.3900 67054100.4700 66908072.5600 18995350.1200 SERINE Serine 6633.4967 15212.6501 104187.4643 7197.4562 8368.0970 48347485.3200 48434333.5400 48824374.0300 48467547.6700 48946028.9000 48465589.6700 48836201.2100 48469274.8000 45459302.4000 48468411.2400 49248779.3900 121567262.8000 9860142.0070 63873950.5000 48965385.0300 47572818.2100 69600846.7500 47994171.3400 24256362.5000 25444323.6200 34748858.7000 30982238.7100 33149448.7200 46151621.0800 24441062.6800 56005154.9500 41964605.4300 49038344.5400 49351927.6200 60421874.5900 18045793.3300 25462311.8000 57040792.6500 42649357.6300 64136350.0700 29314991.5400 48172230.4000 44180705.5500 43882027.2700 29154266.5900 29041763.9200 61619683.6900 36503524.7700 62880558.8700 106920942.6000 50506657.1300 72536578.1500 92792834.6900 26608098.6200 SEROTONIN Serotonin 27098.8488 6219.5141 6375.9235 6119.5146 7096.5596 353486.4371 361594.0765 340019.2743 354729.4314 352645.9347 258770.5181 200666.9022 350432.9871 351539.4609 353449.1774 349451.4709 159602.8631 14742.3365 41805.2991 56854.1197 41286.7785 960103.9624 335951.6466 25330.5390 33993.3166 985042.3243 418209.9330 599391.1581 272632.3526 91990.4629 806197.3794 552598.9551 650615.5734 163572.8892 268045.3989 260482.6248 136660.2199 312317.2811 25309.7474 580306.1122 45254.8197 298762.1479 32749.0111 371778.6694 39276.5111 53922.4344 239791.7404 379549.8379 841812.5421 665045.8854 305223.3778 587227.1709 569562.7020 410327.0137 SM(d34-1) 52820.9765 18551.5770 13587.4251 17556.4706 18397.4119 27997989.1500 29945630.8900 29395123.4600 29837877.2800 30329708.2100 29918556.7400 29533497.8400 29334946.3400 23928010.3400 29725694.2400 29685687.5600 76552783.4100 16064.0273 26133352.9800 19031940.2400 30579125.2400 28277404.5300 19956539.8300 20847705.6200 32631974.3500 33632112.3000 29605523.2500 28577527.5600 31369649.3200 30851526.1900 33334544.3000 28917476.2200 27669517.6900 25586268.8400 26219921.2000 22339433.5000 14216333.8500 29828950.6700 28464082.6100 20576444.1500 26422611.9800 26300209.5900 28698780.5200 29705143.0300 25199310.0600 23529540.4000 29199108.7700 25959482.7100 31171680.5000 36402163.3200 20494926.6700 22125387.0600 29703357.6000 24470384.2000 TAURINE Taurine 148004.6597 182429.9251 52337.5690 184943.5472 39008.2833 99741960.3300 100011792.4000 100457073.7000 102251385.2000 100140064.6000 99168046.7200 101188330.2000 100774082.8000 85460751.9800 104424347.1000 102509340.3000 44912763.9200 160519.5275 252560355.1000 153318359.2000 148206826.2000 355136082 217042975.9000 105355384.7000 249231826.1000 201782405.1000 133660326.6000 171653172.4000 251630884 171510156.5000 127500672.6000 108880865.7000 116359920.5000 115244818.3000 133246800.5000 73205116.0100 25314483.4100 88134725.3300 69277251.6500 78355297.1900 36417707.2800 72654306.8500 82068558.7100 49002741.2600 42980432.4900 36498043.3400 76650234.2000 21992008.7200 69585705.9200 108616119.9000 25571096.7600 31432387.9100 55228519.8700 21968096.0800 Thiamine_12.248 Thiamine 179395.2235 16533.3603 16574.5564 17547.3295 15990.7849 19315105.1600 18997456.1500 18744321.4500 18364514.7400 18757350.1700 17858155.9400 12610035.1200 19882059.9800 18459348.0500 18560932.4500 14310483.1000 92136.8889 22198.2044 6146502.4570 6792056.4210 37888734.1200 22685675.8800 7495405.2540 37997969.1700 130430367.1000 22029700.1800 13465613.8200 37015243.8400 78562061.3000 75017754.7400 14570630.7900 38575658.5700 11652125.6000 14955407.2300 20634793.2700 32568024.7200 675331.8318 2947861.9710 17241466.8900 1583946.4330 338288.6410 1868922.4790 1863374.0810 1441918.9870 399568.6847 156423.1921 2692641.7120 810502.9045 10688007.7000 11945863.4400 3382241.5020 4430454.4220 6216181.1170 3753620.9140 THREONINE or HOMOSERINE or ALLOTHREONINE 16713.1812 147317.6013 280184.8732 12008.5267 36441.6985 92137122.2500 94584704.3600 93490570.4400 94758924.1300 93568994.1900 92505998.8800 94445797.1100 93412146.6900 81424477.7700 93136368.1300 94434612.8600 424528090.2000 74905553 300104940.9000 82387952.7500 64060335.8900 253456443.5000 