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
10-hydroxy-undecanoic acid 1380851215 1248365923 1225089511 310929747.9000 525602947.9000 401167798.2000 5851596.8190 5888252.7790 370717612.3000 611417282.3000 5359379.1320 13556051.3600 17707603.6500 144499780.9000 106635558.3000 66731412.8500 41416498.9100 46327237.8800 51884637.0900 232422158.8000 269231679.9000 320097976.3000
12-epi-hapalindole F (isothiocyanate) 1178839.2550 629740.3612 1096838.5020 6091373.6060 7393143.0790 7608805.2980 1728556.1820 1638104.5370 1921314.1200 2105114.2210 1730348.2390 956537.0063 1075574.4620 1116594.1820
1-carboxymethylpyridinium 174169.7420 161400.4900 3494446.8060 3941267.9090 3867875.8460 3842554.1740 355466.9209 153291.0913 219825.1391
1-Nitrohexane 296566583 326816310.3000 318866797.2000 279305836 302926853.4000 304483269.8000 135034596.2000 147444545 151075072.7000 157052788.6000 3695859.9440 9848628.5820 23787820.8100 83791130.3900 87143597.9500 88084928.6600 91347029.8500 87349496.4100 82327537.6600 158472660.6000 160423267 167275839.2000
1-Pyrroline-5-carboxylic acid 1-Pyrroline-5-carboxylic acid 9344626.1430 8907066.0370 11608716 4999992.9240 2098404.3620 1986633.3040 419228.8714 234436.3769 484410.1074 703775.9421 847458.5030 1161165.3780 1862553.0870 600507.9763 947406.7597 1061816.5960 1598259.6520
1-thio--D-glucose 240338.5326 294797.9748 278325.7128 305660.9657 153674.3349 136557.4867 218266.5842 1202956.2840 1367001.7970 981334.5724 217247.1601 237296.2333 347084.5117 356287.1542 397885.4604 517938.2703
2-C-Methyl-D-erythritol 4-phosphate 346670156.3000 288688723.9000 321627301.6000 251445367.1000 190026959.7000 199793914 215819220.3000 970218418.2000 991304264.9000 972657508.4000 10370822.1800 15983974.7000 19017947.5400 116782909.2000 114674224 71096942.3400 139443506.4000 146836980.2000 157878758.7000
2-Dodecylbenzenesulfonic acid 2-Dodecylbenzenesulfonic acid 11361102.1400 8978259.8800 10176380.8200 11563580.3500 15511460.4000 11091582.3400 18115982.6200 18378686.7000 43514416.4500 51428345.9800 18911738.4100 7097684.1460 31216363.4500 23497455.7500 8607465.2680 7806638.8370 11661529.8700 11372613.9500 12287882.6900
2-Hydroxy-2_4-pentadienoate 2-Hydroxypenta-2,4-dienoic acid 8331692.0770 8002924.4680 8426585.2390 7701177.8340 6588049.8850 7566256.3820 7182746.0270 9447427.2150 10169147.5500 9218423.1230 641781.1617 624609.5929 757361.7094 3425496.4650 2513573.2040 1829011.8500 4266705.3900 4498916.4030 3932237.2000
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 7443412.6850 7744715.1670 6359817.8130 7791968.4620 6329679.5390 6475339.2850 863585.6000 838952.7189 642488.5464 516435.5026 734648.6366 760552.3065 3517257.8450 3652661.0740 3723883.3260
2-Hydroxy-4-(methylthio)butanoic acid 2-Hydroxy-4-(methylthio)butanoic acid 2933042.6090 3375120.1620 3318822.7450 4084789.3470 2440609.9460 2590152.1780 1310120.6440 1446385.6080 649534.6430 3756245.6800 4952210.4250 5112472.6960
2-Hydroxycaproic acid 2-Hydroxyhexanoic acid 5297207.0550 4296708.8500 3418432.3080 5124288.1320 4956205.2670 6477221.0010 1202790.2100 1251802.0020 2136484.3450 1749532.0350 391741.2422 5510028.9890 4370535.4460 4605749.3730 1943656.7240 2953562.6330 3847031.1980 3527574.8360 3786591.9060 3682286.7880
2-Hydroxyglutaric acid 2-Hydroxyglutaric acid 20271019.5800 11880868.8400 13918386.6300 9093852.2810 5268936.3760 6007647.7180 3978273.0160 3814779.3760 3710482.5830 930429.4501 883368.9379 828488.5091 830491.4603 749622.1201 1043407.8640 2390707.5080 2459189.6000 2831896.6530
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 4710080.7750 5335435.3560 4158344.2170 3880053.4010 5014084.7890 5423971.2500 311100.1932 275626.8896 227302.9755 117185.4170 133500.2242 155840.8756 1968938.3200 2013158.1470 1924583.3800
2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate 2724423.7110 2645413.8760 2344978.2810 3133588.1730 3836636.9710 3705835.6520 535874.3783 7097288.0550 3962204.4640 4446088.5870 2645121.7850 1849808.5240 1913364.4610 4706125.2020 3759517.4160 3671114.1190
2-Methylacetophenone 2-Methylacetophenone 546148.7383 6068742.2720 282101.9719 1435875.9280 310914.3766 1084339.3520 1546790.6710 614373.8122 672465.6320 474137.5003 689955.6285 739107.0749 473731.6811 377956.6697 531626.3142 478401.2476 508258.3526
