Metabolite_name RefMet_name CaOV3_Parent_1 CaOV3_Parent_2 CaOV3_Parent_3 CaOV3_CBPR_1 CaOV3_CBPR_2 CaOV3_CBPR_3 DMEM_IST_1 DMEM_IST_2 RPMI_IST_1 RPMI_IST_2 Blank_1 Blank_2 Blank_3 OVCAR5_Parent_1 OVCAR5_Parent_2 OVCAR5_Parent_3 OVCAR5_CBPR_1 OVCAR5_CBPR_2 OVCAR5_CBPR_3 QC_ov_1 QC_ov_2 QC_ov_3
Factors - conditions:CaOV3 cell line conditions:CaOV3 cell line conditions:CaOV3 cell line conditions:CaOV3 cell line CBPR mutation conditions:CaOV3 cell line CBPR mutation conditions:CaOV3 cell line CBPR mutation conditions:culture media for CaOV3 conditions:culture media for CaOV3 conditions:culture media for OVCAR5 conditions:culture media for OVCAR5 conditions:Extraction blank conditions:Extraction blank conditions:Extraction blank conditions:OVCAR5_cell line conditions:OVCAR5_cell line conditions:OVCAR5_cell line conditions:OVCAR5 cell line CBPR mutation conditions:OVCAR5 cell line CBPR mutation conditions:OVCAR5 cell line CBPR mutation conditions:pooled QC conditions:pooled QC conditions:pooled QC
1-(1_2_3_4_5-Pentahydroxypent-1-yl)-1_2_3_4-tetrahydro-beta-carboline-3-carboxylate 9324999.6880 8085586.2600 18439059.9700 2040994.7040 908558.7435 649944.1351 613063.9009
1_2-dioctanoyl-1_2_6-hexanetriol 200259900.1000 198505440.4000 184076891.9000 247767605.3000 197476496 193059881.1000 8858559.1660 9209506.2020 460966579.1000 464603452.5000 215032366.6000 180065485 182129360.8000 251284918.5000 219858576.2000 194936762.3000 203328444.9000 206671903.6000 204920907.8000
1_2-dioctanoyl-1-amino-2_3-propanediol 10078374.3000 9282113.8260 7958060.0900 5984735.3980 7834642.4800 9015484.7270 3048388.5180 2919540.3290 3750944.0710
1_6_8-trimethylallantoate 7653831.6220 7650016.4860 8023286.2420 6820335.1700 4528481.8780 4989503.0050 16313410.6800 16779538.9700 17853602.3000 18507224.8900 7199606.2150 7960138.6080 8351746.7380 10827876.5100 8879710.6380 7401800.8240 5915938.2920 5770670.0600 5868425.9550
1_8-Diazacyclotetradecane-2_9-dione 1,8-Diazacyclotetradecane-2,9-dione 288052950.7000 332847792 329576889.4000 438639181.6000 445149881.3000 436428499.3000 534919290.4000 589223187.1000 793320036.5000 724175882.5000 238574296.3000 234768082.9000 232654369.6000 548265200.2000 654666581.3000 502263933.8000 483533202.3000 452197909.4000 484637707.7000 364443001.3000 353674897.2000 412123903.3000
1-Isothiocyanato-7-(methylsulfinyl)heptane 8645568.4120 9860197.2460 8528703.3300 7587860.2160 4590745.0590 4987523.1440 15283284.3600 17377525.3600 19445185.9900 17436647.7300 9549656.3800 10838169.5100 9591927.9420 13456536.1000 11674279.8900 9933047.4760 7904657.9240 6810589.3840 6033994.9340
1-Methylhistidine 1-Methylhistidine 29038144.7500 47962634.2600 52389420.4300 45792581.8300 26882773.1300 77798271.8900 21944733.5800 75892197.9700 16739182.1200 24965132.6200 1868130.8880 1562831.7550 16562479.9800 17509622.6000 21128148.2200 15702012.6400 14106197.9400 17064877.4300 13339411.3800 17210086.9600 47458157.7800
20-hydroxy-fusarin 80612497.2200 86153149.5800
2_2_4_4_-Tetramethyl-6-(1-oxopropyl)-1_3_5-cyclohexanetrione 2594035.2670 2613028.3830 2276947.2800 2429295.2340 2448860.6620 2310677.8710 2386169.6330 3041051.6470 2142324.6730 1452644.4320 3796601.8130 4160002.9900 3533800.8030 2293434.2570 2272996.6250 2592562.4640 2386918.8900 2187794.5750 2332548.1910 2782147.0500 2733946.8900 2438639.8210
2_3-Diaminosalicylic acid 2,3-Diaminosalicylic acid 448949.8790 542819.6618 371424.9844 521362.1170 568494.5435 621794.9805 584040.0528 560193.0230 429057.9750 503811.1222 478690.1396 487339.7286 366299.7280 450730.8676
2-{4-[-1_2-diphenylbut-1-en-1-yl]phenoxy}acetic acid 837383.3123 1919345.9000 684662.2023 1824580.3760 1057793.6290 1783368.2760 2269508.7330 2591529.7870 3045312.9380 3861947.9750 1103172.8430 1621034.2830 1706381.3920 1377358.9650 1144106.9030 1304004.5770 1490805.6320 1034342.8590
2_5_6-Trihydroxy-5_6-dihydroquinoline 110965.0108 133791.4124 103831.2331 22469583.5100 27226684.6700 26554779.1900 28554626.0700 27607822.2400 23283008.0800 9648628.8640 9974078.1010 10365747.7600
2-Aceto-2-hydroxybutanoic acid 2489428793 2446580221 2473542402 1691509855 2381150497 2112072317 47397583.6800 44249550.4700 2747290021 2605455455 9939407.9260 23579833.8000 15512652.3000 1858340616 1651506134 1394844258 1614358720 1556704609 1381679283 1703608409 1691579497 1762416915
2-Amino-5-(methylthio)pentanoic acid Homomethionine 2593954.8140 2611391.2680 2362156.5390 2358481.7680 1933288.2280 1828605.7120 1540048.2450 2283261.9320 1441823.8020 1518362.3380 939546.5903 849327.8526 952089.3756 1283816.6660 1187189.3890 801844.1214 1400693.5230 1279561.2890 1500647.5940
2-Aminoheptanoate 2-Aminoheptanoic acid 229660651.2000 174803959.3000 186182151.7000 185145312.4000 220721181.7000 231257464.8000 8795602.9830 8277789.8380 9185744.7960 7895368.5670 1714629.7360 1800679.3080 1806883.6630 76576893.1200 74906401.4100 65613448.7300 29791637.8800 45291286.2200 60233243.5300 145457189.6000 154127339.4000 151858946.8000
2-Diethylaminoethanol 10892414.6500 6813522.0890 6232340.4310 3495896.8910 3623328.1060 6186433.2360 2257513.6960 2788852.2420 5382500.2410 5426497.3070 1296330.3460 352114.7152 1989284.1740 2890789.3390 2068706.3350 2024511.2300 4342958.1120 4114646.0050 4092326.3340
2-Heptenal 2-Heptenal 458842.0042 457495.0354 2293038.9230 2111121.2870 6405677.4890 3791084.9660
2-hydroxysuccinamate 5101139.8460 4069693.9130 3955491.7140 3263366.6330 5375603.4190 5717123.2000 8931221.5080 158082991.9000 175514161.4000 163754055.9000 5485377.2690 9704476.4720 10052035.3700 15555233.1400 16708188.9800 15716899.7700 7608747.4510 8757374.5330 8567103.7210
2-Hydroxyundecanoate 6539645314 6697562417 6206667358 6648204898 7741996937 7227435583 203082297.1000 227046245 10714741810 12459760494 5883811.2310 15323027.5400 17280978.8200 7736922333 5039266445 6062404073 7033895101 7369748659 5891737792 5633223213 5837046257 4845734800
2-methylaminoacrylate 9543867.7820 4837710.7280 7624906.8450 2600674.8650 2932565.0110 3017445.3200 7835896.7260 9407723.0570 20737643.9300 19224953.8100 4525223.2440 8047336.0330 7535506.5740 10171100.9500 12956071.4100 10616022.0700 9571088.0490 10639038.8900 8852755.4940
2-Methylbutyroylcarnitine CAR 4:0;2Me 358262368.9000 294614977.3000 298171782.2000 373757930.1000 451228740.7000 466356474.3000 5512167.3200 4519623.1730 3784365.1660 4800748.9320 166508203.2000 169092884.2000 149333271.3000 68690331.6100 97483816.5500 139802019.2000 223088565.8000 228318650 190476375.7000
2-O-Methylcytosine 2-O-Methylcytosine 16117302.0200 17924885.6000 16219659.6400 16398038.3200 14536649.1500 14754409.3300 566641.7062 900749.3592 486598.7274 6870663.9670 6320887.2200 7292823.3800
2-oxohexa-4_5-cyclopropyl-5-enoate 39271504.4700 40731822.7500 39695887.6700 55337954.9700 33559666.5100 37371536.3900 3093997.3830 5555583.0030 3854471.7280 3717623.7330 4445306.5660 3801046.2700 15549421.4000 15254540.3600 12699816.5700
3_4-Dehydrothiomorpholine-3-carboxylate 2121915.4410 3399034.3670 2527613.8480 4089613.7220 8896760.0360 11222604.4600 3451863.9080 8295194.8330 3140843.2170 10397807.0500 1451626.3310 10232934.7200 5201822.4210 4749334.8270 5241102.0850
3_4-dichloro-tridecanoic acid 7668588.3500 3150626.1780 10344978.6900 651161.5928 545472.7681 456106.2626 1154594.8740 1005294.9240 803360.0034 550020.1267 654505.1794 1009912.7620 832912.9867
3_4-Dimethyl-5-pentyl-2-furanundecanoic acid 7117989.8770 7259996.5340 7509293.0780 4697266.5070 5468469.2060 5678451.0180 8599920.3310 7766460.0750 5045228.8180 4059555.9830 4600290.7980 5147655.7380 4376603.4050 4059217.1730 4577913.3470 4476328.8350 4513081.1130
3_5-dibromocatechol 2869451.9650 432000.5274 12086097.3500
3-Aminobenzenesulfonate 696583.0963 759614.7872 762340.3406 1286783.3400 1892779.5110 2857402.4390 17234355.8900 16925241.9700 15996336.0200 19599478.7200 13625485.1600 28032140.0600 8111804.5790 8003843.5060 8102036.8050
3b_12a-Dihydroxy-5a-cholanoic acid 1113644.4260 1001770.0390 1000824.7440 930699.8321 908646.5634 877482.3512 138564073.3000 147470799 2281097.3000 1550652.9500 28642291.4600 3273164.9320 12448551.5700 4185431.1390 4009338.5260 3899685.8740 4404867.1600
3-(Cystein-S-yl)acetaminophen 3-(Cystein-S-yl)acetaminophen 790230.2279 869917.3724 11012302.7800 23713823.0200 32556712.8800 5456069.9670 8827001.4380 7531369.7040 4261493.1680 4444345.8340 4800056.1020 3157580.0630 8265046.3130 16969881.6000