186662062.6000 42749186.8100 48784290.0400 75219328.7900 20487827.7200 45900787.4200 59487288.2700 46458906.7300 138486186.5000 77736441.0100 130284528.4000 86927762.3300 90703177.2700 46083107.2400 47150660.8800 96165019.1300 76514856.5100 231424335.3000 52438536.2800 76904158.8100 66891269.6000 69831799.3200 21980509.7100 47026559.1600 75251157.3100 18620274.3300 325334856.1000 529926522.5000 105641117 315220506.8000 166476738.4000 63555639.1900 TRYPTOPHAN Tryptophan 59611.4940 13279.9773 58303.0497 11921.8919 13549.7636 31999796.7100 33624061.8600 32612708.3000 33933864.7400 34116939.1800 33616865.4200 32873224.9600 33631258.3000 30201813.7100 33882832.7800 34563068.9600 608850061.5000 13544.9172 43862682.0900 25673489.3100 30332018.1800 52050388.6300 37880466.8200 19590224.9800 20499765.3900 27081965.9300 17508831.4900 19034560.8400 22332447.3100 18332955.2900 64678888.2900 42753829.6200 54155109.8000 523252.4133 36481062.7800 22306267.2100 12362419.0600 24335710.9900 18105145.8500 32484024.1600 13083494.0400 21674336.0400 15023441.2100 14777268.9500 10608886.9700 9873697.3710 16075471.2100 10632279.9000 49822906.5900 75314845.0200 31116481.9800 53491758.5000 51779008.1700 19637185.6500 TYROSINE Tyrosine 45796.8968 12248.9162 374710.5218 10353.9429 27623.5882 130401590.8000 140928720.7000 137622116.5000 137507713.9000 138265590.4000 137372726.2000 137700579.1000 134629089.6000 112772234.9000 137440220.1000 137049308.5000 1220250504 145393238.1000 190829854.3000 99573878.8700 109430863.1000 185537426.5000 149952509.7000 70836466.5400 79945453.6800 11972233.6900 72871758.3200 89170948.7700 106093080.6000 69265196.5800 290088216 201012928.2000 252033432.8000 172262016.2000 181253544.1000 85621612.3800 53994130.1200 91562477.9600 76037047 157781931.4000 56430282.5200 77715903 76123020.1300 89298829.4100 52658577.1400 48188454.8100 85759707.5000 42112636.6300 258487082.7000 382401907 168779647.7000 284889221.8000 242829129.6000 76764080.9500 VALINE or NORVALINE 3757915.0270 9886163.4630 10220779.0700 8897142.6230 8736857.5830 130507165.3000 134765351.3000 133348894.7000 133564541.1000 134822878.6000 134585148.6000 133133248.2000 132991348.9000 127415747.8000 132386647.8000 133505901.3000 1763586748 122325068.3000 207955637.7000 116696966.8000 129501444 209978263.6000 180058509.7000 92463023.4900 90778621.3100 118859604.9000 69814875.8400 85041455.4900 100419221.9000 79136363.7300 282128277.3000 194617110 259397923.7000 187922046.5000 182322886.9000 102746340.1000 72916163.3500 125391960.6000 93665486.1400 182031010.4000 69095587.1400 100116534.5000 87123511.3500 99875938.0700 61607202.0500 59883652 96592130.4300 51104703.5500 306454596.4000 450677671.6000 189012032.5000 302135744.5000 269016119.6000 106016513.3000 XANTHINE Xanthine 46879.8884 23461.8146 16765.8821 24081.2483 22425.6776 199296.6674 121092.7523 237887.6594 270896.6235 186189.8880 231770.2764 189915.2771 267760.3769 215533.4719 205384.4655 239519.8445 13532119.1700 39783.4407 897331.5870 451557.9959 319839.8605 1111296.9360 225425.4101 121699.2379 217918.0075 186416.5389 376780.3923 738379.0450 751611.4806 87603.1447 303087.3478 377404.0508 212859.0156 242509.0060 323488.5959 19836.6011 260403.3567 540849.0714 110593.4096 898532.3415 180013.2354 420053.2847 433180.2335 89791.7426 157980.4288 146968.6836 227684.0108 53601.2593 60902.0631 731517.2158 100451.4770 721604.6434 252678.1198 25041.9006 XANTHOSINE Xanthosine 46047.3869 15317.0826 11119.8733 13148.2886 14400.5642 37267.2908 32950.0022 36142.5115 28002.4668 35017.7323 37756.7872 33843.4109 41861.7322 31001.2817 36927.4422 39402.1410 122854.0158 10522.2063 25969.0587 21588.9205 365147.0144 217128.6374 71452.9295 165043.0671 132551.4965 14225.3414 36105.3219 10936.6979 89767.1173 28102.4548 37347.5092 248073.0322 28740.3651 49357.5602 30155.9511 89147.8361 9959.8864 114167.2939 28979.3364 29709.5259 10323.4019 76779.9922 21924.9833 12682.1906 8325.4843 17889.4648 15882.6165 21141.2186 62052.5886 100796.1960 17728.8485 54019.0257 127277.4468 22101.1276