(2R_4S)-2_4-Diaminopentanoate 2552196.3020 2748254.7930 2811745.4350 2367294.9710 1799531.2600 1724564.0700 5263009.6080 5422526.3640 6151951.8850 6004909.1890 2550634.2140 2875438.5100 3032364.2620 3632237.9170 3183711.7190 2748143.8130 2072851.0560 2078779.0320 2106789.3400
2-trans_6-trans-Farnesal (2-trans,6-trans)-Farnesal 15844281.5900 21534120.7700 18422224.2300 30467626.7800 28556436.5400 29413262.5100 30735307.4700 32669580.5000 15870668.6400 17578999.1000 1178839.8220 1390721.4610 1419681.2340 47089848.4300 41279308.7100 40067228.2600 44171904.7400 40817316.4800 36982834.2900 25524781.7100 26324708.1200 29099719.1100
3_3^-Thiobispropanoic acid 3,3'-Thiobispropanoic acid 4457040.8030 4306373.7430 4761242.6690 3048528.1360 2411397.0950 2696595.7270 1758358.8690 2015743.8260 1733768.4840 1867417.0750 842828.5689 1299402.8660 1221094.4090 1382441.0550 1370195.6090 1028166.1560 1748463.8550 1729545.4970 1916068.8750
3^^-Chloro-3^^-deoxytriphasiol 119568809.9000 142523042.7000 185478407.2000 55215252.8000 27833823.9300 26839425.0300 108586716.4000 133728337.2000 135181757.7000 157505213.1000 4215336.6420 4621622.9670 6432460.5420 6094863.4010 6050035.1760 3883332.5930 14153441.7600 15584064.2100 18344824.2900
3-Dehydroquinate 3-Dehydroquinate 8811000.6700 8565401.6830 9282788.0410 2897031.4430 3365986.3770 3086640.7010 3728666.9850 4717647.3490 5080718.6690 4337960.0510 2290861.3010 2792230.0490 2757014.0840 3229368.0500 2960256.1200 2642331.8450 3991977.3270 3821445.4970 4448167.9480
3-Ethylmalate 13649505.6000 12746153.4100 13355852.4400 10610878.7500 9885259.2740 9687351.4530 8342419.7860 11777376.9600 11304535.3000 10598070.0800 1932070.1840 4003431.7510 3525265.3880 5490469.0020 5652299.0490 5151038.3500 7078400.1420 7335386.8620 7340837.5300
4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H_3H_7H-furo[3_2-g]chromen-6-yl}-1-hydroxy-3-methylbutan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-aminobutanoic acid 3202558.2870 3830158.4180 5720398.8930 679747.6316 207308.6055 180434.2556
4-Hydroxybutyric acid 4-Hydroxybutyric acid 5482046.5690 5326336.2190 5015507.9680 6514213.9090 5385627.7310 5757699.1110 1845365.3250 1742305.0570 1604348.7450 1874979.6590 352786.0701 1144891.3050 1370831.7520 1296296.8460 1440926.8530 1351057.9910 1259211.0210 2847100.9060 2630234.5230 2778986.0040
4-Hydroxymethylphenylhydrazine 4-(Hydroxymethyl)phenylhydrazine 663253.1736 691695.9278 723258.6612 732758.2526 541311.1240 504358.2054 1017308.9130 984048.6412 860205.1388 850458.8619 391312.7878 468398.5047 633097.6945 779867.2632 643671.2087 491797.5202 478878.0753 499063.8534 496081.9987
4-Hydroxy tolbutamide 4-Hydroxy tolbutamide
4^-methoxycyclopenine 1307971.3420 1600283.6020 2496645.4940 2458517.4180 1651184.8950 1924152.6220 1654402.0370 1874394.0090 1891849.5120 1828372.8060
4-methylmorpholine N-oxide 199554928.8000 204956159.6000 215390770.7000 173123241.3000 155375893.7000 151188482.8000 42809989.9000 48131080.6600 45600468.1500 45563992 2029840.5110 3096716.7020 10824739.9200 12695131.2300 13299374.7600 13561002.8000 19317044 16015895.0700 13729938.0300 82598186.0900 81043919.2500 89581303.9300
5-Dehydro-4-deoxy-D-glucarate 107716464.1000 128344870.4000 86846497.1800 48151314.6300 40170328.5400 88444638.2300 67224873.9500 222967611.2000 154904390.5000 178544853.2000 740676.1688 620824.6154 827688.6023 24883089.7300 37878192.6200 36400415.5900 34446621.1200 40298358.9200 47256290.7100 39745476.1400 37997889.9600 37107874.5800
5-Hydroxypentanoic acid 5-Hydroxyvaleric acid 19125317.4700 17366020.1600 14744306.1100 16109553.1600 14191149.5200 14491520.3100 10099302.7500 10641109.6000 12271480.7900 12122339.0900 443771.2812 535591.8567 490654.0412 9909141.7050 12428089.1200 12177985.0600 8291372.3920 10953371.5900 13777702.5100 21744178.8300 26851185.7700 26178066.2300
5-Pyridoxolactone 5-Pyridoxolactone 887387.4182 918252.9804 927936.2389 828106.5752 637852.6219 718264.5268 529378.3588 490482.8555 548734.8890 546688.8664 445083.8555 306621.1998 405811.3775 409277.1857 395157.6729 400976.2336 333185.1829 374391.0809 384002.3990 438454.7687