3-Hydroxy-N6_N6_N6-trimethyl-L-lysine 3-Hydroxy-N6,N6,N6-trimethyl-lysine 7677948.9120 6005778.2350 5474625.8210 5927098.7810 7616586.7530 7511929.6790 2027777.8980 1856876.3310 1493412.9640 279054.6629 509862.1249 1048293.1340 3625480.9510 3476089.6240 3592916.0610
3-hydroxypyridine 3-Hydroxypyridine 3104603.0110 3703638.4080 3633189.8770 4009646.4150 3073796.8770 3127303.9790 952981.1738 888551.3002 990410.8895 835196.7319 2084974.4450 2587588.2760 2189051.4950 1025195.1580 824494.8184 871028.7445 881558.5182 915600.7703 777976.6673 1565975.7800 1314826.5010 1604178.0270
3-Indoleglycolaldehyde 15451779.2100 17316317.2200 15403522.4000 23558724.4900 17512232.1700 17720940.7600 56451579.3400 62816134.5600 46693463.0200 48959264.2800 9739069.0350 13473476.1400 10599102.8000 14309029.3100 10249962.8700 11680242.7500 15809807.3800 18432449.2000 18332375.7900
3-(methylsulfanyl)acryloate 3922603.8100 3100882.9050 3558020.4240 2339134.3850 2144449.7470 2261860.5650 3119067.1840 2883405.6920 2822348.4660 2761097.5260 3682608.3240 4919041.9740 4371063.7240 3075066.2720 3550857.8770 3059684.4470 3875787.8020 3588499.6370 4014592.6630
3-nitro-2-pentanol 1578342.3980 1284426.2180 1687524.5710 676982.6804 1029011.1650 903639.2049 969366.1205 863870.2218 703587.6279 725045.2178 839740.3080 838808.8013 829555.7157 673011.6226 696281.7325 772438.2802 1125001.1690 1351943.3660 1253929.0850
3-Oxooctadecanoic acid 5001977.1570 5777422.6820 4642462.8660 4476346.1570 5831770.8330 5350485.2540 5583790.1090 6222000.1610 6873458.6730 7809645.3740 4053870.7350 3570020.8440 3508536.9640 3169679.0300 2927679.0410 3108013.5400 3500351.4300 4247455.8000 3724800.2450
{4-[3-(5-hydroxy-2_2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 6751357.6480 6198262.0640 6045773.1330
4beta-Hydroxyobovatachromene 3136769.6190 2261456.4180 3099471.4830 469561.7178 670324.6123 646746.0659 1203661.2610 948272.6677 915034.8260
4-Guanidinobutanoic acid 4-Guanidinobutanoic acid 38353013.3400 23777594.3800 25936620.4200 21789220.3900 27636705.5800 32308155.7200 19286410.0300 19520721.9800 20004320.0100 20002311.8400 80544046.1900 86634988.5700 68329219.6400 30243980.4100 37850655.1800 40522805.1700 46755719.5800 45060405.5600 43522944.9900
4-Hydroxyglutamate semialdehyde 7342857.6920 5337369.6790 5238419.5170 4000896.4900 3309427.8230 3631331.9780 492627.3337 614209.8615 573177.7688 638390.6923 665123.9350 698522.6731 770968.5423 716804.2663 748838.7734 7114453.3060 5909044.6210 5957742.3130
4-Imidazolone-5-propionic acid 4-Imidazolone-5-propionic acid 994373.1677 1264441.7820 1006069.6960 1498152.1670 2106349.1990 2070426.3180 704876.1543 863489.6045 512119.8409 447231.9240 12568259.9000 13600755.5800 11762235.7100 1341473.9480 1395673.0560 1613058.4690 5934559.1350 6375762.1590 6316820.7340
4-Nitroaniline 4-Nitroaniline 1749473.3590 3270981.6170 2408220.8350 2075267.6280 2040105.6890 2418940.0750 3268100.5820 3196681.3180 3086555.4410 2546205.9240 2292315.8160 2690151.4090 2182326.6130 2777473.8320 1317651.7270 1804908.2520 1919255.3500 1286347.6790 1835668.4590 2063017.4950 1959490.8290 1730066.8810
4-Oxoproline 4-Oxo-proline 2307006752 2492820351 2427048766 2108892366 2044500529 2044621040 1737614162 1773982209 1796649680 1793464914 1795391.1510 2781112.4310 2022336.7240 1660047943 1932815018 1874016843 2106651529 1914819007 1696894661 1423047729 1450274019 1453393449
5_7-Dihydroxyflavone 7-benzoate 9404826.7700 3779689.4640 7260605.8360 1981620.7120 2251717.3140 2091523.9670 2442242.5240 1989296.3100 2064199.6070 2365842.9160
5-Acetamidovalerate 5-Acetamidovaleric acid 2882550.1650 2920416.0870 2638080.1970 4217063.1340 5241901.1380 5381454.4600 793842.1605 737228.1450 751262.4779 770065.9455 1913217.3680 2005326.6330 1517764.8940 1741100.9100 1970862.2060 1884923.4140 1123774.8530 1188240.5320 1610442.2860 2755896.4300 2813580.9360 3626683.4320
(5^-(but-3-en-1-yn-1-yl)-[2_2^-bithiophen]-5-yl)methyl acetate 2079604.7130 2346520.4150 2217924.8940
5-guanidino-3-methyl-2-oxo-pentanoate 21704613.6100 18325373.6100 22176666.3600 6588046.9390 5385562.6110 4480881.0130 2589590.8510 2624592.7590 4065008.5740 4720747.7510 1083957.0410 1165863.5100 1365869.0670
5-Methylcytosine 5-Methylcytosine 807557.9836 718037.0589 899664.4379 848814.4950 629230.2187 616329.9545 1568647.4000 1760516.8850 1912132.1800 2265617.7280 937699.8348 959679.4866 1022917.5560
5^-Methylthioadenosine 5'-Methylthioadenosine 27080490.4300 31435534.9800 37561176.1000 47671602.2400 38943300.2900 44164870.5900 625272795 633316485.8000 665017673.1000 613027518 648986568.3000 618032760.2000 190106348 195742223.3000 204564755.9000
6_11-dihydroxy-3-(hydroxymethyl)-7-(3_4_5-trihydroxyphenyl)-2_8-dioxatricyclo[7.3.1.0_]trideca-1_3_5(13)_6_9_11-hexaen-2-ylium 41178746.7900 32131523.2900 45414862.7000 19977446.5500 18839583.3200 19542526.5000 13570547.8500 12332563.9000 18116888.3800 17703113.4600 8802833.7840 9429797.1600 9814410.8640 10042727.5400 11471520.1100 13093213.5200 18748288.3900 22704712.0600 19261978.1900
6_9_12_15_18_21-Tetracosahexaynoic acid 963642.3552 1476348.6900 657491.7583 2312469.8400 1399240.1330 1860915.4640 1929356.2530 1584254.0110 2074719.3230 1855189.4270 1493363.4980 1468255.6270 1897936.2470 1996031.1510 1350633.9560 1819176.7340 1182566.9640 1503012.4130 1481869.7750
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone 3477184.7480 2587554.3720 2889899.9340 2565451.6150 3425208.4200 3216319.0650 13136248.3300 12316094.2600 12031837.4300 12572758.1400 17323717.5200 14382695.3600 15102839.3700 15602766.5000 13126997.2100 14653916.9000 5406153.4480 6267876.3170 5814594.7080
8-Oxocoformycin 4364835.0830 4553015.3180 4079817.6160 4542306.3800 4465798.1720 4274623.7210 3595624.1180 3335295.6310 3767080.5980 3769316.4570 3039066.1980 3832083.6490 3640320.1050 3155067.3060 3748861.0160 3203693.6570 2592772.3210 2792279.6480 3616235.9580
9^-Carboxy-alpha-chromanol 112801264.8000 126837741.6000 113672070.5000 128185403 134747341.1000 148494177 79997135.8800 77854846.3400 69251994.5400 72350346.9500 6836858.7710 8433354.4990 7387323.1990 201269680.1000 167841612.3000 200659052.3000 126774928 133590711.3000 155824140.3000 129498848.5000 119637498.7000 116987260.9000
Acetylcarnitine CAR 2:0 188776944.3000 183578453.3000 167929972 201195659.4000 278193123.2000 281341720.4000 15751369.0300 15874116.3600 16123051.2400 19572298.5300 568038159.9000 417679826.2000 357190742.6000 120688060.2000 207549581.3000 271764221.8000 240259022.7000 241314886.9000 242976742.8000
Acetylcarnosine 934777.9929 478220.6767 985056.5047 6139872.5090 9640479.0480 9209705.1470 9590202.8700 1311531.9450 1215617.4640 1930869.2830 1440172.0590 1315744.5440 659405.3303 774378.5981
Adenine Adenine 8933354.0650 10583624.8500 8701288.6480 5606961.6590 8364682.2720 8493332.5400 877110.0313 1039416.1450 1137093.2310 1229962.2990 1473612.5750 8318753.0920 6748362.9690 3456172.1210 3864333.0870 4411887.9220 4264586.6720 4661653.2070 4549588.9400 5251601.4750
Adenosine Adenosine 7524425.6240 4530257.7440 5491353.9800 478090.7464 6643453.9390 5998553.7490 1907258.7330 1531713.5950 10804701.6900 8936004.4290 5583200.1180 3829610.9070 6114816.7510 4993948.5120 7549247.0480 7655017.5300 8106861.3580
Adenosine triphosphate ATP 473120.9817 996206.6048 337356.6428 810597.6041 405740.9784 1306198.8760 2458112.7920 538836.4678 2723967.4940 413847.4311 4632976.4230 2061720.5120 2286536.0340 2464935.7180
Adrenochrome o-semiquinone 736849873.3000 579313313.5000 637380426 239134356.4000 289718091 267190553.6000 256958171.9000 351762747.8000 411707451.6000 395449707.1000 136526667 231847661.5000 228448593 215813665.1000 217975287.5000 224963437.2000 555734065.9000 568751942.2000 540564627.4000
Ala/Asn/Ser Ala-Asn-Ser 1297044.3500 880415.5064 855972.6110 620499.0405 567109.3734 592082.1623 1205080.7800 827626.4326 864831.1842 630825.0732 506768.0927 444316.9325 529663.9281 843041.8900 935126.8666 764686.1564 687672.3830 636132.6537
Ala/Asp/Asp/Asp/Glu
Ala/Cys/Ser/Thr/Thr
Ala/Glu/Glu/His/Arg 1958663.3270 1504255.8200 1519202.1360 1544040.7720 1112671.9100 1187218.7310 530983.4038 372528.1901 470427.7002
Ala/Met/Pro/Tyr 10177614.7100 12008442.8700 12057298.2300 9125334.2730 6272182.9400 7354328.2590 11840138.3400 11397777.1200 8298349.5090 8152794.4870 4027929.8190 6325537.9820 5788096.4420 7798942.4990 7462828.1350 6422461.5100 5341874.0620 4928600.8860 5728144.3840
