Data for ST000978
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 10-Heptadecenoic acid, (Z)-, TMS derivative | 105224.92 | 90294.89 | 65670.59 | 56775.76 | 71918.88 | 59698.94 | 125217.95 | 85113.26 | |
| 1,1^-Biphenyl, 4,4^-dinitro- | 51661.64 | 47991.91 | 47555.63 | 41757.09 | 53964.32 | 48453.74 | 38019.18 | - | |
| 11-Methyldodecanol | 107520.71 | 205632.44 | 107524.08 | 148738.62 | 160440.92 | 119648.39 | 261803.14 | 126250.16 | |
| 1,2,5-Thiadiazolo[3,4-c]coumarine, 8-nitro- | 73317.63 | 72008.32 | 75925.88 | 63849.84 | 91918.80 | 77857.16 | 76170.77 | 76518.07 | |
| 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester | 1422658.00 | 927568.00 | 1004463.92 | 933945.38 | 1096274.40 | 1073595.17 | 731167.96 | 1232743.86 | |
| 1,2-Dipalmitin, TMS derivative | 119980.16 | 54114.20 | 57545.76 | 21209.86 | 77754.51 | 62779.01 | 49665.96 | 63153.59 | |
| 13.beta.-Ethyl-3-oximinogon-4-en-17-one 3-TMS | 39761.64 | 72267.47 | 73266.17 | 64720.77 | 157258.87 | 79803.21 | 52061.95 | 95886.88 | |
| 1,3-Dipalmitin, TMS derivative | 159302.67 | 154661.29 | 129191.04 | 67885.70 | 161646.07 | 121998.71 | 97468.90 | 88458.39 | |
| 13-Docosenoic acid, methyl ester, (Z)- | 1267886.64 | 1274138.17 | 1137057.00 | 959085.24 | 1274486.87 | 1127535.04 | 1216985.77 | 985043.16 | |
| 1-(3-Methylbutyl)-2,3,4,6-tetramethylbenzene | 721521.00 | 755210.08 | 696462.48 | 640434.85 | 712016.07 | 663743.94 | 461959.90 | 640785.67 | |
| 1,5-anhydro-D-sorbitol | 4464524.10 | 6838908.22 | 5025359.62 | 5292024.34 | 3902066.93 | 4675019.76 | 6548228.51 | 3982150.95 | |
| 17-Methoxy-d-homo-18-norandrosta-4,8,13,15,17-pentaen-3-one | 51761.00 | 71344.03 | 69529.30 | 68848.32 | 85907.12 | 82367.05 | 41969.02 | 65134.55 | |
| 18-Methyl-nonadecane-1,2-diol, isopropylidene derivative | 87808.71 | 103707.79 | 244377.26 | 84841.95 | 188698.03 | 371304.87 | 136852.89 | 133451.95 | |
| 1-Chloromethyl-1-hexadecyloxy-1-silacyclohexane | - | 252986.97 | 503147.90 | 278570.34 | 410446.73 | 464894.00 | 316789.20 | 570155.59 | |
| 1-Decanol, 2-hexyl- | 299329.11 | 385044.09 | 212258.00 | 237163.03 | 258188.60 | 223121.50 | 47973.70 | 228276.61 | |
| 1-Dodecanol, 2-hexyl- | 119893.15 | 191059.76 | 121402.43 | 137853.02 | 121606.41 | 129943.67 | - | 69988.80 | |
| 1-Dodecanol, TMS derivative | 81771.69 | 81904.05 | 75429.60 | 63053.10 | 86980.18 | 78712.84 | - | 67191.73 | |
| 1-Ethyl-1-tridecyloxy-1-silacyclohexane | 149621.12 | 220443.20 | 145098.04 | 111551.62 | 150854.40 | 134157.84 | 88910.64 | 163492.46 | |
| 1-Heptanol, TMS derivative | 128489.58 | 131404.54 | 161057.90 | 145314.02 | 175243.12 | 163081.35 | 148534.12 | 176215.25 | |
| 1-hexadecanol | 71735.48 | 37617.42 | 75036.30 | 93399.76 | 73178.79 | 71770.50 | 61912.22 | 88942.08 | |
| 1-Hexadecanol, TBDMS derivative | 47102.92 | 51930.20 | 97970.83 | - | 59596.32 | 199618.61 | 76803.59 | 61738.22 | |