5-Sulfoxymethylfurfural 57763694.3500 62317579.7200 57465379.5500 60100278.7200 42082016.5000 42359718.1100 5350411.2460 8877730.8930 6929521.8060 5326169.2780 8330758.9530 11154704.3000 20372344.2200 19408541.5400 18023609.3300
ADP-Mannose 331275.0193 363154.6177 301799.0606 385493.2875 280821.2055 350477.9107 315736.1312 413734.0999 509644.5515 316564.8446 370598.2454 494612.2526 256938.2571 301485.1209 341904.6220
Ala/Cys/His/Asn/Gln 5075897.7220 5721737.0350 5905174.3660 3837981.8020 3527137.7730 3388186.3060 1926961.9510 2427476.6570 2531037.3950 2290539.6490 2117038.4420 3003631.5670 2749179.9920 3187657.2000 3289039.2190 3187797.4030 3061433.0250 3585697.6390 3482582.9340
Ala/Ile/Ile/Val/Val 674632.2882 930290.2226 730498.3648 1323791.7700 1208857.4280 1187691.4530 1716103.5930 1621697.3070 1799906.8830 1600499.4750 6025024.3230 5564413.0350 5170989.8160 1769420.2470 1735016.0800 1816178.5600 1549643.4590 1770647.4540 1563704.8760 1008453.7640 1181725.0540 1117709.3650
Ala/Leu/Arg/Arg 25761972.5300 29545727.9300 27250891.5300 40839507.5100 38829386.6200 39017555.2000 59376646.8300 52308922.6900 58602511.9600 56383845.0100 202031067.6000 211902707.2000 187675536.5000 67069416.6400 56562333.7500 65753161.7900 61410927.0100 61733215.4100 55570165.5700 38094217.0600 38066054.0800 33826989.1800
Ala/Met/Thr/Asp 205341.3690 228351.2336 9418782.5370 8850985.2830 11161471.9000
Allantoin Allantoin 1562352.1470 1567038.1710 1389485.4940 1980648.2160 1349196.8780 1602084.6570 1773859.1110 7409259.5210 8329131.7780 8186689.6000 1318064.6390 1506308.3510 1477782.1340 1624509.9730 1637773.9310 1606922.4690 1213415.8970 993890.7299 1091777.1900
alpha-Irone alpha-Irone 2082245.2350 2447177.6100 1357178.7070 1569775.8920 2340115.0610 2539887.2400 10024413.4000 10584940.7700 14465209.7300 16998918.0300 3528474.4860 3730579.5950 3673273.5280 2088617.5050 2275826.0160 1673399.1260 2788604.6810 2090330.3550 3109784.2350 2185736.7810 1878549.1060 1841651.5210
alpha-Ketoisovaleric acid Ketoisovaleric acid 165672863.6000 180184585.7000 133032518.3000 197550488.2000 155128255.3000 177951953.1000 1025284.0110 743226.1890 1404505.6980 1357826.7330 584309.5732 824545.6387 852723.7281 29160354.0200 28333785.3900 27406812.8300 12633534.0600 16175229.3900 32374786.4700 74002779.3300 96112894.5000 91451820.8100
a phenothiazine 120222.5384 1377960.6610 283114.7923 3592466.8390 3566155.7300 4043812.8530 227682.7541 110982.1102 445745.4037 241687.4461 144454.9309 172497.8991
Arabitol Arabitol 2946338.1160 3642967.4660 3055646.2870 3420925.7800 2793791.4160 3165152.0210 6836675.8590 8047023.4050 8604176.4060 8274855.1630 5972607.2150 8317729.4470 7849132.2950 8635532.8480 8161959.2420 7746975.8100 5001416.5210 5297497.3470 5165244.3560
Arachidonic acid Arachidonic acid 1871451.5060 1514900.6110 1555441.4710 1305621.8430 1239896.1540 1543788.7160 13634371.8600 14720923.1400 19256316.0200 20531968.1300 550009.1960 643203.7403 699988.5825
Argenonic acid 36909582.7100 31640859.8100 36222103.2100 6430898.4060 12419488.2400 9494360.6510 15080979.5000 18127655.4400 2041268.5880 1893119.4350 1768565.2090 2532194.0590 1917431.3420 2078107.2620 4574599.0760 4060458.5870 4870845.6800
ascr#24 11875166.7400 10718537.7800 10283913.3800 10237181.5900 10190502.9900 9945749.6670 17270790.3200 18580147.3900 12154950.8000 14646341.6200 8697239.2850 7633712.5250 8315852.2230 8747077.0840 8945553.7800 7784501.2900 6628464.1980 7763997.0670 7388517.2880
Asp/Arg/Arg/Thr/Tyr 524561.5279 776290.8489 452321.4850 679852.9595 822774.5922 2205892.2100 3296369.3340 7296311.3310 7322415.5050 447195.6881 489843.6808 521888.0099
aureothricin 99336.8881 102730.7251 96463.2436 123179.5280 852415.6507 1027934.2950 925268.2986 413150.7760 417548.8310 450795.0469 307659.4539 356041.6105 324836.3162
Brassicanal B 277785.3323 402704.2833 334987.5744 410638.0042 381523.8603 480251.3241 556254.4749 652236.0437 632553.1271 704464.5841 1963613.3950 2108749.2000 2310244.2570 634865.2378 567994.0690 533458.2689 618893.6655 551444.9987 559167.7651 368584.8100 437003.0733 421366.7132