Alanine Alanine 52992285.3800 27346556.5700 37114407.5500 16085084.4100 20057656.2200 23623875.9900 16304722.6800 39278813.6700 41666748.4400 40970600.4000 69511427.9000 106242099.2000 109456113.7000 21665579.7400 30768510.6900 49147508.6200 61365416.4500 59553016.4300 64139179.4100
Alanyl-Serine Ala-Ser 923517.2818 827561.8194 869595.8818 759506.6871 625181.3877 800816.3438 3801072.6470 3849386.4710 4764339.1460 4022887.4620 1511903.4280 1937497.3090 1900704.7230 2973171.3910 2335824.3990 1789101.7750 1114207.5640 1273103.5380 1395908.8760
Ala/Phe/Lys/Arg/Arg 603650.7504 538061.9154 734472.4417 440860.0638 1148966.3030 1441246.5300 1729828.2560 1252128.4430 1142586.1800 1011094.2550 1396262.2700 1015622.6790
Ala/Thr/Ser/Tyr 6663567.2860 9037570.3920 12150128.9500 1583856.7620
Allysine Allysine 18360925.8600 20660480.4300 18819061.4200 22494367.1300 20724146.6300 23214578.1700 20972340.6200 22954706.5000 22709784.0200 24482751.1300 2434972.0320 2582187.3800 2768658.9760 15623134.8900 20701624.5400 17740762.9000 18919217.6800 18657157.5700 17330030.8200 16231472.0600 16868684.6300 15848158.8200
Aminoadipic acid Aminoadipic acid 5754639.5250 2508527.7060 4382910.6110 3409155.8290 3402694.1880 3714237.7920 868314.7809 1546591.3110 1745934.8020 1822846.2070 583788.0269 449892.0405 849025.9058 1411737.0110 833798.4979 15524422.9100 18488435.2700 17461297.5500
aminocaproamide 745375.9125 952996.5199 864118.4911 1069293.2240 1125883.9760 4901916.0410 1963485.1240 309604.1218 120003.3914 24607353.0400 25862320.9800 26011112.6800
Arbutin Arbutin 20918984.6600 22966262.8100 20372661.5200 19792260.7600 15050482.3800 15831737.9800 23991621.7600 22647873.1700 31979979.4200 27993535.5300 11700578.3600 16811103.8700 17450359.0100 23286536.7200 18100010.8300 15674865.9800 14835351.7600 14661239.5600 14629385.7700
Arginine Arginine 397667000.3000 436451862.2000 438021977.8000 406060227.2000 334604555.9000 325603634.9000 854874529.2000 935773368.2000 980642221.8000 925061078.2000 1376992.1610 1148874.2800 1307215.7440 487625792.5000 528173341.9000 550000782.6000 626822048.9000 600316669.2000 531302747.9000 383543214 376268713.3000 379149492.1000
Arg-OEt Ethyl arginate 62538513.3400 66357501.9700 58819994.6700 65439665.1500 55225123.5000 60985401.6300 23348724.8000 20890326.4800 27754602.6300 24799585.6000 31163807.4200 46699826.1400 31355799.7400 26848233.0400 27515114.0800 25957105.8600 41571312.0900 37624436.0400 38889778.6300
Arg/Thr/Pro/Pro 1416353.7110 2475247.4080 3045754.5630 713024.9074
Aspartyl-L-proline Asp-Pro 1923360.8460 1121392.0140 1007561.4290 688562.2775 408438.4580
Asp/Gly/His/Pro/Trp 6463778.2290 7048273.9260
Asp/Thr/Asp/His 3494496.3090 3577616.5450 4041402.3940 4318525.7130
ATPA (S)-ATPA 1961550.7040 2070496.2430 2079896.3800 3442819.9900 2160601.9630 2444170.1160 531686.1839 458044.3006 660327.1423 571597.1882 842477.9816 453421.8729 813507.2028 723381.7281 612344.7227 730776.5822 1247728.2580 1367764.9870 932642.9916
benzenamine sulfate Benzenamine sulfate 2490103.3430 2811062.7960 2367237.0350 4028038.6230 4001879.2160 4123439.7660 3193901.2730 2990892.5900 3125529.5710 2109639.0590 2292098.3580 2601668.7170 2991710.8550 2925857.2080 2528852.0450
benzodiazepinedione 16661971.8100 6057216.2960 20539824.1400 1333345.7190 623432.3266 625563.4578 1384210.0860 2001557.2650 2257168.9540 2038612.4890 632786.2954 635550.0079 735086.5175
Betaine Betaine 692351619.8000 691555298.3000 936551731.3000 794693915.7000 1206359539 1141430925 856219863 841331949.6000 851775339.5000 845586526.9000 48148115.1200 65321865.7800 50033510.8000 1298981297 1276049224 1243143218 1010056697 980342575.1000 1103431646 977716977.6000 999532247 1024322022
biolumazine 4459647.8070 3564441.0990 2888485.5650 4484140.4440 4792292.0150 5415932.1070 2402651.0120 2359634.6600 2567783.0610
Bis-D-fructose 2^_1:2_1^-dianhydride Bis-D-fructose 2',1:2,1'-dianhydride 3359537.6010 3890992.1900 3504470.8360
Butyrylcarnitine CAR 4:0 1568073947 1809851655 1592868783 2171232267 2161193685 2461732011 12929479.4300 12397281.4300 12714406.0800 13528077.1400 2240010.0050 2503688.6840 2272162.3170 69473234.5200 68198633.4400 84973806.1900 115842955.7000 133222225.3000 132380069.5000 1012394420 969111685.8000 994091835
CAPS 38162987.1400 50184113.1300 39355644.2200 64650147.0600 66269680.0700 58582352.2600 105415456.5000 106434510.7000 87818047.4000 88782240.4900 112787032.7000 104867367.5000 114589781.3000 113408185.1000 99465363.1100 96699861.1600 65090979.0400 61173301.2400 64191491.5900
Carnitine Carnitine 1036785695 987180530.7000 1044840830 771561657.7000 760017852.4000 745677274.5000 154597477.1000 153783745.2000 147704270.8000 134598855.9000 1252990.1040 506877169.3000 482753542.8000 492414959 313117193.4000 393750064.1000 494149723.4000 630174057.1000 659423220.9000 700733139.5000
Carnosine Carnosine 847629.1682 692154.4760 1115509.4410 835605.8919 932252.2381 974488.0239 1862103.5880 6317242.2810 7545002.4720 7902383.3020 1683341.7490 2947091.6850 2565106.4050 2229473.0540 2448540.7270 2203918.6280 2358076.2850 2022357.0700 2295451.7460
CHAPS CHAPS 4598046.1000 5676202.4280 4546982.1860 8471600.7380 8470336.7490 7411657.5450 15297096.1700 13625433.9600 8408027.3820 7911283.0200 18747194.2700 14954566.6400 18198340.2000 17074027.8200 16253143.0500 14978182.9900 7524753.5290 8111427.3930 8075395.0720
Chloropyramine 13228633.7300 14127266.4100 9649746.2930 16216246.4500 8753748.8430 9952954.5810 7780388.1920 7637306.3470 10718699.7500 17822360.3000 7214066.7440 12499836.0400 9112692.9710 9481823.5870 9714260.6590
Citrulline Citrulline 19488153.3800 14251865.5400 16661011.1800 8707074.5810 2555484.1400 2806287.6780 3757220.7620 86716108.3000 108269266.2000 108274616.2000 3176114.1680 9197431.4840 8729386.7930 7757454.6500 9727624.8670 8276819.1320 3046846.9550 2892908.8650 3482564.1300
Creatine Creatine 2238200223 1280211219 1776342150 394930855.4000 682927004 583076970.9000 1219736992 1251243622 429644494.2000 422665146.6000 4962778319 6040258505 6050046112 5355258200 6194835116 6361196199 3159966528 3319754987 3272724026
Creatinine Creatinine 1467252918 1506289350 1384075192 1548275957 1330224833 1351013836 1297856313 1320881403 1509913927 1515329623 850770288.8000 936655089.6000 963975349.5000 1056558611 1042917403 844043822.6000 931526748.2000 939928235.8000 996677540.1000
Cys/Asp/Glu/Pro/Thr 2071149.1500 2444049.8590 2653816.0830 1178753.9430 568772.0476 434794.1519
Cys/Met/Phe/His 46976091.7500 9585855.9670 28056460.5500 1023151.7980 1248026.0320 1122209.1720 1365293.8610 20858435.6000 18628753.5200 6576806.7680 10085586.2600 14825679.7600 11892661.9200 17555288.6800 15367060.7600
Cystathionine Cystathionine 6240900.5330 4116689.4350 3543273.0150 7297331.6850 8162130.5450 10910618.3700 386689.6265 419330.7379 479469.7031 535480.5099 423628.9067 338628.5277 7134875.5030 6563452.4410 6856839.0890
Cysteine-S-sulfate Cysteine-S-sulfate 1376184.8750 2807225.9810 9172915.5800 8948532.5910
Cystine Cystine 5996219.3000 112558856 80238711.9000 79494805.6600
Cytidine Cytidine 1216911.4690 936595.9671 827269.6964 597375.2959 529891.9542 665496.2701 24033047.4100 25728092.8900 20466610.2100 19938037.6300 4204457.6460 5879105.6060 4314786.4270 1073215.5190 1310168.7570 1287414.8490 1425447.6240 1271278.0380 1244722.1900
Cytosine Cytosine 803958.4391 527873.2395 806900.4857 878103.0573 834031.8692 8943592.8560 9379419.8600 7603862.8800 7437488.8680 1585253.7440 2264809.1390 1701250.1340 866331.0929 637678.4591 617586.3130 715453.8971 842361.2220 539211.5546
deacetylcolchicine 762937.1670 3177874.9850 4034623.9540 4431425.5640 475756.9634
Dehydrophytosphingosine Dehydrophytosphingosine 1375840.1070 1987940.4190 1119654.8560 2385713.0450 2123104.4610 1646713.9640 2676111.1430 3441720.8600 6302213.4380 5548326.0860 1880009.5170 1506996.4860 1586192.4060 2394061.9180 1556114.5090 2840092.8630 2532771.4700 2079791.5730 2456153.6880 2213023.0110 1948285.4130 1971235.0290
Desmosflavone Dasytrichone
Dihydrothymine Dihydrothymine 139052534.4000 71725277.7100 109689216.9000 18035737.4400 29118568.4400 26034320.1400 94231508.6400 135743866.5000 140368720 141509438.5000 120741813.8000 221212211 224985358.9000 152882621.4000 159622028.7000 166984362.7000 136720601.5000 147697442.1000 141516100.3000
Dihydrozeatin riboside monophosphate 255134144.1000 336675842.4000 327672656.1000 366788349.2000 236004515.8000 244483790.3000 14869710.0100 18386351.2500 19904955.9900 22153109.7500 24169742.6400 19489538.3400 50109284.1400 47640225.1200 68615271.8700