| 1H-Pyrazole, 4-nitro- | 659433.72 | 508819.15 | 729166.55 | 693502.94 | 844455.43 | 783537.10 | 424820.22 | 453509.91 | |
| 1-Hydroxy-3-methoxy-6-methylanthraquinone, TMS derivative | - | 128584.42 | 104725.81 | - | 119279.80 | 103894.49 | 112926.25 | 77832.78 | |
| 1-Monomyristin, 2TMS derivative | 2622824.72 | 2203273.54 | 2551796.86 | 1853862.78 | 2957995.57 | 2466788.61 | 2321730.14 | 2456565.18 | |
| 1 monoolein | - | 82067.24 | 92341.68 | 76508.29 | 135682.35 | 88372.34 | 309020.16 | 125887.32 | |
| 1-Monopalmitin, 2TMS derivative | - | 5942088.59 | 6074670.30 | 5757492.10 | 6659742.00 | 6483128.78 | 5892412.69 | 5427770.04 | |
| 1-Nonene, 4,6,8-trimethyl- | 273922.05 | 260765.52 | 149016.00 | 173588.76 | 168185.97 | 136844.19 | 245872.66 | 142994.05 | |
| 1-Octadecanol, TMS derivative | - | 165981.36 | 175688.00 | 116348.87 | 199506.50 | 181193.92 | - | 197764.86 | |
| 1-octadecene | 555161.72 | 468499.94 | 298470.18 | 208347.47 | 276757.27 | 288665.02 | 279589.58 | 326905.79 | |
| 1^-Oxocannabinol | - | - | 225494.37 | 231887.88 | 199070.52 | 170644.92 | - | 251299.67 | |
| 1-stearoyl-rac-glycerol | - | 6520985.68 | 6930358.56 | 6927462.13 | 7022857.28 | 7162363.61 | 6254315.42 | 5692196.02 | |
| 1-(Trifluoroacetyl)-L-proline, TMS derivative | 25039.45 | 34404.15 | 31829.09 | 29804.12 | 36775.96 | 32842.17 | 35935.49 | 32686.61 | |
| 2(1H)-Pyridinone, 3-acetyl-4-hydroxy-6-methyl- | - | 48919.79 | 53090.03 | 52512.18 | 63110.61 | 61436.22 | - | 65617.43 | |
| 2,3-Dihydroxypropyl icosanoate, 2TMS derivative | 707614.69 | 587240.21 | 667195.92 | 1000277.53 | 771105.14 | 649682.56 | 644985.81 | 598120.18 | |
| 2,4-Thiazolidinedione | - | 2495516.44 | 1887686.37 | 1301157.88 | 1925473.34 | 2070903.23 | 2918130.45 | 2005637.05 | |
| 2,5-Di-tert-butyl-4-((trimethylsilyl)oxy)phenol | 134451.52 | 126654.30 | 116642.18 | 155780.15 | 119024.88 | 128399.08 | 125967.47 | 92250.98 | |
| 2,6-Bis(tert-butyl)phenol, TMS derivative | 401900.14 | 427169.55 | 408546.19 | 351532.04 | 434785.97 | 408894.27 | 430195.34 | 384265.05 | |
| 2,6-Diisopropylnaphthalene | 60577.03 | 69950.10 | 92795.98 | 105448.56 | 86281.25 | 95218.02 | 67668.02 | 126841.15 | |
| 2,6-Diphenyl-1,7-dihydrodipyrrolo[2,3-b:3^,2^-e]pyridine | 323386.84 | 340616.21 | 280243.65 | 145485.26 | 367432.46 | 291604.34 | 8811.49 | 315126.28 | |
| 2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether (isomer ... | 1987601.55 | 2653260.36 | 2944280.75 | 5209580.34 | 3725657.53 | 3041053.21 | 4463977.08 | 2230859.39 | |
| 2-Ethyl-3-hydroxypropionic acid, di-TMS | 152733.68 | 139663.70 | 150739.61 | 128913.97 | 158881.46 | 154112.23 | 161650.92 | 142393.40 | |
| 2-Hydrazino-4,6-dimethylpyrimidine, 2TBDMS derivative | 648317.70 | 658509.39 | 498069.57 | 398147.69 | 520786.81 | 506391.23 | 678978.91 | 447801.95 | |