Capric acid Capric acid 28158385.5600 28072531.6700 24440062.1200 22024300.7100 26839762.9200 27973892.1900 11120138.4800 11905481.9200 12499332.9800 12697293.3800 6379552.4110 7328408.7990 6509324.4890 10533404.3300 10898025.3500 9411827.1220 8998843.1440 9137694.9430 11178169.9400 13990762.7500 13148463.3500 13649612.4400
Caprylic acid Caprylic acid 9596423.7890 12126337.8600 11827436.3400 12485776.3800 13975590.3500 13775349.1000 10494723.8600 12904050.1900 5864233.2350 6278563.1280 4148261.5780 4722361.6850 5192428.1560 6556605.7280 8037733.0570 6259775.5950 7348612.4810 6440639.5870 10256002.6200 6981969.4070 6905292.2430 6265388.2740
Carmustine Carmustine 1923020.3600 2321682.9650 2591850.4160 1558248.6610 887644.8755 1285152.0190 738225.0658 435310.5596 647697.2005 645186.8144
casuarine 1214296.3440 1226932.2970 1134250.7830 1263367.4540 1456869.9520 1612708.5800 679376.4828 643829.1474 660628.8981
cis-Acetylacrylate 2492521.5090 2776704.7680 2606684.6810 2594280.7780 2341022.6100 2302204.8740 2254903.6610 4503919.5820 4829607.8210 5147134.7670 604266.2211 1142570.5640 2398292.2670 2611854.6940 3115544.4930 2985378.8740 2778835.9590 1804270.0800 2085626.1150 2236750.5700
Citric acid Citric acid 13326602.6700 14410943.5300 12444421.5300 17083052.4600 18072560.8900 18432459.7400 5426702.7750 8954927.8410 26236311.8400 16365342.0900 1153769.5150 836510.9903 885669.1392 3025142.6040 2786923.6580 2812024.7850 3236297.9050 2879724.3290 2790201.8960 16023248.3000 13995767.5900 14387329.1200
Cyclovariegatin 10144725.8400 10239249.7400 1190190.8950 1030680.9320 1191883.3490 2646919.5710 2499107.5130 1824852.7020 1056390.3730 1717885.5630 1161643.1660
Cys/Lys/Lys/Gln/Arg 3721675.2150 4509084.9130 1459825.6550 453848.9348 959098.7514 381606.3534 216536.9407 289494.3048 276758.9317
Cys/Met/Met/Met/Trp 668200.3936 657123.5748 710027.0315 665978.7636 946238.4440 1007451.4390 1376529.1600 1362769.7460
Deoxyuridine Deoxyuridine 664658.9607 770937.8327 814069.7041 978122.8457 112662.8394
Dodecanoic acid Lauric acid 36494181.6800 42665084.3200 36938435.9700 36605863.2100 41437764.0300 40309193.1300 30423246.1400 28932675.8800 30101146.8900 32088302.1200 12136915.6800 12330547.2600 12217113.7700 18387846.2200 16065533.2800 18056661.5700 17079167.8500 14276832.7700 16175885 25425497.4200 25017454.5600 23412651.6900
Ethiin Ethiin 5345932.4130 5671114.2950 1466428.2420 501643.0121 837559.8899 252578.7627 217085.3926 179135.4153 200729.4722
FA (18:2) Octadecadienoic acid 5596193.6850 8015357.6330 5375914.2410 4928545.9850 8925281.5630 6855883.4950 9868513.5200 8361304.0660 15036622.8400 16002107.9600 1417523.5570 1324572.8440 1160123.9210 4156338.4060 3854509.3680 7371549.1010 3571727.0430 2456725.1380 3370767.0500 8003043.7140 7914237.4220 8359353.6320
FA methyl(14:0) 7707006.3630 10376029.2200 8562745.0130 6567279.2630 11153369.8100 8039261.5160 15513473.4400 15020692.0200 19067888.0700 21358243.9000 2123114.0350 2195879.7470 1925127.2250 7590330.5990 5882092.8510 7748160.4490 6715359.7660 5284373.7180 7566772.9270 5632067.5360 6199513.2700 5443318.3690
FA methyl(8:0) 39848879.1500 46598125.2200 38505040.6800 27839968.6700 36203725.8700 31065725.8400 33976692.2900 34895574.0900 28721862.1300 33286898.3400 33352358.1000 33143614.4200 33544613.1700 32045843.4200 27103190.2700 25062733.2400 28866260.3500 24136945.8600 27833243.8700 16196804.1800 15529889.8700 15139532.5400
FA oxo(16:0) 3017846.8910 4174824.9170 2560084.0630 2918093.8010 3558939.3630 2730873.8740 2672576.2980 2254670.8050 3804450.1810 3267949.2180 641405.1502 532076.9068 1803556.4290 1071665.5150 2042805.8530 1303806.6630 1286895.3180 1187787.0280 2314695.8100 2022471.7890 1846266.5680
FMPP 142333.1359 214011.8557 170879.3333 206568.9114 259344.7357 150693.1124 158749.0565 162523.5240
Fructose Fructose 41341373.8000 51392783.7300 48202229.4100 65713351.5600 55716694.9500 57010978.3800 44768998.3000 47740726.8800 49600608.7200 47816018.1200 3716868.5330 3442999.6350 3627179.9090 16395431.9200 11500334.3900 8780900.6540 26698468.1500 22957567.9200 23931543.3100
Galactose Galactose 14407794.8700 25611135.8800 18084862.6800 27748916.6200 24424354.5400 23809024.4000 13684143.2600 32051732.0900 34643451.5300 35176177.9600 7779709.9540 15804588.5900 13994716.5500 20833438.3700 20587003.7700 17423153.9000 11830308.7500 12056513.0900 12431901.4300