Dimethylglycine Dimethylglycine 21375816 18671355.2500 22309517.0800 15183216.8000 14339350.1100 13548015.9400 27753506.4500 28916150.3000 21480394.2600 22655336.1300 11564715.5700 13045315.7900 11805897.1300 16630335.0700 18799292.5100 19410159.1000 19697524.0900 18643750.4900 18247121.2100 17313289.8200 16767131.1200 16933988.1000
DL-2-Aminooctanoic acid 2-Aminocaprylic acid 69681811.8300 67275271.9000 62456585.3600 58923177.3900 73222684.7900 65757107.5600 5282276.4710 4795673.3530 4337545.0290 4432868.8090 23923913.9900 21008210.3700 20971794.6100 11425867.6200 14218556.0200 18580497.6600 41118017.2300 40557395.3300 43315020.7500
dodecyltrimethylammonium 5353302.4170 5872745.4970 5973276.7180 4297484.9350 4616907.1410 4673700.7500 296249303.9000 277487859.1000 5170233.3250 5288006.5210 800848.5576 86491693.2000 857936.5386 5040113.5590 31450598.1800 13650540.4800 13774138.7400 13135751.1300 14892840.1900
Dopamine quinone Dopamine quinone 11092843.3600 10714885.6700 11105467.6200 7438604.3520 7204345.3520 7499998.2310 2121492.7580 2140353.0490 2330631.6950
Duloxetine 320451.3008 244240.5888 235077.1816 269140.0540 892054.3634 2831573.9900 7156867.5030 5052644.7940 452742.0298 544715.9293 495943.0818 714585.2411 809792.9043 469605.7189 365459.1107 286192.3922 399797.4130
eicoseneoylcarnitine 35085509.4800 37144821.5100 27906103.3000 24049948.8700 30789891.2100 34039609.8700 13013170.6700 13479234.6400 13824083.6600
Ergothioneine Ergothioneine 8962704.7930 3697795.8110 6061095.4410 1205132.1200 1782335.8670 1564728.0260 273201.7381 4772030.5090 5489080.1510 5390260.1460
erucamide 13Z-Docosenamide 26164389.2400 56387414.5100 14234924.3600 106210780.6000 22406622.3000 106358342.3000 155543241.3000 160675810.2000 194327945.8000 200039044.8000 2828221.9790 3614146.2260 2882350.9750 76395397.0900 52389894.7100 57573062.7200 191470389 103855931 42062940.2600 57196237.8500 56564028.2700 56785007.9300
FA (13:2) tridecadienoic acid Tridecadienoic acid 3873762.3360 6836422.6050 5208223.5260 4401215.6960 2247218.3190 4428096.1890 19311300.6200 19556391.0800 9687029.2860 12524808.5200 7441350.9530 7735225.6720 7710233.3180 3385076.1250 2657443.2150 1854592.1810 4780166.9440 5466222.1210 3111772.6600 3303048.0160 2980737.2990 2996365.9850
Fasoracetam Fasoracetam 3799002.0170 3732652.5450 3363087.4390 3311835.3210 2608282.4880 3001849.5010 3237528.2020 3066801.8570 3368400.2480 3826282.0400 2338479.5080 2549899.1850 2507711.9210 1770921.1260 1565393.4320 1747652.5920 2333969.3920 2343987.6940 2372715.1030
Folic acid Folic acid 3449240.8980 3228279.6760 3175886.0230 2404052.8290 1650062.0930 1701170.5710 1050332.5830 1571401.1270 1858883.5360 1594429.0200 570066.3391 678161.4350 432896.6812 899458.6535 928074.9893 637372.9818 2450953.3060 2223331.3830 2265560.9410
formylaminopyrimidine 223198104.1000 271076648.8000 261435068.9000 299716305.9000 236109103.6000 268399900.5000 300382286.2000 297908813.8000 342743382.2000 364049219.8000 166187183 208896166.5000 177847785.7000 211053849.7000 201149306.7000 230798322.8000 194511189.1000 187663338.8000 182308755.7000
Fructosamine Fructosamine 7760303.7580 3775747.2240 6880692.9750 1599308.7350 2053888.8320 1848101.8610 19322829.2000 54366508.0100 39392059.8600 36510333.1700 7423786.3990 23257609.4200 17751821.5000 30022411.2800 26218836.7600 21475023.4200 11511245 11392061.1100 10537221.7300
Fulvinervin B 2538740.6270 2718681.2960 85820592.7800 79994270.4000 86040512.4200
furaneol glucopyranoside 2159002.1730 1188567.6340 2344783.8450 239526.2230
Gallagic acid 3322348.0920 2606128.9320 2771320.7380 2018536.3030 1598705.7800 2298854.8870
GDP-3_6-dideoxy-D-galactose GDP-3,6-dideoxy-D-galactose 6927518.6030 3007758.3610 5538136.3780 907015.2452 1173900.0540 1210099.7220 993441.7295 942030.2501 1020909.0940 1012170.1990 1274641.6710 1678881.3600 1869930.1180 2215264.5100
Glucose Glucose 17586681.8600 20103931.7900 18082640.1900 22891744.1300 16980374.5200 18425883.1300 40501381.3700 55597953.4700 28816280.8100 28417891.5100 60099883.4000 68784510.3000 71029275.8200 62937140.7400 66761248.3300 81016305.4300 39298939.4200 39590027.1900 41219161.8700
Glu/Ile/Pro/Pro/Tyr 2602426.4380 4036940.6270 1806236.3450 2825991.8860 4162707.5360 4255313.5430 9292847.6850 7743957.2430 8379017.4710 7192333.8160 3352416.7080 4104507.9400 3561157.7600 4302305.5840 3796850.6200 7229024.7470 2919564.6200 3278808.9090 3318086.8270
Glu/Met/Met/Tyr
Glu/Met/Phe Glu-Met-Phe 2862079.9240 2318152.7250 2903926.4620
Glu/Ser/Val Glu-Ser-Val 2005317.2190 1847348.5370 3782766.8570 527047.0391 460165.8554 459218.6582
Glutamine Glutamine 939363808.2000 351469103.2000 745991426.6000 236041465 230638018.6000 222717292.5000 1708658742 3440824670 3506974059 3579823350 22465200.1100 51315734 41401544.0800 641737129.2000 573889727.5000 409533248.6000 969946670.9000 1010320020 1029063214
glutamyl-L-alaninol 1714220.2130 1451005.2370 2045719.2710 567058.8677 674511.4215 3047653.4050 4414533.0170 4056472.5710 3635834.1090 890763.1081 896293.5200 2448205.0570 1355925.2290 1107926.7310 1406298.7030 1820391.1010 2079458.7930
Glutarylcarnitine CAR DC5:0 13273658.6600 14038636.4100 10903850.0700 11519891.7000 10863775.0100 11889807.9400 926536.2948 708852.6158 1027479.4440 1015050.8750 542273.9164 696118.4540 520469.1115 422242.9359 559864.0995 5433302.5710 6042604.5480 5778768.6650
Glutarylglycine Glutarylglycine 591916.4659 557938.5628 15902328.4400 15102367.7200 9723553.7540 11694389.6000 19420317.9200 17984218.6200 23525882.2200 21589387.1700 17351895.6700 19860384.8400 4306639.4270 4096986.4030 3890295.6420
Glutathione Glutathione 18122504.7800 21191568.3300 17570511.9700 27141214.4100 36284356.9500 36665243.8400 635009.5203 9733999.4940 1624245.2020 927051.6336 14878636.7800 5937040.0270 62962809.8900 12403749.7300 6452019.6260 5701568.7410 8913476.3190 8117986.7350 8754598.8150 14166035.0400 13721136.1200 15122935.6200
Glycerophosphocholine sn-Glycero-3-phosphocholine 2602884355 1315049554 1938070069 293609508.9000 580274938.9000 489956496.5000 35314883.0700 92663119.8700 97430265.0500 95412104.9000 2468961.2330 2030271.6000 1834300.3540 1841957206 2765891779 3097742468 1686691964 1931870761 2186181142 2061516307 2531834099 2355869299
Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 6014747.8870 3653512.3040 4190066.2720 3328702.8510 3498002.1950 4638742.0110 163426.4010 204553.7989 150445.9995 3262412.8550 6493617.5010 5689113.4300 3593636.8180 4198835.3790 4197055.6650 5142304.6320 6338105.3810 6082597.3340
Guanidoacetic acid Guanidoacetic acid 83454675.7400 66260057.6600 66646201.3800 56876434.0800 32127850.4600 31232879.8500 1771806.8960 11651196.3000 13130495.4000 12729829.3000 2307394.3790 4736194.6220 4769673.1680 3321390.2680 4347256.8590 4356231.9350 15780751.8000 14711863.3500 15522473.3200
Heptaethylene glycol Heptaethylene glycol 1685600.5520 3318909.4500 1817340.0930 1323032.4330 4578663.5130 1792413.4020 30037808.6400 34299400.1300 4775824.4490 7216187.6100 1088405.7100 8559446.2250 1156325.6130 2642317.1280 3380396.0310 1604471.1550 2942719.8660 2740528.0790 3093698.5320
HETE di-endoperoxide HETE di-endoperoxide 4210283.2030 10314232.7800 3743208.1840 7393020.5890 18225621.6200 6864893.9940 5137782.3310 4884916.0310 9831198.3960 8690499.8050 9742988.2740 7344529.6750 3500345.8870 7515351.7300 7674780.0790 4661622.9960 5878302.2750 5771452.2900 6368210.6810
Hippuric acid Hippuric acid 122001079.2000 138985621.3000 135138810.8000 148033911.9000 110163778.9000 109917590.1000 111616152.3000 120578240.6000 120010787.1000 109745041 80703838.5900 91196112.7300 99233483.2800 98800306.0200 128048489.9000 95741988.4900 81469589.2300 90845318.8200 91220353.4800
Histidine Histidine 122115883.3000 80347618.6100 108753857.5000 34719386.1500 36898808.4200 31145958.5900 90331522.9600 292426487.5000 134730101.7000 188097587.7000 5144878.6020 4823307.7770 3500401.5100 45795601.2200 33083941.9600 36470708.0900 18441377.1500 18870014.9500 20556124.9000 75299476.2500 82246621.9400 89608898.9700
Homo-L-arginine Homoarginine 5861070.9790 6460825.6900 6048779.9870 5272396.2150 4474400.8550 4350612.8640 3515030.9860 3465483.6870 4424390.5800 3871442.0400 2039700.9270 2527871.2070 2598787.6700 2918178.2420 2576991.5980 2447917.6840 3081668.9230 2698682.3710 2900752.6080
hydrogen acetylphosphonate 9097846.9880 5121348.9290 7185735.3950 1292913.1140 2254921.2500 1969321.1020 464683.0666 489593.0646 6819946.3580 11371960.4900 12713954.7100 6751341.2240 8421786.3540 8276996.2870 8483330.8390 10089985.9600 10534526.1600