| 2-hydroxybutyric acid | - | 577511.52 | 493436.23 | 506419.24 | 634248.30 | 508555.38 | - | 416905.58 | |
| 2-Hydroxybutyric acid, 2TMS derivative | 551125.32 | 718011.34 | 545839.89 | 716488.76 | 474774.69 | 508141.36 | 1132771.77 | 547105.97 | |
| 2-Isopropyl-5-methyl-1-heptanol | 319892.88 | 373094.40 | 311242.73 | 344563.86 | 249724.56 | 281163.68 | 299153.31 | 225117.91 | |
| 2-ketoisocaproic acid 2 | 487181.80 | 227793.83 | 640109.26 | 633730.62 | 432149.53 | 637742.12 | 398455.22 | 431158.23 | |
| 2-Methoxy-6-methyl-4-phenyl-quinazoline | - | 68500.21 | 74314.73 | 64186.64 | 88126.55 | 76400.36 | - | 69926.56 | |
| 2-Methoxyestradiol, 2TMS derivative | - | 3397133.00 | 2360461.47 | 386716.57 | 3270616.88 | 2041742.17 | 1810937.38 | 2057629.08 | |
| 2-(Methylamino)ethanol, tert-butyldimethylsilyl ether | 181167.22 | 321596.55 | 397192.37 | 318042.75 | 479104.95 | 413581.74 | 312267.21 | 301717.48 | |
| 2-Monomyristin, 2TMS derivative | 74975.42 | 71753.86 | 89129.90 | 63455.72 | 108171.98 | 87126.27 | 63045.03 | 76925.58 | |
| 2-Monostearin, 2TMS derivative | 3478946.89 | 2313369.33 | 2611546.37 | 2761091.46 | 2606105.72 | 2668066.71 | 2106016.34 | 1930214.85 | |
| 2-O-Glycerol-.alpha.-d-galactopyranoside, hexa-TMS | - | 118454.15 | 106318.76 | 109587.86 | 221335.78 | 117644.49 | 118278.00 | 190115.48 | |
| 2-Palmitoylglycerol, 2TMS derivative | 3651127.74 | 2382167.51 | 2976205.79 | 3038229.62 | 3178616.37 | 2916124.66 | 2303987.68 | 2263116.08 | |
| 2-Phenyl-1,3-oxazol-2-ine | - | 3047049.30 | 1482195.77 | 1050262.14 | 1265779.56 | 939636.94 | - | 239916.16 | |
| 2-Propenoic acid, 2,3,3-tris[(trimethylsilyl)oxy]-, trimethy... | 84198.12 | 102924.42 | 118262.46 | 107903.52 | 139007.39 | 115309.69 | 73024.80 | 106279.73 | |
| 2-Pyrrolidinone, TMS derivative | 164226.82 | 170851.27 | 173201.27 | 172488.34 | 197114.95 | 175474.69 | 196764.36 | 202955.86 | |
| 3-[3-(4-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]-6-methylchromen-... | 179808.79 | 229776.00 | 343914.94 | 306413.50 | 426139.60 | 357109.25 | - | 273078.86 | |
| 3-.alpha.-Mannobiose, octakis(trimethylsilyl) ether (isomer ... | - | 2378008.98 | 3555817.61 | - | 3585377.14 | 3500211.74 | - | 3593142.10 | |
| 3-.alpha.-Mannobiose, octakis(trimethylsilyl) ether (isomer ... | 3184261.07 | 2917424.05 | 3099528.18 | 2195023.87 | 4905462.99 | 3106822.96 | 2792653.77 | 2099274.89 | |
| 3-Bromo-1-propanol, TMS derivative | 343605.31 | 275831.10 | 157262.62 | 129079.09 | 185986.88 | 165659.85 | 124472.11 | 124856.88 | |
| 3-indoleacetic acid | 427755.80 | 218802.28 | 357019.97 | 406806.43 | 543760.23 | 349157.01 | 324525.65 | 336989.62 | |
| 3-indolelactic acid 2 | 267661.40 | 415543.31 | 330541.60 | 236833.25 | 492720.86 | 312722.70 | 432660.45 | 317965.88 | |
| 3-Pyridinol, TMS derivative | - | 337278.92 | 324777.39 | 389894.77 | 380194.37 | 348001.36 | - | 297299.98 | |