gamma-Glutamylvaline gamma-Glutamylvaline 3725993.4630 2920319.8490 3408855.0980 1086681.3580 1061570.2300 826658.2977 330270.9249 201563.6687 447006.3978 320732.1570 284758.2903 341367.0177 264239.2667
Gln/Leu/Lys/Tyr 227972.2479 794412.0778 757847.3143
Glucosylsphingosine Psychosine 3381174.0240 3814539.1220 2865487.9850 3057845.9460 3273689.2410 4148489.5690 1516267.4500 1436148.5400 1511892.7220
Glyceric acid Glyceric acid 1870727.8780 1492719.5840 1669197.4150 528865.7638 623059.2639 796617.1653 987569.3675 983057.1250 1155476.6160 1186854.4230 686781.4317 813038.1729 918810.4853 960570.0654 866132.7346 974305.6767 1115912.0150 1024554.5990 963380.6074
Glycerol 3-phosphate sn-Glycero-3-phosphate 11798755.7500 5132534.8850 7184622.2510 2355280.9150 2777673.1350 2985574.2380 319788.5402 273646.4616 381280.0345 5264035.0850 9991996.1470 9916997.4120 4971623.3820 5930327.7380 6958436.6900 5851471.6190 7248911.2810 7786658.5610
Glyceryl lactopalmitate 664576.7130 622908.6221 627966.9591 306961.4281 297288.0433 456227.9402 169759.8613 196721.5221 159549.0450
Heptadecanoic acid Margaric acid 9773782.0190 10664242.2900 8329062.7420 6641408.3600 9605951.5580 8486357.8530 16843225.5800 15859239.1100 25064275.2200 25090311.6800 887647.6087 1041058.0480 845322.4406 7471312.6900 6286086.2320 7154883.2700 7381740.2710 6779827.5150 7121479.5150 6844846.0040 6256146.8380 6292850.4510
His/Met/Phe/Gly 783757.3096 1052701.5800 1071141.9270
Hydroxyphenyllactic acid Hydroxyphenyllactic acid 17291535.1500 17262750.5900 16175527.5200 16157190 15431597.9300 16870474.7200 4083522.0140 4592578.6300 4782203.4290 4523133.9650 8186694.3880 9354444.1560 9422711.2060 4158342.3790 4613446.2730 4593569.3820 13558636.8700 14131065.5400 15376593.7600
hydroxypyridine N-oxide 1269229.4540 1228263.9790 1065744.2910 1125318.1580 1231346.0930 1459724.7720 49083.3269 86754.1462 67206.3430 69294.2436 173166.0283 86923.3650 79325.0341 69006.3934 60984.6964 64840.9188 65618.2207 632384.3097 673591.3124 668504.8207
Hydroxypyruvic acid Hydroxypyruvic acid 2290453.2120 803075.2254 1017376.5020 549308.3891 387250.0690 351102.8086 504434.4446 1173059.2810 726791.7821 619517.5224 306428.6206 307065.3172 384478.8551 255529.1654 282331.1443 238119.3372 267955.1044
indole-3-acetyl-isoleucine 4811646.4500 6051175.9150 7631514.8290 2567875.8120 1655241.9780 1274770.7060 4491643.8760 5297911.9930 5637628.6360 7024874.9840 426785.6956 426704.6198 597019.8410 696499.4596 1059691.2790
Indolepyruvate Indolepyruvate 299376.1479 332379.5279 279218.8894 455860.8045 352202.1231 388155.3177 116896.4501 341768.9212 385172.3501 380832.9807
Koryoginsenoside R1 1190542.3860 1056283.9290 1260766.8210 351105.1479 349115.6958 328666.7245 360038.8010 203063.9087 335392.6150 397503.7818 439688.7557
Lactic acid Lactic acid 936012698 1035652397 872927569.3000 1295420049 1022579099 1015106097 110860340.7000 106462932.7000 102430375.5000 105449026 4188376.6290 7387791.5800 23851387.3100 742415090.8000 762728466 768522571.8000 619078264.7000 670266288.3000 599246825.3000 745715075.3000 705258066.9000 683862586
Lys/Lys/Lys/Met/Tyr 3744923.1580 3607284.5670 4839264.5900 810987.2030 751318.7161 2265932.6360 3227943.6800 3187721.7670 4267419.5520
Malic acid Malic acid 343389461.7000 262090056.5000 292076328.1000 220267139.6000 238183572.5000 272523044.9000 6121764.9820 36501031.7300 22115716.1300 22019370.8800 47296647.2300 56274060.7700 59987549.9400 109537224.2000 163415441.5000 150152813.6000 165195348 153985507.8000 142983863.1000
Malonic semialdehyde Malonic semialdehyde 1468878.5980 1249443.4360 1277651.8420 1047384.5250 1199926.1650 1424161 393240.8212 643512.6508 670788.7356 606017.0121 493277.6143 603282.3577 407649.3771 518374.6854 549611.8338 576036.1108 581285.1069 662361.0142 766330.9935 970155.0799 905957.2109
Myristic acid Myristic acid 63023533.2300 67795225.8500 61363555.7700 54155359.0800 62679208.9900 56980276.5500 101337115.1000 105239428 120948215.4000 120932943.8000 8109544.3990 10117829.6200 9979308.0460 41862569.3800 38344154.4500 43733372.2700 42939855.3000 37747983.0700 44988209.8800 38989948.8800 37904009.7500 38875542.8900