Hydroxybutyrylcarnitine CAR 4:0;OH 3446874.3450 3338317.7830 2772796.8080 4495432.1140 5735490.8460 4994595.0580 4177766.4540 3281813.7150 3036846.4840 1789696.0320 2479421.3690 3903301.7030 2756423.1260 3273586.1210 3210757.7030
hydroxy-N-acetyl-(L)-arginine 3625310.0470 3809648.6500 4190917.4250 4636391.1620 3363643.2130 2514978.2330 64758290.1000 64899819.7000 37718521.3600 39415617.2600 27654126.7600 31379701.7000 35528165.4100 57601225.0100 39926059.5800 26968591.4300 12057926.5900 11822887.2300 12067926.1000
Hypoxanthine Hypoxanthine 512838.7165 777752.1914 56703736.5400 58501945.9100 48053064.0500 44202426.4500 729599.4716 1287945.4990
Ile/Lys/Pro Ile-Lys-Pro 722683.0388 696935.1321 645091.2683 849822.8448 882596.7776 775507.7644 242631.0969 196012.4558 1974087.1480 1452097.5790 1600373.3520 814220.4827 987177.9973 1347760.2100 1007848.1430 853394.0647 871194.6379
Ile/Thr/Ser/Ser 13164268.3300 14627644.3200 25470588.6100 6012363.4330 1891884.8030 1426039.8500 1077242.9230 970315.6518 1194159.5410 1232874.9460 709282.5596 948733.0299 877752.5669
Imidazoleacetic acid Imidazoleacetic acid 6634834.0780 7516813.2080 7398854.5730 7207650.5020 6934105.7880 7113559.8420 1547855.1260 2197535.4780 1463361.7280 1477936.7030 2948473.1340 3771428.8660 2726803.1730 1887803.5840 1551858.4600 1857820.4360 4052852.7500 4119119.8500 4174618.0260
Imidazoleacetic acid riboside Imidazoleacetic acid riboside 10976284.4600 5776128.4150 9830796.3110 3675123.2330 5226042.1890 4378296.0610 1715186.5750 1656849.4400 2042938.5550 2341644.4680 1374296.9990 2048256.6290 1701334.0230 2003626.0250 1723062.8120 1776897.0650 7651682.8240 7029271.2470 7983238.0240
Indoleacetaldehyde Indoleacetaldehyde 33367295.1200 23014575.9600 24490878.1600 18569235.2600 14974189.5700 15390101.9700 8106785.9550 10079166.4200 10460526.2100 14195038.1900 13821734.7900 8328138.7190 9321553.6590 9655457.9110 8881899.0290
Indolelactic acid Indolelactic acid 4405535.5530 4668859.5780 4494625.5280 3892961.2020 3221931.4340 2999709.3530 2838677.9760 2868794.4620 3088888.7950 2912816.5740 2144998.2720 2583883.0790 2560789.2050 2072634.8010 1968074.2710 1839986.4750 3763930.7730 3837240.2700 3487501.1000
Indoxyl Indoxyl 18573981.8500 20722748.1500 19444212.6200 17507401.6300 15797820.3100 14824079.1500 9114424.7730 10428765.7000 10306567.8100 12962850.6000 2967674.8210 4263938.5420 4279955.5220 4821340.2030 4394020.1920 3593067.4460 10777032.9100 9380621.1700 11488486.7900
Isoleucylproline Ile-Pro 6518905.4430 5888472.7070 6427413.2710 6470934.4840 5853044.8090 5685385.3470 5120782.1930 5641912.3470 4831656.4500 5495585.9160 4651639.5910 5556039.9580 5028662.6240 4666752.9360 4128044.8650 3938577.3120 4939292.9130 4456791.7250 4371701.1200
Isoputreanine Isoputreanine 2313266.0890 1811910.6560 1633188.2710 1760721.4920 1198292.5540 1286734.8300 1666022.1860 3588386.0180 4303539.9060 4240504.3000 901898.8431 1424751.8000 1059710.9990 1620241.4180 1416603.6570 1300723.4940 1050224.0240 1119115.4950 1196615.5510
Lenticin Lenticin 676944.2698 761816.2428 577423.2333 584243.9429 624646.0415 1084763.9120 506316.7728 394707.4305 514623.9453
Leucine Leucine 2258075896 2544020861 2512618208 2454788468 2467199708 2512974131 1823373678 1787314771 1968652236 1978400748 5546014.2620 14193856.1900 23358191.2600 1400408733 1352995521 1361758544 1367718990 1234755015 1210621803 1671229114 1624166316 1689769046
Linoelaidyl carnitine CAR 18:2(9E,12E) 16602827.1000 20623771.1100 16223399.6500 16058969.5100 18546395.9300 21064490.5400 7768768.0870 8662165.2460 9117083.0890
Lysine Lysine 431344425.3000 449199409.7000 431145118.5000 399473928.5000 333260161.7000 318361935.8000 126181211.5000 141603752.6000 168956752.5000 157484915.9000 641529.1827 19399857.9500 24503427.8800 24534051.4900 59221407.6100 43265796.1400 38774632.6800 182803636.4000 175739632.8000 177930086.4000
LysoPC(18:1) LPC 18:1 9255091.1830 11281169.9700 13815069.9600 8872159.1990 6831549.5430 8264796.8830 41901368.3900 42323657.6600 49228078.9500 52784875.3700 10337295.6000 9669720.2040 9271207.2070 7040263.7820 5608571.9730 7612802.4310 7334118.1680 7338237.6000 7843415.9340
Lysyl-Valine Lys-Val 45486854.1200 36272521.4400 40710074.5600 40464069.9800 53645021.5500 53367685.8300 1476474.8080 1971671.1540 1933249.6620 1869228.1370 24350940.4300 23624275.2300 20537927.7700 5319228.7010 6470611.8370 8842888.9870 29867451.3900 26087431.8600 26151334.5700
malyl alpha-D-glucosaminide 2873156.8140 2151723.1260 4578957.6880 529012.5851 254541.5517 188293.7919 810778.1084 324131.1750 334865.4286
Mannitol Mannitol 36875494.6200 28601597.1400 33578995.8400 25171101.3000 26299733.2100 25223467.8200 19498229.4100 57279579.9400 63698463.8500 61684087.2300 17339732.9100 38227781.8400 36653661.1200 41863910.9400 46380464.0500 43481672.5700 25890675.9200 28055451.3300 29086990.9900
Maximaisoflavone B 1494314.6550 1032751.3410 11868603.8200 11466443.4400 12687688.5600
Met/Cys/Pro Met-Cys-Pro 10598843.0100 15166114.2700 12465275.7200 21265994.8700 6089422.1100 4961935.3800 1321772.3040 1706536.6640 1962329.7730 1571730.2390 604183.3754 572925.6877 558832.9141
Methionine Methionine 1424584847 1501735843 1476101133 1066939656 1138115054 1102254801 954436193.6000 989062722.6000 1040853057 978455271.6000 415728901.3000 417316314.6000 430030189.4000 521829334.7000 462153370.6000 449352333.7000 930009687.8000 877391271.8000 913548921.9000
Methyl5-(but-3-en-1-yl)amino-1_3_4-oxadiazole-2-carboxylate 116256482.7000 130002278.5000 126004691.7000 136071996.6000 102256592.1000 114062535.4000 85440949.4100 83783500.0300 98277702.2700 87334602.4100 46644744.6900 63397901.0800 53351064.4100 68607694.0900 61851046.3300 56798457.1400 68354977.7000 70587596.3100 71142451.1500
Methyl cinnamate Methyl cinnamate 1301270.4470 1530990.1310 1184570.6850 1402946.0470 1554544.1670 1246821.0510 1553097.1970 1708889.0490 901651.5991 1131628.5890 1188350.0740 1076156.7160 1249119.5950 1780977.6520 1362016.3150 1376308.9470 1455932.6570 1571089.8160 1248981.0200 1834177.5400 1375243.9160 1349458.6590
Methylimidazoleacetic acid Methylimidazoleacetic acid 10925499.6500 11973607.3700 14320028.2500 9528637.2460 7741984.4340 6478981.6420 13933699.4400 11750472.8600 11272665.4600 11427396.8800 8484256.1490 9912008.8970 9877739.3940 15009415.5100 9498564.8480 7739617.0090 7210663.5630 7524402.6540 7188186.7580
metoprine 5652935.7140 5352853.4630 4663947.0400 4809483.4570 4864911.5260 5321504.1630 5464014.2180 3698108.2220 5123240.1690 5800123.2880 2785151.7550 3505298.8190 4040289.8300 3767329.5090 3785647.6940 4779775.8270 4188924.3420 4755060.0810 4169082.5860
Met/Phe/Gly Met-Phe-Gly 3598850.4920 2768441.8790 3037425.6050 716318.9221 669407.9925 1071358.3980 720688.5444 1046587.1510 1409773.2930 990615.8873 1367523.4440
Montalicin A 3518582.5840 3520447.0140 3601095.0860 1260830.6730 2768476.1190 2382545.6280 2320267.7740 2531678.6810 2008738.2950 1646401.5760 1420300.8530 1309155.9120 1377799.4120 1697303.6440 2152055.9210 1874796.4650 2125883.7680
Muramic acid Muramic acid 22850517.3200 8566134.0870 29288451.4500 1281054.1350 681958.9180 621141.9062 655679.5274 1344716.5210 1571159.7530 1490773.6020 771225.2028 808889.9067 551826.8479
N-(1-Deoxy-1-fructosyl)phenylalanine 191989827 218199686.3000 332163260 71476507.0400 20545591.9800 16071142.9300 5662364.6380 5548953.7750 6780871.5270 6314433.2400 662590.1396 982697.5362 1668620.2330 1447479.9360 2952361.7920 779695.3589 7265740.1980 8012765.0420 8111252.5920
N-(1-Deoxy-1-fructosyl)tyrosine 15370357.6300 8924093.8820 24083499.3200 2098926.4650 845424.8735 689223.8730 1432012.8510 1855694.8300 1811204.6850 1895665.4360 677778.2448 935908.3585 944618.4993 992879.9950
N-(1-Deoxy-1-fructosyl)valine 59041180.2500 48207985.8100 106917139.3000 40201723.7400 6780748.8120 6307564.7650 3152291.3080 3521891.4980 2626925.2940 2753682.1880 1100723.8390 1695076.9030 2732214.2930 1970462.0890 3894699.8430 1075773.6980 6155227.9990 6439162.3680 6018158.3670
N1_N8-Diacetylspermidine N1,N8-Diacetylspermidine 54453303.5600 49045098.9800 40328282.1700 30388014.0700 31737229.4000 33703935.3800 14370788.0600 14571012.9200 15124245.3800
N2-Fructopyranosylarginine 281821779.9000 269983062.5000 447832442.6000 90122899.0400 25515495.3200 17641885.7500 106106408.7000 188933634.7000 213610429.9000 225089622.8000 1231545.2730 2208917.3340 5556942.0690 4311274.1910 1521771.5170 8283986.2330 7762048.2300 7018917.8100