| 4-Bromo-1-butanol, TBDMS derivative | 1117237.60 | 1162814.26 | 1162210.55 | 1037843.83 | 1392004.34 | 1229340.30 | 1261458.08 | 1098425.28 | |
| 4-hydroxyphenylacetic acid | 102425.12 | 70917.05 | 103216.24 | 87193.70 | 290073.54 | 111931.33 | 30822.18 | 174735.09 | |
| 4-Pyridinol, TMS derivative | 356679.62 | 315774.82 | 382204.08 | 346681.04 | 443087.42 | 404855.50 | 350799.63 | 185502.76 | |
| 5,5^-Biphthalide | 12086.66 | 284930.51 | 204690.33 | 66288.98 | 300830.02 | 210171.81 | 364914.02 | 94106.83 | |
| 5alpha-Cholestanol | 22827.59 | 30176.70 | 30129.72 | 32287.45 | 38166.72 | 31852.40 | 20269.20 | 35448.61 | |
| 9-Decenoic acid, TMS derivative | 139908.42 | 69754.77 | 88883.82 | 69882.58 | 79137.22 | 86322.80 | 95133.85 | 70449.59 | |
| 9-Hexadecenoic acid, (Z)-, TBDMS derivative | 2570501.36 | 2985050.38 | 2237382.36 | 1841487.85 | 2479036.85 | 2139148.00 | 2087580.60 | 2087404.98 | |
| 9-Tetradecenoic acid, (E)-, TMS derivative | 50351.44 | 57831.17 | 59729.37 | 60558.61 | 59676.37 | 58846.28 | 138205.04 | 44609.91 | |
| Acetamide, TMS derivative | 381318.84 | 531903.51 | 453856.02 | 462105.81 | 580286.32 | 506003.74 | 517979.79 | 442401.45 | |
| acetohydroxamic acid | 385888.80 | 502226.87 | 452766.11 | 426627.10 | 672868.29 | 532902.91 | 614518.02 | 505591.30 | |
| acetyl chloride, 2,2^-[1,2-ethanediylbis(oxy)]bis- | 167883.09 | 313591.17 | 271558.45 | 251120.38 | 284315.32 | 267766.74 | 216836.73 | 211531.13 | |
| .alpha.-D-Glucopyranose, 2,3,4,6-tetrakis-O-(trimethylsilyl)... | - | 606056.83 | 655131.00 | 122729.05 | 864319.40 | 544171.30 | - | 570385.15 | |
| .alpha.-Tocopherol, TMS derivative | 1058338.96 | 777263.88 | 851706.89 | 837441.41 | 973031.44 | 816926.20 | 1031209.03 | 972811.59 | |
| Aminomalonic acid, tris(trimethylsilyl)- | 541193.66 | 445426.85 | 387605.94 | 405131.85 | 340688.44 | 373982.66 | - | 401880.35 | |
| Anthraquinone, 1-(o-chlorophenyl)- | 292452.93 | 521885.68 | 282817.47 | 185010.73 | 288341.51 | 257556.17 | 250646.79 | 246055.80 | |
| arabinose | 171410.39 | 257910.11 | 326557.33 | 285435.59 | 478582.06 | 347088.51 | - | 444485.50 | |
| arachidic acid | 175473.16 | 221680.33 | 151700.97 | 155413.84 | 183003.45 | 145845.63 | - | - | |
| Arachidonic acid, TMS derivative | 235053.38 | 416698.51 | 243536.24 | 138314.84 | 224070.84 | 250139.07 | 414468.08 | 182364.26 | |
| aspartic acid 1 | 311388.26 | 475995.17 | 440486.94 | 410008.45 | 492629.20 | 419733.41 | 511057.46 | 316858.97 | |
| aspartic acid 2 | 167230.44 | 144071.85 | 180926.07 | 215990.60 | 202200.52 | 168909.93 | 297186.27 | 201225.67 | |
| Benzoic acid, 4-ethoxy-, ethyl ester | 388770.62 | 563932.26 | 328986.75 | 250416.78 | 427426.43 | 445808.53 | 462539.38 | 421964.29 | |
| Benzoic acid, 5-methoxy-2-[(trimethylsilyl)oxy]-, trimethyls... | 88818.15 | 183183.48 | 126104.57 | 119809.97 | 130144.09 | 122188.88 | - | 107325.64 | |