N-(1-Deoxy-1-fructosyl)proline 1050822.6020 795501.3973 1239030.3080
N3-hydroxyethylcytosine 8027363.9270 6437577.7250 7561553.8620 5396398.1270 5706886.7730 6963947.5760 1313054.0570 15129637.2900 5953464.6760 8202499.1320 874246.3609 1360495.1070 1512677.4870 1136450.6400 1415028.4580 1498383.8820 2824803.4670 4281977.3190 6544984.2160
N-Acetyl-beta-alanine N-Acetyl-beta-alanine 1248423.5170 1559755.7120 1180337.3870 1121131.7600 1512813.3080 1355955.7790 12066141.1000 22729454.4000 22447400.1300 22744928.2500 35849577.7600 49997334.3000 46737435.7700 24498959.6900 29729502.6700 38986615.5000 7013475.5250 7254855.2730 7640048.9040
N-Acetyl-D-mannosaminolactone N-Acetylmannosaminolactone 27801496.5400 23286360.5500 21057970.5500 25080082.5000 10453125.3800 12090651.2200 571373.3645 349811.9737 498618.1023 329090.6572 1697211.8240 2299239.3000 1835843.2370 1324308.4420 1414849.5590 1416590.0220 4373429.0130 3145215.2990 3012129.3780
N-Desmethylzopiclone 671435.6954 1016712.0390 893910.6131 2060641.6190 1176761.4240 1207496.0240 1244360.5490 1410279.6590 1469337.7750 1369321.1340 1212389.5220 1105818.3120 1071909.4390 1496828.5440 1154056.8350 1101960.4570 763715.5429 759409.3390 765177.7325
Neryl formate 5070129.3430 4404433.6940 4864786.5190 2819835.9000 3571495.3190 2735754.7330 3526231.0090 3692412.5020 1781631.5950 1383978.5800 1322742.5680 1938065.9420 1600775.6790 1361659.3250 2035053.6330 2098126.1330 2107294.1970
N-Nitrosoproline N-Nitrosoproline 2749113.2850 823091.3290 2185123.7090 640990.3946 536714.8516 593302.6638 146686.8072 1432831.3390 1468590.1580 1574456.3600
Norepinephrine sulfate Norepinephrine sulfate 1095687.8410 975238.3770 1054773.6740 977108.2300 862875.5295 981951.2555 330846.2599 459702.3882 415336.1247
N-phosphocreatinate(2-) 1035845.3090 544173.0157 796770.8177 787471.7233 894071.0355 991288.6362 3439295.4320 6159626.5400 5318983.5460 1763206.0220 2952335.7700 3761903.8190 1652034.1090 2335785.5790 2137822.1030
N-Undecylbenzenesulfonic acid N-Undecylbenzenesulfonic acid 15261943.6800 11241141.1200 12669824.5200 15448947.7200 19817868.8500 12603629.1800 23926635.3600 23624031.0900 62071469.2300 64339478.1800 517084.4786 25601176.9100 7678065.9920 35451717.8000 31206527.9200 10687095.2400 9589244.0150 14918687.4100 14371034.8200 14187991.1300
octadecenoic acid Octadecenoic acid 35531904.3100 39529798.2700 35962636.3900 25894922.9100 41992822.6400 31024894.0200 48192723.4500 46770055.9400 67200870.6800 69783780.2900 1340167.2840 1830502.7390 1224881.9990 33108568.0700 25830109.3700 32334450.0300 23284056.7600 19275825.4900 21021332.2800 25161950.4700 25072250.2500 27257904.2700
Oxoglutaric acid 2-Oxoglutaric acid 61315830.6800 27893440.3200 36672673.7800 15858266.2700 14347952.3300 16126997.2900 1325224.7820 689716.6605 758090.9105 2629870.0140 3204169.0070 2639278.6050 6633708.5910 8377810.2990 8019473.1430 8435475.4260 8028257.4640 7876482.2290
PA(30:3) PA 30:3 1367650.8300 1812292.0720 1486510.5900 2906958.7090 2290824.9250 2263426.7510 3088666.8410 2831021.1280 2505186.4790 2341667.2710 4447656.7050 3397693.2650 4385864.2410 3770803.1670 3819403.4370 3908392.3450 2293400.9890 2139388.1410 2131855.3880
Palmitic acid Palmitic acid 845097173.9000 953338999.3000 796718627.1000 752279011.7000 959479917 790838611.8000 1357160518 1413144299 1350207515 1378774944 26979841.0400 34737444.1700 38512334.8000 759840274.9000 615866597.7000 764387053.4000 756325029.7000 646411273.2000 679007079.5000 601210018.6000 614150882.7000 606892650.9000
Palmitoleic acid Palmitoleic acid 8366871.9040 9049874.7660 10075387.8900 7353008.9920 14166658.0700 7242586.9660 10388930.2800 9984962.9620 13202110.7400 14097691.2400 640945.0921 631301.2802 4664569.6130 5001675.6310 6081277.8430 3150183.0490 2230881.3100 4925682.5970 3867981.8020 4303568.2780 4167112.2130
PG(16:0/18:1) PG 16:0/18:1 1840088.3720 2071463.0510 2758071.8640 479504.7745 2599352.3710 1461419.4870 8227955.4700 6868852.7910 5446541.9480 1305014.0190 2172377.6140 1777438.1020 2485294.8080 2470604.6420 2437289.3800