N2-gamma-Glutamylglutamine gamma-Glutamylglutamine 739344.9461 14146529.2800 15498729.4600 15230067.4600 769894.2049 465280.8802 255738.6713 240042.2188 202545.7055
N-(2-hydroxypentadecanoyl)-phytosphingosine Cer 18:0;O3/15:0;O 994917.9000 1121120.1040 770785.8176 3438591.4450 1332251.9890 1812755.9330 7612166.8000 8170090.1350 7213131.2700 6426338.7360 2554296.5650 2071700.3860 2455755.4990 3666460.7970 2184798.5330 3538521.6330 1779731.7150 1402016.9460 1118328.8870
N-(2-hydroxytridecanoyl)-4_8-sphingadienine 4231382.7200 3602197.3710 3961161.5310 980506.3082 2520952.3370 2566100.3310 1096602.8720 1303032.6300 1150450.4660
N-(2-hydroxyundecanoyl)-4_8-sphingadienine 5721337.7610 6241199.5340 4536725.3200 2503058.5200 4743815.4160 3001674.3090 2040998.8130 2111840.9050 2179465.2430
N2_N2-Dimethylguanosine N2,N2-Dimethylguanosine 3308605.9920 2921346.2750 2591428.7950 3657547.6350 2504693.0390 2950835.1780 946233.7076 752064.2954 948731.4863 766533.8385 2075986.3360 2754314.9610 2564371.6150 1118018.2760 1586516.8310 1584508.4740 2017387.4010 2070282.2930 2240060.3480
N-[3-(3_4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]- (S)-alanine 1019521.4000 1081393.1300 3444937.1360 3675718.0060
N6-Acetyl-L-lysine N6-Acetyllysine 4142928.8750 3130770.9730 3387589.2500 2734947.9150 3225063.6010 2819210.8910 4538037.1940 4586607.4680 5145658.8390 4473380.1390 14650897.2800 15835547.1100 15350107.3900 8342749.4450 9944028.2930 10962826.8900 7541252.1800 8130243.6950 7834483.0310
N6-Acetyl-N6-hydroxy-L-lysine N(6)-Acetyl-N(6)-hydroxy-lysine 2393171.1960 3026367.7730 3191982.3040 3431279.8260 2222171.9850 2147681.7090 4505254.9250 4574344.4270 2564229.4060 3662679.0170 944788.0709 1407439.6680 1376651.5430 2830918.0600 1713009.8660 1338402.2700 1663767.0140 1749087.9580 1491699.0550
N(6)-Methyllysine N(6)-Methyllysine 11574605.0300 14272937.5300 13417153.1600 14687145.4200 12395288.4600 12673058.6900 4247923.4950 4373950.6190 6119954.6300 5289837.8510 3757444.5800 4354699.1720 3798344.7580 4264885.9570 4299449.7010 3413935.2100 6914889.0130 5155580.1660 5784844.1180
N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 52385325.5900 48203083.3100 48171306.9300 46965256.4600 39617423.4600 39124692.4100 28344962.3700 29176213.7800 33616411.3200 28599910.9700 22968679.9100 25051955.7800 26806589.4400 22942165.5100 19187789.4000 18022768.3900 29053123.8700 27283249.0300 26899340.5200
N-a-Acetyl-L-arginine N-Acetylarginine 1769221.1020 1190295.2390 1697711.8270 444015.5377 597850.1877 402284.6427 1393711.3590 1781935.0960 2078112.3170 1780789.6920 1121034.7140 1483242.4050 1508935.7190 1118149.2270 1128306.4560 1363516.3120 1331064.9960 1488633.1030 1592014.3460
N-acetyl-9-O-acetylneuraminate N,9-O-Diacetylneuraminate 2665389.5110 2457695.2040 2161765.1010 1553804.8780 1989781.4330 1881285.2830 916111.5381 1130433.9470 1267056.1850
N-Acetylaspartylglutamic acid N-Acetyl-Asp-Glu 74700840.9200 53438729.2500 50613003.0700 37376059.8000 30334449.2800 33359014.6900 3454081.0950 3583944.6680 3303227.3200 1841045.5160 2593557.3570 2795957.7270 66664001.1100 55882577.2700 55954475.2300
N-Acetyl-D-glucosaminate N-acetyl-glucosaminic acid 2933933.3680 1032321.6040 3383434.4220 1553777.7450 1993388.9160 1926490.8940
N-acetyl -D- glucosaminitol N-Acetyl-glucosaminitol 4314905.2070 3612586.1760 3511966.0950 1984026.6640 2695585.1230 3067480.7200 866249.0445 1030594.5870 730525.2833 715631.3329 627785.4035 702705.9119 914715.9419 564118.5392 601941.5933 741827.7119 3837974.3770 3687164.3650 3496218.5700
N-Acetyldjenkolic acid 1577208.8230 1583445.3350 1829909.0790
N-Acetylglutamic acid N-Acetylglutamic acid 12344061.8900 6441325.3650 8492317.6530 3369293.8820 4893615.5710 5114458.5050 1798603.8620 2646788.2610 2299671 1396163.9940 1962416.6250 2072769.3180 8507479.0220 9177806.5970 9360483.8490
N-acetyl-L-2-aminoadipate(2-) N-Acetyl-2-aminoadipic acid 15701846.3500 16401260.3700 15347296.9500 8127517.7190 11299060.0900 11222789.7400 4089752.6070 3985895.6180 3845667.6240 3355956.5070 4781977.5550 5094443.7410 4489802.4970 4894514.6120 4891750.2600 5074703.8710 13500573.1200 12150313.2500 11292990.6200
N-Acetyl-L-aspartic acid N-Acetylaspartic acid 188178587.3000 61201552.8200 124222528.2000 48316521.1900 44647114.0600 48191679.2000 258472.8147 1142975.2080 681354.7229 722567.5267 17033173.2800 32705137.6900 31555848.9000 61510007.7400 104815194.4000 81104704.7500 126365688.5000 155544742.2000 179185644.1000
N-Acetyl-L-glutamate 5-semialdehyde N-Acetyl-glutamate 5-semialdehyde 938966.7470 1267434.2860 1962014.8760 4815784.4740 4032135.1290 5533448.7970 21140333.7900 21016623.9900 7915392.1200 7727634.9160 47777416.2400 35459127.7000 45441108.6100 44359239.6500 39533129.7800 42160995.1100 12183001.1900 12791005.9000 11147692.3700
N-Acetylneuraminate N-Acetylneuraminic acid 52429762.7500 23357592.6000 62052163.1000 4115155.4280 1393585.6080 1081870.4810 3506411.9740 7484360.0440 8194118.6490
N-Acetylneuraminic acid N-Acetylneuraminic acid 32002848.7800 16786981.4300 20815872.3100 10414482.1100 12358638.8900 13101455.2700 915957.5028 3168206.8850 3744249.4840 3720404.6740 3003655.7700 6114682.6720 5779969.0470 4550287.3780 7512486.9720 7674901.0570 15387921.4300 18326091.3700 19100147.6000
N-Acetylvanilalanine N-Acetylvanilalanine 3067435.5220 3886295.8900 2774972.1520 4685709.2540 4624115.7130 5270739.1000 2726722.1710 2773324.7860 2281731.0900 602963.6593 857752.6433 1323836.9670 3044874.7110 2940172.3240 2665779.4850
NAD NAD 13396651.4300 9581015.7360 9886137.6990 3590398.0620 7246808.4640 7039877.5560 39246907.3700 55952073.6700 57807362.9100 43912106.9900 60278002.3800 77357672.5500 35455254.7600 36073298.0900 39712655.4900
Nalpha-Methylhistidine N-Methylhistidine 36421089.6400 37150743.0100 30860194.7100 36730993.0500 37075581.9100 36528307.3600 57562997.3300 57950801.4800 58626666.7600 60176568.4600 53216104.4800 52894210.6800 55551908.8500 43402490.1500 43607044.5100 44966800.3800 57138929.5800 57958041.9300 54625122.5500
N-Desmethylaminopyrine 12954714.6500 13821042.5900 13111039.3700 9340303.2520 13342555.9000 12301501.5900 26954492.0500 28461001.9200 24810828.6000 25329510.1400 37048833.5500 30155807.8200 32357786.9800 33831689.3400 32585150.7300 30261434.1700 21593211.2000 21230357.8100 20955673.2900
Ne_Ne dimethyllysine N(6),N(6)-Dimethyl-lysine 26072976.8200 26387143.6700 25852927.7400 19498092.5800 14231037.6500 15459896.5400 6926389.6740 7924000.1840 10394492.4800 8861805.5040 6115689.6710 7804573.0540 5965928.5970 6959744.1500 6323198.4020 6098123.9810 9122535.4220 7915205.8960 8803116.8090
N-hydroxyisoleucine N-hydroxyisoleucine 60610582.5700 40601048.7900 58801100.9800 23738622.6400 25814416.9200 25924313.8000 37121394.4300 34305531.0300 29948684.2300 29664264.4700 35100155.7000 40870644.6900 38051399.1600 30982613.6100 28569084.5700 30764726.4900 45824483.8200 43919082.9100 43954824.6100
N-hydroxy-L-pipecolate 8361469.0580 7134138.5170 7833413.3450 2464727.0240 3314443.1890 2847431.8190 17927191.0700 18161094.4900 19725503.6100 18816165.3300 2094458.9640 2058629.9550 2886452.1770 9824176.3880 12746827.2800 12042770.1400 14568150.7000 15121685.9000 11318910.0600 11383244.9300 12004270.1500 11213989.2900
N-hydroxyvaline N-Hydroxy-valine 414488.8606 435683.5708 6216909.4050 6886441.2870
N-lactoyl-Tryptophan N-Lactoyl tryptophan 3507928.9950 4673412.1540 3321720.4620 7252080.9410 5798282.7800 6473485.0860 1340133.4540 1196891.5650 1641469.8360 1907972.8170 1506457.1330 1350748.1880 3391768.7650 3328926.6720 2939253.1670
N_N-dihydroxyhomomethionine 25975352.0800 24643018.2800 4170093.4120 4656559.9780 4076620.4310 1542190.4100 2644469.6700 985541.4621 666908.1596 980720.3285 715610.9431
norcisapride 2279718.1070 2420724.9380 2681212.7630 2428234.2870 1473603.6610 1823544.6160 833957.6753 817371.0466 847370.2612 728061.8905 655368.6649 845528.2785 653789.2824 815144.1939 877342.8101 862129.3561 752788.3985
O-Acetylserine O-Acetylserine 39157013.6800 41887698.0500 48322567.8700 23198808.1000 45344405.1800 38776016.7600 1663523.6840 2296408.1850 1792761.5920 1806298.8070 56898054.9600 55630345.3800 51439448.2000 31469410.9100 37534136.8700 42648562.9100 45174558.0300 46395198.0300 47473165.3200
Octadecyl fumarate 24637252.7400 22740491.5500 24319928.7000 14065223.6600 18788166.2500 14709916.8000 31297261.0100 33398459.2700 16363144.5200 13856482.5500 13105446.1700 17945400.0800 16283885.3000 14754731.9500 14123096.5100 14943184.5200 16522250.4400