| Benzoic Acid, TMS derivative, | 55360.56 | 102378.96 | 110814.24 | 63683.70 | 95761.48 | 141262.16 | - | 110587.52 | |
| Beta- alanine 1 | 131216.72 | 95354.27 | 89823.60 | 140628.30 | 85543.06 | 82477.89 | - | 154715.29 | |
| .beta.-D-Galactofuranose, 1,2,3,5,6-pentakis-O-(trimethylsil... | - | 150233.26 | 163444.49 | 161173.86 | 233610.36 | 159330.38 | - | 94056.16 | |
| .beta.-D-Galactofuranoside, ethyl 2,3,5,6-tetrakis-O-(trimet... | - | 173432.58 | 155951.88 | 184376.95 | 193197.41 | 165639.80 | 173823.65 | 125120.50 | |
| .beta.-Gentiobiose, octakis(trimethylsilyl) ether, methyloxi... | 11052.60 | 19005.66 | 22680.23 | 9378.68 | 56172.55 | 24306.28 | 14907.61 | 17477.26 | |
| .beta.-Tocopherol, TMS derivative | 40151.06 | 29806.88 | 29957.69 | 22854.57 | 40653.74 | 29499.72 | 32187.82 | 20423.34 | |
| Butanoic acid, 2,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl... | 92794.31 | 219830.54 | 220225.41 | 229560.02 | 430696.01 | 312271.00 | 135107.90 | 227123.58 | |
| Butylphosphonic acid, pentyl 4-(2-phenylprop-2-yl)phenyl est... | 286954.86 | 277678.80 | 143797.01 | 93217.10 | 164944.00 | 149431.39 | - | 110900.47 | |
| Campesterol, TMS derivative | - | 33908.34 | 25778.01 | 15315.51 | 37705.97 | 20066.34 | 21895.05 | 48143.13 | |
| capric acid | 166455.12 | 138669.20 | 125254.58 | 97499.07 | 126270.96 | 129290.94 | 142076.15 | 169493.69 | |
| Carbonic acid, eicosyl vinyl ester | - | 134711.08 | 118125.88 | 82064.64 | 143921.57 | 124732.72 | 123731.70 | 60685.58 | |
| Carbonic acid, octadecyl vinyl ester | 53089.76 | 111781.22 | 78622.37 | 94065.23 | 101630.22 | 97023.63 | 108215.71 | 99283.43 | |
| Cholest-7-en-3-ol, (3.beta.,5.alpha.)-, TMS derivative | 64566.74 | - | 22250.60 | 14850.26 | 28900.17 | 20776.77 | 88647.58 | 13614.97 | |
| cholesterol | 4452482.94 | 4746843.74 | 4899142.67 | 4618482.49 | 5571690.26 | 4769863.86 | 4619027.06 | 5073190.54 | |
| citric acid | 4413550.40 | 3912334.88 | 3959114.08 | 3088601.90 | 4296690.06 | 4150252.85 | 3358059.53 | 3497141.13 | |
| citrulline 2 | - | 65866.41 | 104536.14 | 96969.65 | 158077.99 | 101424.51 | - | 147148.63 | |
| Creatinine | - | 149580.72 | 525163.26 | 290128.92 | 1127508.46 | 483453.02 | - | 1565455.72 | |
| Cyclodecasiloxane, eicosamethyl- | 7244179.08 | 3763617.70 | 2747056.84 | 1925368.17 | 2941795.93 | 3420303.40 | 3685341.75 | 7413698.99 | |
| Cycloheptasiloxane, tetradecamethyl- | 613057.07 | 505722.03 | 384889.12 | 209241.10 | 485120.07 | 434168.05 | 817968.02 | 755835.99 | |
| Cyclohexane, 1,2,3,4,5,6-hexaethyl- | 31798.73 | 104998.02 | 60310.49 | 24723.63 | 59620.72 | 69152.65 | - | 32040.44 | |
| Cyclohexasiloxane, dodecamethyl- | 126639.63 | 185572.25 | 87516.28 | 43323.73 | 59029.15 | 102377.58 | - | 218647.04 | |