PG(16:0/18:2) PG 16:0/18:2 1924850.3030 1524877.2170 1845361.0570 391984.0234 2560031.7450 1725856.9180 4712668.8050 4172045.0580 3097024.9060 894444.5173 1898158.1440 1715807.9370 1579179.9170 1783205.4840 1769649.9190
PG(18:1/22:6) PG 18:1/22:6 5129646.5690 4581390.1070 5262988.7240 578208.1624 3569189.3010 2467329.2600 5364558.4270 4748935.0440 3545460.4920 1879373.8380 3153581.2690 2243896.4230 2861571.4040 2695576.2390 2825506.2270
PG(22:6/22:6) PG 22:6/22:6 2530514.4830 2551657.4130 3174638.7200 772103.3191 554854.5752 441243.5376 561509.5111 452935.2594 842639.9964 731055.5742 551761.2474 1126043.3980 1002420.0620 1062708.9750
PGP(a-13:0/i-22:0) 1318096.6570 1267289.4860 1392777.6210 998520.7978 874854.2315 379565.2330 467506.8999 357265.2797
Phe/Ile/Met/Arg/Val 2518147.2300 2320576.0450 1723401.7710 1963724.7970 1597424.2510 2499034.0920 7267895.8340 7081190.5540 8294635.1050 10160886.4400 658557.0258 739773.0930 856664.9684 1207937.8440 746778.8075 1021240.4570 1141185.6000 1266176.3100 1294892.8140
Phenol sulphate Phenyl hydrogen sulfate 7369001.2010 7086007.9470 7515363.7910 4062860.0340 2518734.5970 2825365.3360 485164.0290 671332.3265 1224496.5310 1138691.9830 1670009.4060 2047122.4750 2259056.9870 2154621.0890 2119748.7570 1526050.8160 2014068.1910 2617197.9610 2758843.4360
Phenyllactic acid Phenyllactic acid 2923382.0920 2474508.2820 2298793.9050 2571000.9160 2591537.0850 2253762.7180 1004800.7460 1063156.8290 1241174.1350 1101274.7490 2667789.5160 2849837.2180 2823015.4140 540107.7605 712415.4726 1369122.5610 5511215.9840 5587498.7980 7669467.1460
Phosphohydroxypyruvic acid Phosphohydroxypyruvic acid 1997013.7890 2248050.2540 1720253.7710 2673312.0780 2516629.2120 3970435.5490 5716113.9670 2860922.2880 3533463.6200 3902433.9520 3759789.7730 3799986.5290 4660329.4770 2810063.6950 2895263.6770 3236057.3750
Phytuberin Phytuberin 18387846.5800 33984202.1000 20754405.7900 29305943.1300 21747612.4100 22432690.4300 16543147.5200 19815798.2100 20220645.5400 18510712.2900 7735946.9000 8030261.8440 7397231.4260 24248796.9300 12626113.8900 16914914.7400 25408366.9700 12300417.2200 13337250.0100 15183906.5000 15459351.3200 16187877.3100
PI(16:0/20:2) PI 16:0/20:2 1899915.5730 2011387.0540 2279468.3060 829714.8542 3257218.3050 2281378.4980 14150921.4900 11156992.0100 7951976.6310 2968268.4490 6234730.5880 4796354.7000 3666441.9060 3285602.8920 3555464.2550
PI(16:0/22:4) PI 16:0/22:4 3553584.8060 3720012.3970 4359720.3350 1583736.6730 5178745.0840 3194906.3450 454841.6449 452246.0638 272959.2174 2862820.0640 2255548.5900 1762004.7540 841725.1746 1450970.6150 1079103.3590 3450757.0920 3162345.6870 3281658.0220
PI(18:1/20:4) PI 18:1/20:4 2314767.8410 2519244.1460 3113314.2650 727463.9687 2787306.9580 1483862.3810 2246591.9800 2097064.2470 1572244.5010 822409.0030 1196153.1200 894647.7513 1822009.6070 1687164.0380 1726739.7300
Pimelic acid Pimelic acid 26221099.0800 21958253.7300 21676145.4600 15893633.6300 16430301.7000 15310475.5200 679256.0114 483994.8415 24057097.5000 19569319.0400 578009.4776 716484.6627 620250.6141 6511328.9040 8412494.0610 4945439.9480 4495141.6820 6739710.9490 5064757.4620 7243053.9600 8193517.8920 9030591.0680
potassium dihydrogen phosphate 1237548.3010 1939016.7660 898838.8355 1877506.5870 595170.0176 711028.5985 390762.0674 477045.1037 469542.4823 770723.6149 354803.2221 452005.4433 396461.7879 396778.8693 362429.8700 368467.9532 353627.9533 333238.9406
PS(37:1) PS 37:1 604801.0341 575796.1981 374722.6685 1306623.0410 1398954.0070 1504617.6710
pyrithiamine phosphate 1437190.4630 1025464.8770 1911446.1130 655980.0789 280620.0853
Pyruvic acid Pyruvic acid 27420679.0800 28254249.7600 23732421.8700 34601284.3400 25331466.9500 26535248.3300 360553.7376 356289.5769 286725.0950 261324.5762 649554.5917 549403.6910 533893.1295 1067910.6630 1191708.8530 602734.2385 8333072.8270 4679943.5050 7623889.4910 12428206.6400 11863790.6200 12004130.9800
Quercetin 3^-sulfate 684266.3164 689953.0203 629518.1377 576077.3198 584748.9683 710615.8982
(R) 2_3-Dihydroxy-3-methylvalerate 2866316.1240 2976678.6340 3446177.3590 3013749.6800 1902726.2070 1944003.6940 682995.5894 586695.7477 564549.5249 516773.9320 389827.8248 433145.6380 465574.7655 471770.5507 458567.9509 433886.9721 988956.0494 1106827.9750 952565.6301