Octaethylene glycol Octaethylene glycol 1586598.1630 3304037.4180 1311200.1580 1426181.2210 2904850.1440 1336880.9870 25614470.2800 28368352.2600 4658788.4220 4291044.7280 1604552.7560 1961007.5310 1757051.8070 748673.9893 6048011.8030 952884.0975 1594837.0020 2983993.2190 1537617.4810 2478769.5910 2091472.6260 1941400.2280
Oleoylcarnitine CAR 18:1 267565669.2000 260369855.7000 207580627.7000 210136914.6000 226429515.4000 248086441.8000 928693.8667 99248816.1800 100150700.9000 102465104.3000
O-Phosphoethanolamine Phosphoethanolamine
Ornithine Ornithine 40229890.9200 40097846 49029198.1200 42351515.1500 36082995.7200 38131421.3900 138288238 143289446.5000 175171994.2000 155319405.8000 73512919.6700 84530775.0900 86366361.5000 113486632.2000 93368047.1200 83333486.8400 57228637.7300 51027987.0100 50012899.3800
Oxidized glutathione Oxidized glutathione 28768269.6100 29037305.6100 26482469.4900 26267923.5400 12204586.6900 13897884.9200 9003514.1660 12938792.0500 12441070.6700 21461130.1700 18006525.5600 14522124.8300 22266191.4700 18053412.6900 19729048.1800
Oxomemazine 2412433.0280 1803012.3100 3733789.1810 237910.3807 627600.7652
PA(35:6) PA 35:6 1726039.6700 1593472.8470 1266068.5610 1044333.9630 991216.1314 1265894.8090
Palmitoylcarnitine CAR 16:0 162162541.3000 186191271.9000 137016070.5000 112781936.9000 136504656.7000 149988822 60595399.3200 58650011.4200 68517063.9000
Pantothenic acid Pantothenic acid 668620736 733072359.2000 739506333 734545634.4000 660278807.7000 626902925.2000 161699045.1000 156136250.1000 167807602.6000 166651106.1000 277343888.5000 278468893.7000 269594449.6000 262787359.7000 281903526.7000 268051907.5000 417360217 395874188.1000 396243893.1000
PC(12:0/20:1) PC 12:0/20:1 111101373.3000 117426862.1000 122691815 39464878.8600 122209146.9000 90216494.9200 38463633.4300 38365356.9900 2016374.4690 2596724.8900 114979849.1000 104470396 92339238.1600 53208355.2800 80321171.8600 63774848.8000 80108629.9100 75389124.9400 76280189.9900
PC(14:0/20:2) PC 14:0/20:2 109169056.1000 109965819.8000 108320679.6000 42516241.3500 137522036.1000 108452245.4000 2262191.8350 2391520.5580 2912945.8610 3102707.7140 149027357.3000 132676079.3000 112841851.9000 64923048.6600 100589159.2000 87664633.0200 85533931.2900 84369213.7400 83149227.8200
PC(14:0/22:4) PC 14:0/22:4 19545805.5900 20425086.7300 21504082.2200 6850498.9460 21605011.2000 17431381.1800 2058413.2520 2249116.5430 2312087.2990 2477654.4330 8328362.6010 6900285.0190 6232529.5640 7552935.8490 7093236.2340 6687449.1760 12261221.6100 12209075.5600 12326453.7600
PC(14:1/22:2) PC 14:1/22:2 41097173.4100 37834095.7800 40388831.1300 13776500.1700 52917305.7600 38810758.1100 2480874.7970 2081350.3160 2615726.2240 2204430.4570 37461025.7400 31230987.5800 24373009.9100 14739228.6500 21263172.5100 19595557.1800 26529742.2200 26071506.7200 26981749.5300
PC(16:0/22:4) PC 16:0/22:4 16992592.2300 16123540.1300 18224702.3400 5660917.0630 22547944.9600 14889850.7100 3489918.2440 4184633.0150 5234843.7820 6055069.2810 7692152.6520 7712212.2170 5105327.9070 5184736.8810 5771379.0090 3974096.6520 12315087.6000 10455822.0500 11866943.1400
PC(16:0/22:5) PC 16:0/22:5 20397370.1600 19169034.2400 24074720.7400 6653491.2380 22621884.2900 16730360.9200 2863923.6410 3039226.1760 2800283.3620 3062292.9580 9198004.0940 8128884.2070 7452316.0450 7192453.4910 7135229.9100 2535521.2360 13016334 13165513.0900 13410557.9400
PC(16:0/22:6) PC 16:0/22:6 12836179.9200 12657574.3600 15073349.7700 4285247.3270 11744721.2100 8396832.5520 1994050.5250 1907297.0280 2281239.8130 2339565.8900 4593830.3100 3632706.7920 3858897.6160 3540263.4840 3840349.7100 3240361.0770 7522679.9370 7504388.0420 7801139.5770
PC(18:1/18:1) PC 18:1/18:1 81159754.6100 79324224.1000 93920251.8700 22698033.8100 107716450.8000 66571711.3800 4613521.4840 4678632.4820 5376108.8820 5603608.7770 270892040 243197009.9000 156786848.7000 69365012.7500 131228633.1000 96684097.7700 94631065.2100 99722841.2500 96558870.8900
PC(18:1/22:6) PC 18:1/22:6 8308395.7190 7697369.3650 10468871.1100 2393127.8940 8515227.1760 6014094.9920 5373304.1680 5330060.0910 4285571.4640 2961119.8820 3237583.7030 2737707.6550 5870604.1430 5247220.6800 6737599.6320
PC(MonoMe(11_3)/MonoMe(11_3)) 7380134.1730 6535494.7340 8200120.3640 1060421.6540 6989769.4040 3980182.1340 11446380.3600 9303527.5290 7106229.1190 3216282.1010 6111491.8900 4846420.4850 5668198.5380 4958684.6210 5698459.2010
PE(15:0/20:2) PE 15:0/20:2 41367915.6300 46723948.5700 38274448.5000 20417579.2100 49031524.9400 47588007.3800 19544700.5700 14040382.7400 15043220.9200 12588742.8700 15630401.5600 16241651.8800 24855085.6800 24206010.8200 24169987.8900
PE(16:0/16:0(9Cp)) 27704211.3100 28670257.6500 23809839.4400 13643441.6400 29512414.4300 28977696.7900 14988456.0800 13753676.4600 14119463.1500 11413508.2600 15027603.3200 14090510.6600 15792026.9600 16975996.6800 17390125.3900
Penicilloic acid 415059127.4000 471860111 472240706.4000 426414739 293959979.5000 300916985 612645603.5000 545906125 604282976.6000 558537769.2000 273418576.9000 354813762.4000 351882851.3000 498485570.2000 426662480.1000 358523219 294677797.5000 297374541.2000 300522049.8000
Pentadecanoylcarnitine CAR 15:0 18307343.0800 15959317.6200 17211553.2900 9536390.4260 13575314.0100 10275894.3300 1594574.0310 1304432.7750 18153501.0100 18515415.8100 9879642.4170 9179703.2690 8099400.7060 9914809.9420 10382710.1300 7758555.4760 10568665.3300 9776344.4540 11079600.8500
Phenolsulfonphthalein Phenolsulfonphthalein 1194791972 877550617.2000 1253754628 504340738.5000 516073557 517655125.2000 383632130.1000 375678722.6000 473989106.2000 494703161.1000 232777972.8000 269967391.8000 276138728.7000 286912223 304578671.3000 371573438.6000 554119900.7000 597760147.4000 530116214.7000
Phenylacetylglycine Phenylacetylglycine 55247136.3100 52590460.5000 64069930.7000 93654978.9800 63265734.1900 65562814.2700 86399337.4300 89266134.5600 54131860.1100 54772779.7700 119419273.5000 107706932.2000 108006381.9000 104246070.2000 92506284.6300 62192621.6300 66134988.5100 66456061.8400 58163935.5200
Phenylalanine Phenylalanine 2544921349 2843420137 2661020018 2980013089 2957019864 3045890532 937873051.9000 1004360275 1287888527 1207181649 376155624 358513727.8000 369406448.1000 498011731.4000 458832473.8000 385900346.4000 1734210586 1675678636 1741392416
phenyl sulfoxide 44689799.1900 59322123.9200 42325440.0800 40925303.5900 67250048.2100 82097443.4900 80047080.1300 72305317.6400 74873295.6200 88672959.5000 33772022.5300 35710036.1400 40238700.9500
Phe/Phe/Ile/Met/Pro 11027813.2600 10160183.3500
Phlorin Phlorin 11921272.4800 13071058.8200 12606216.5000 6191952.1220 4737302.0670 4149532.0120 2584090.5360 2613217.8640 2093068.0620
Phosphorylcholine Choline phosphate 1538020667 637900411.7000 1329315555 183378197.1000 275799798.7000 225965170.6000 9996718.8930 20765796.6400 3260554.2150 2455935.2540 113205458.1000 232935294 271018845.8000 3598671938 4175601743 3229643814 1777383991 1969015320 1962685780
Picolinamide Picolinamide 665878183.8000 830159158.4000 798310962.6000 1239823975 958331109.5000 993136970.4000 1025935781 1148407854 1032351728 949777781.8000 2960148.9940 3326723.3450 6083676.0850 354881243.2000 335540252.8000 338181027.1000 674839423.9000 518335266.5000 367240884.3000 735874210.9000 658480906.3000 728476202
Pipecolic acid Pipecolic acid 50303628.0500 31845335.4800 38866643.3100 17175072.6300 25282926.1500 21931358.6600 6422171.2300 6226170.7140 7513935.1770 8567038.2090 1808883.8210 1669049.8290 1946068.9860 8996428.6820 8722663.3100 9199209.3740 6757036.9200 5902495.7720 6867994.9390 61344983.9700 58863367.4700 63149989.9800
Piperidine Piperidine 133666165.2000 151299982.3000 159108651.8000 135876364.9000 135839870.4000 133435530.4000 102186201.6000 99473409.7300 106407887.9000 107603958.2000 2139257.2240 73713743.4500 70513136.0900 67124462.0700 76221554.9500 68164829.6200 62995772.6300 82721381.5000 81882240.9300 85179474.0900
Proline Proline 2209598777 1723140090 2024401252 1279848967 1709418893 1699473987 3380339343 3388067237 3493818391 3490566747 1994810.0640 4013445.1270 4096375.9460 5124466936 4453775546 4588131434 4013233231 4119140857 4176862044 3170366655 3057037999 2910705432