| Cyclohexene, 3-butyl-3,5,5-trimethyl-1-(trimethylsilyloxy)- | 150262.28 | 168639.75 | 128108.32 | 82053.33 | 139483.53 | 117951.64 | 151928.71 | 99045.18 | |
| Cyclononasiloxane, octadecamethyl- | 1662825.88 | 667505.14 | 640905.42 | 620337.08 | 737738.37 | 719641.10 | 545763.98 | 1875807.06 | |
| Cyclooctasiloxane, hexadecamethyl- | 1129312.53 | 722787.94 | 644282.84 | 539294.28 | 739476.73 | 713123.67 | 768188.87 | 1353151.32 | |
| D-allose 1 | 4987291.18 | 1416207.97 | 1708504.48 | 1476681.59 | 1813296.40 | 1819213.62 | 1068408.48 | 2057505.69 | |
| D-Arabino-Hexonic acid, 2-deoxy-3,5-bis-O-(trimethylsilyl)-,... | 701411.41 | 619767.83 | 597564.92 | 466543.23 | 514955.78 | 543924.69 | 841287.33 | 542230.58 | |
| Decane, 2,4-dimethyl- | - | 84873.56 | 109606.93 | 110997.76 | 122395.94 | 103751.80 | 83439.97 | 106981.43 | |
| D-glucose 1 | 8330356.62 | 9727856.68 | 8275566.70 | 7144435.29 | 8604931.82 | 8233218.48 | 506224.74 | 8570779.68 | |
| D-glucose 2 | 8570850.57 | 8421312.71 | 8324172.35 | 8562987.34 | 8466590.86 | 8375067.08 | 8508593.00 | 8310564.24 | |
| dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine, 5,6,7,8,9,14... | 85800.21 | 89512.61 | 96899.43 | 109441.11 | 106563.49 | 102084.73 | 97376.39 | 80959.68 | |
| Diethanolamine, 2TMS derivative | 173627.34 | 186311.23 | 356959.44 | 713832.38 | 1093875.74 | 321383.28 | 232340.56 | 3015478.75 | |
| Dihydrouracil, 2TMS derivative | 39783.10 | 38159.17 | 50258.94 | 43278.46 | 60106.12 | 54383.57 | 37441.01 | 46976.57 | |
| dioctyl phthalate | 3419491.29 | 2333590.88 | 2937855.05 | 2334911.44 | 3538592.33 | 2984447.74 | 3546178.99 | 2745629.24 | |
| Disiloxane, 1,3-bis(1,1-dimethylethyl)-1,1,3,3-tetramethyl- | - | 326583.41 | 830154.53 | 293951.68 | 381931.84 | 1065345.35 | 443830.18 | 1025918.12 | |
| Disiloxane, hexamethyl- | 483946.77 | 3775853.76 | 3225404.58 | 1305376.17 | 2242689.40 | 3439541.28 | - | 2800775.60 | |
| DL-isoleucine 1 | 3179930.70 | 2824730.66 | 3960415.66 | 4917228.55 | 3972339.35 | 3722561.20 | 3122901.21 | 3931281.75 | |
| DL-isoleucine 2 | 2528683.41 | 1136433.46 | 1916090.55 | 2712356.54 | 1452697.08 | 1671800.40 | 1617736.40 | 2013246.44 | |
| DL-Ornithine, 3TMS derivative | 1385727.18 | 254774.73 | 533646.05 | 559454.34 | 505355.93 | 496711.50 | 238033.22 | 592758.97 | |
| D-malic acid | 549373.73 | 436137.98 | 401014.43 | 335278.06 | 402067.83 | 509872.11 | 654775.48 | 329206.14 | |
| D-mannitol | 81283.11 | 494262.27 | 1169302.60 | 295021.18 | 2681297.84 | 1706183.42 | 224463.66 | 1112255.64 | |
| Doconexent, TMS derivative | 59510.67 | 123966.69 | 80787.63 | 28367.42 | 77281.76 | 68358.06 | 102547.50 | 70720.60 | |
| Dodecane, 1-iodo- | 246518.89 | 127221.87 | 123467.38 | 157804.88 | 153803.54 | 123534.86 | 84657.87 | 85276.04 | |
| Dodecane, 4,6-dimethyl- | 103063.73 | 220542.82 | 103911.56 | 131264.59 | 135015.79 | 110648.75 | 88787.03 | 75185.22 | |