rCdRP 721449.4205 682960.5354
Ribitol 5-phosphate 3840343.9550 16470648.4200 16020813.5200 275410.3452 334738.7114 457586.4066 402244.7465 744483.2070 811896.1098 346717.7312 308680.1505 304451.3605
Secobarbital Secobarbital 677081.3447 947787.0535 701502.8466 1341441.8470 1155554.9760 1152760.3470 1930684.4170 1728664.6780 1645025.7240 1634059.2600 5748962.6320 6207099.9800 5405646.0100 1800513.5310 1736307.5110 1939419.6090 1609589.7860 1842595.0470 1640255.3700 1111248.0120 1111823.0090 993575.3487
sodium dodecyl sulfate 45009684.0700 49431018.5900 57093317.5500 43977415.9100 37112008.6000 35405191.9600 4136310560 4282376755 132127799.2000 142075596.2000 2712709.0880 2764492.7840 2904459.7450 5692902.2180 1037312311 9435881.1010 660286358.8000 699918745.5000 300034193.4000 214789391.9000 228950976.6000 227364847.2000
Stearic acid Stearic acid 737611464.5000 784065764.5000 673320931.2000 602081355.8000 785432026.9000 656785669.3000 1028696852 1054372179 1155111968 1153578379 14587380.8100 16921870.1300 17276256.0600 638199196 483796198.5000 623046989.7000 643973013.1000 528814303 576641615.4000 479797800.8000 496561706 485670876.8000
Succinic acid Succinic acid 32864115.1500 29199487.2900 30959895.4000 28873655.1100 18996989.6500 19939228.7900 6746799.4800 19215007.4300 19252960.9200 19129180.9500 1696584.4150 2708992.6040 4359136.4140 7268420.4720 7488769.6130 10879144.5200 10638556.5200 8765101.2640 11534573.7100 10977836.1600 10447587.7400
trans-Dodec-2-enoic acid 2E-Dodecenoyl-CoA 7968588.3940 6789121.3840 5660710.6140 6291023.4000 6791697.1820 8091390.9730 1061880.6800 1077980.4840 1007902.0700 856306.3433 794799.5348 1098787.8780 3207270.6130 3503995.8770 3345247.5210
Tridecanoic acid Tridecylic acid 3437156.1440 4431417.2700 3548730.2020 3328061.9870 4237483.3350 3925466.9790 3115556.4780 3637828.1990 2975974.4810 3243600.3330 2147407.0880 2329835.9510 2354533.2490 2533298.0220 1485152.1100 2375133.3690 2457585.4640 1652196.5980 2403583.7280 1723591.6140 2200789.3850 2148194.9720
Trifluoroacetic acid 4409531.2180 6571318.8060 5392660.7520 5732308.5770 5407907.8520 4741234.3220 6146420.2840 2740803.8710 3900220.0240 2656777.8630 1320450.3110 1148740.1560 804552.8736 1684472.2080 2073160.0480 2024899.1160 3034840.4780 2468947.4400 3435309.4620 3210228.7080 2887220.3970
tunicamine 506068.9439 15971886.2900 12946410.4800 12230544.9600 1489959.9530 876911.7373 1271491.5370 2819183.4010 3877537.3310
tyrosinal 272198267.8000 279980362.8000 278803619 247059511.8000 238481868.6000 244898543.9000 51832558.1900 52163983.8700 57021546.7200 53400932.0600 943811.2407 17006803.5400 18722852.2900 17840422.5300 24836812.4200 21807257.5500 19756866.7500 105919493.1000 109708615.5000 117445525.5000
Tyrosine Tyrosine 181831436.8000 153063071.6000 170420173.1000 104527048.3000 97100202.3200 101074662.8000 42479215.3900 50120654.2600 54862025.7900 53811278.8400 24613243.3200 30089807.6500 28541177.4700 28628855.7500 25855794.0500 26419222.7400 95600773.0600 100019559 101787302.5000
UDP-2-acetamido-3-acetamidino-2_3-dideoxy--D-mannuronate 14493129.2400 16197557.4400 18421199.0500 16232465.9500 8553463.4670 9965813.3580 620337.5800 535435.0446 969192.9014
Undecanoic acid Undecylic acid 8638364.0100 8315052.8030 8616486.6140 4879560.9110 7129009.1560 6589855.6850 2288330.3790 2582749.5620 6906404.6070 7155514.0600 1938527.2130 2246715.3190 2618888.6220 3941962.0950 3490016.8410 3386518.2700 3590250.7670 3631262.5170 3522593.3770 4057431.0110 4493375.8100 4167726.6260
Uridine diphosphate-N-acetylglucosamine UDP-N-acetylglucosamine 1371915.3320 483567.2205 666266.1474 494201.0655 530945.4162 1269424.3170 2766016.9810 2854450.0560 3075391.8890 5002742.7990 7344610.5410 1420999.0610 1786300.7190 1612303.7720
Viscutin 1
Voglibose 1089561.5240 1329508.3760 1179286.8470 150596.0447
xi-gamma-Undecalactone gamma-Undecalactone 777570870.6000 767128513.7000 823649168.8000 413925759 591624013.7000 548572280.3000 8290193.4230 7028207.7540 629850345.5000 685582043.7000 624800.8688 669290.3193 313338720.7000 268647277.5000 240350768.3000 276935926.9000 281925119.9000 261922528.2000 377150986.4000 371659091.7000 396220268.3000