Propionylcarnitine CAR 3:0 101294808 96026194.3900 89824056.3600 86666538.4700 96595856.3900 91057911.4800 10425592.6900 11074228.0100 12370307.7200 10326056.7100 65065289.0700 61351613.9500 49812891.5100 21341621.6400 30439572.9400 42941598.2500 98645742.2000 95010703.9300 101612830.5000
PS(16:0/18:0) PS 16:0/18:0 2162950.6280 1931961.4580 2203146.7910 326798.0331 3669131.3560 2214364.0830 6472062.4410 6345784.9350 4030331.8880 1104263.7860 2828113.2740 2379321.3180 2344774.1590 2516103.9230 2448787.6520
PS(18:0/18:0) PS 18:0/18:0 2379338.1670 2484667.6350 2697300.5000 5344953.5780 2870552.4390 20003922.2600 18953974.1900 11062440.8500 2079275.7980 5446443.2750 4902299.2490 4569920.4540 4557522.1880 5082322.7170
PS(18:0/18:2) PS 18:0/18:2 2684500.7580 2551364.6280 2614580.1520 1590584.7910 6025960.1770 4435756.0530 10385449.1600 9052034.4670 6855015.2760 2238871.3810 4547174.0690 4351259.0160 3430346.7480 3543501.6320 3931722.1230
PS(20:1/22:6) PS 20:1/22:6 2271752.4300 2293790.0760 2835328.0650 2335981.5630 1125328.4730 956007.6437 922038.6586 1017468.5750
PS(22:5/22:5) PS 22:5/22:5 5269316.6380 4735235.1280 6653704.7520 2023895.6900 993651.3298 1331815.1890 1555450.1630 1450301.8880 1740230.5630 2021284.0330 1251883.0800 2585504.8700 2487033.0440 2449341.3590
PS(39:4) PS 39:4 1647699.5380 1468798.5940 1444474.9960
PS(41:6) PS 41:6 815139.4861 1165578.0010 1246431.3450
Pseudouridine Pseudouridine 4321870.3730 5463541.5330 5228043.6800 2747939.7790 2816476.4720 3123053.2630 5936749.6810 4969815.6780 6824496.9000 7457604.2920 5765815.8930 6461214.7510 5623840.1550 6577576.2420 6409960.6120 6122262.8110 5645036.9710 5422211.8200 5121630.0250
psicoselysine Psicosyllysine 29021961.7100 25137571.7100 49460685.1400 6550911.4910 1765385.8190 1407708.8240 1251603.7270 2539079.4940 2880820.2840 2631023.2890 392833.2060 308502.1279 306242.5553
Pyridoxal Pyridoxal 16329087.7600 19307871.0100 14544892.0700 30422707.6700 26985075.3200 31362815.9600 783077.1994 666679.3790 627416.2322 17545372.3200 15545307.6600 16923396.6700 11056307.1900 19279805.6200 20640864.5400 27082556.8700 24219953.0500 26762336.6300
Pyridoxine Pyridoxine 1828696227 1884864241 1823290531 1667258021 1323370964 1195116981 583396561.6000 580414622 719172077.3000 768526661 172418646.2000 226778981.6000 217997736.6000 320502060 276929675.6000 232162843.3000 794941499.1000 870805924 847724476.6000
Pyrogallol-2-O-glucuronide 1113755.7710 1258121.5310 1485857.6700 3678760.7980 3450328.1280 3269397.8650 2690893.6220 2888253.1660 2610623.0020 2295486.2370 2309754.6560 2580801.8310
Secologanate Secologanate 2154480.0670 2218733.2480 3676667.6500 628972.4699
Serine Serine 44350680.1500 29903709.6600 32329837.6000 15647785.8800 6035943.6740 5728827.6310 2795201.6380 110099435.7000 118736573.3000 117318727.3000 794366.8744 452130.9476 2225992.8410 2826028.0520 2438037.8760
Slaframine Slaframine 5604023.5010 5644071.5070 4996572.8230 6013421.1460 7793261.1810 8636916.2510 2309847.6200 1766191.5710 1833565.6860 2201823.8510 1604309.1200 2124399.6390 2257618.4570 4713491.1180 4831450.8520 4292554.4230 2989769.2880 3130877.6450 3720221.1910 5747260.9620 5465093.7630 6016201.4840
sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 1204978.3620 887491.4241 825703.5277 626271.3164 1014914.1180 895834.5310 2290715.0170 3428173.1670 3709395.9210 1700249.1910 2240719.7250 2866584.0920 1940256.9190 1997032.8880 2174215.1390
Sorbitol Sorbitol 65047396.4000 47813107.9400 60709435.0100 24608719.1200 37641059.6800 32034855.1200 103070959.2000 153480561.5000 210401861.4000 194141550.4000 59366342.1700 54297480.2800 53578957.2300 92584676.3500 82262389.5300 69188626.0900 57284991.4000 57056019.6700 56183391.7100
stipitatonate 11228028.6700 13198185.6200 7885707.0360 5217123.9810 4409730.9970 7920908.3040 8835062.5890 2943619.5210 1981378.3960 2377478.8120 3649287.3190 4890824.6030 4866469.2600 4865311.6870 5290868.4940 6263288.0980 4706275.7430 4614221.1400 5033591.1390
sulfonic acid 5712955.5850 7917861.8270 1737090.1390 1115148.0590
Targinine Targinine 3662598.0650 3495832.9570 3519046.4840 3641303.1860 3015940.5140 3363901.7100 718618.3701 801279.3797 932538.9411 922127.2505 1275263.6740 1485448.6110 1351010.1110 1385820.0600 1159553.0290 1099719.9430 2012766.2690 1930236.6780 1984521.7620
Taurine Taurine 64227217.8900 59662155.8000 52276159.5200 67756821.0400 59116932.0200 57696761.4600 805891.4365 3563688.0800 2841367.0470 3116079.3470 16382419.2700 26413308.0400 21189956.3500 14019635.0200 18376534.9900 22169787.4100 32086956.9400 29142942.0100 28372803.5000
tembetarine 1074758.4920 946956.2004 836662.2787 984833.4655 731080.5801 650221.4853 3543144.1300 3716790.8680 4571824.5120 3959864.8370 1431892.8860 1811638.2730 1786186.5560 2875246.7120 2627168.2070 2136724.9310 1311253.3590 1004401.0960 1034622.0630
Tetracosahexaenoic acid Tetracosahexaenoic acid 25978473.8000 30484936.9100 5868454.1180 817176.8443 2713904.3960 1005518.8590 919225.3839 1130010.4370 1164546.2980
Theanine N(5)-Ethyl-glutamine 29835866.6600 9043240.6790 20842738.3700 4062587.9840 5135183.1910 4964625.1840 18822709.6900 29757866.0200 31830891.1900 30706243.7900 23547101.6500 42050190.3000 36664100.0500 30422297.3000 28999916.1400 34215456.8500 26322914.0300 29987730.7600 29155785.6200
Thiomorpholine 3-carboxylate Thiomorpholine-3-carboxylic acid 42996759.7900 48552153.5700 363364389.9000 358078090.7000
Threonine Threonine 140184642.5000 67572348.8200 107097884.9000 31046198.9100 38129406.3300 40281760.3400 58784772.8900 263839851.9000 306457911.8000 286897062.5000 14443065.5000 23402129.5000 26863102.1700 32506962.4700 34420689.6100 35080303.5900 125634115 135895722.6000 122440612.6000
Tiglylcarnitine CAR 4:1;2Me 602135.1087 807536.4281 952181.6755 1001356.8920 992743.1411 827187.3728 772081.9142 467735.0472 793671.7333 688691.0437 8506620.3430 7428494.3350 7399284.3800 2235717.5200 3131869.7220 6204592.5660 2909243.8760 2732357.8630 2296143.6250
tirandamycin E 5888545.8540 5942001.3190
trans-2-Tetradecenoylcarnitine trans-2-Tetradecenoylcarnitine 9386808.1750 8483585.5160 7978871.8850 5341305.5650 7373439.2920 7479341.0860 609064.7389 3223387.7750 3128521.5960 3532367.5580
trans-Hexadec-2-enoyl carnitine CAR 16:1(2E) 48800254.8400 49355052.4500 37899143.8900 33849441.1700 40783991.2400 42706052.9600 16585122.2700 16502212.9200 19666441.0100
Triethanolamine Triethanolamine 1418012.7270 2510976.4800 1547399.5010 1612131.4340 1872967.7490 1308199.7190 2258323.3060 2481610.7090 2081429.0720 2296390.4280 3356187.6320 3275337.9950 3925416.1400 1703525.7950 1554970.3900 2053487.1050 2185754.5890 1159839.2670 1250135.2430 1524950.0250 1528632.5070 1552188.6910
triethylene glycol 4021892.4920 3290869.3730 3230682.8630 4392704.1030 3113778.3300 4755935.3740 3787037.7700 4062912.5480 2804732.0720 3148252.2220 2459716.6370 2432363.1430 3172000.4560 10972759.3500 6609615.1890 6873855.3040 9826071.7700 6538627.7890 5642405.8400 2851348.4510 2049498.1320 2100676.4820
Tryptophan Tryptophan 546398947.8000 498117233.6000 545843169.2000 216863359.9000 245550460 234425124.8000 111531091.1000 118316659.9000 158119732.1000 154627258.3000 33559839.8300 29687038.4000 32616754.0800 58336758.2600 45987839.4100 43978393 240543964.6000 226363491.7000 232985077.3000
Uracil Uracil 9981574.8250 9564370.7220 8450623.8210 9238648.1960 9116725.3300 9603201.1750 3352490.1270 4054042.1990 4348696.9960 3927453.2090 950373.8525 1172725.5290 1285246.5160 2226680.9560 1873202.4620 1183852.1810 4425803.4190 4461447.0600 4792325.0850
Uridine diphosphate glucose UDP-glucose 11377412.6900 5915943.4910 7258062.5030 4169033.2350 6272119.6550 7187706.7090 2955308.8650 3675083.1080 3636307.8430 3406644.6730 4716977.3900 5086094.9530 6668348.8450 5919750.5440 5372193.2140
Uridine diphosphate glucuronic acid UDP-glucuronic acid 8432009.0490 9043808.2030 7126233.1670 6896409.7220 6035908.3630 9152110.2620 1267938.1220 964343.9690 1054241.2490 1354310.2470 1301939.1040 2029391.2860 3847135.6400 3766685.4750 3592094.3910
Uridine triphosphate UTP 329694.2557 718494.4571 235820.0616 637162.8800 281129.2632 1076166.4000 472874.8507 228855.2393 415942.0415 256237.6477 146062.4142 591978.7015 375312.6006 384364.5615 548976.6031
Valine Valine 1669032232 1542201753 1648651717 1147394266 1212730898 1122154049 842051146.4000 844292999.7000 963730308.7000 960581563 48148115.1200 65321865.7800 50033510.8000 340200219.4000 346163354.5000 359715639.4000 485802962.6000 433014307.1000 360705076.6000 1238426096 1265207042 1259167733
Xanthoplanine 4357381.1950 4323947.8510 4435258.3250