| D-threitol | 886056.30 | 1427445.64 | 1450920.65 | 1391863.31 | 2964057.72 | 1775296.33 | 1598691.51 | 1897583.36 | |
| D-(+)-Turanose, octakis(trimethylsilyl) ether | - | 2795049.04 | 2382263.17 | 2359049.93 | 2766835.94 | 2360241.14 | - | 1553568.57 | |
| eicosane | 103225.68 | 104963.30 | 71586.25 | 63116.61 | 80236.38 | 76281.61 | 65642.90 | 65041.49 | |
| eicosapentaenoic acid | 116374.91 | 232921.24 | 222805.65 | 371516.10 | 324180.06 | 274420.77 | - | 325605.50 | |
| elaidic acid | 750169.96 | 4313746.33 | 2700974.86 | 3165913.63 | 3069028.51 | 2958625.15 | 1051587.44 | 2648403.21 | |
| Ethanol, 2-(methylamino)-, N-trifluoroacetyl, O-(tert-butyld... | 4645663.30 | 5249062.55 | 4574796.18 | 4576221.20 | 4970441.18 | 4682334.30 | 5452635.71 | 3956470.21 | |
| ethanolamine | - | 253383.33 | 306646.30 | 368830.21 | 278587.68 | 313304.93 | - | 302563.81 | |
| Ethanolamine, 3TMS derivative | 1439394.28 | 1705328.37 | 2097359.69 | 1591763.88 | 1996103.25 | 1958345.14 | 1805860.50 | 1925785.02 | |
| Ethyl .alpha.-D-glucopyranoside, 4TMS derivative | 827061.13 | 1351610.46 | 879288.91 | 462564.20 | 761350.36 | 836703.56 | - | 1769569.81 | |
| galactitol | 63294.84 | 81175.69 | 132676.50 | 52326.46 | 132711.56 | 117385.56 | 40940.66 | 81871.78 | |
| galactonic acid 2 | 48546.61 | 160726.69 | 144218.11 | 143781.22 | 311801.04 | 175894.84 | 67626.90 | 170137.99 | |
| Galactose oxime, 6TMS derivative | - | - | 166595.16 | 34325.38 | 41106.61 | 40169.45 | 59705.32 | 36680.50 | |
| galacturonic acid 1 | - | 650340.80 | 718084.36 | 769781.09 | 1161258.18 | 913459.17 | 1352412.29 | 476721.23 | |
| .gamma.-Tocopherol, TMS derivative | 236375.91 | 168449.88 | 150493.89 | 154495.72 | 171697.62 | 159404.10 | 247302.15 | 154236.93 | |
| gluconic acid 2 | - | 127551.58 | 121589.54 | 70920.52 | 191982.96 | 127543.02 | 132949.78 | 145023.86 | |
| Gluconic acid, 2-methoxime, 3TMS derivative | 517062.11 | 1175007.75 | 1130834.51 | 539063.37 | 1077186.30 | 1175472.08 | 1511562.19 | 1321713.48 | |
| Gluconic acid, 2-methoxime, tetra(trimethylsilyl)-, trimethy... | - | 267905.36 | 172838.56 | 96827.71 | 225637.19 | 195610.40 | - | 333560.08 | |
| Glucose, 5TMS derivative | 8688682.89 | 2669217.03 | 1177662.28 | 485310.28 | 1076645.70 | 1469684.79 | - | 801464.38 | |
| glycerol | 3050432.75 | 3046091.57 | 2142016.89 | 1751283.12 | 1371575.97 | 2110828.80 | 3399543.41 | 1055685.18 | |
| glycerol 1-phosphate | 834250.85 | 745202.64 | 609481.84 | 318904.40 | 739997.68 | 627067.90 | 925187.25 | 735303.14 | |
| glycine | 3910779.45 | 4312719.58 | 4104723.25 | 3368676.29 | 3792446.23 | 3869301.32 | 3051888.77 | 4179103.00 | |
| Glycine, 2TMS derivative | 676404.70 | 824254.54 | 728361.85 | 842039.43 | 1097368.70 | 816102.51 | 118568.16 | 500344.31 | |
| Glycine, TMS derivative | 396370.53 | 596773.74 | 699270.10 | 825155.84 | 1048321.81 | 768770.77 | 347067.69 | 143634.03 | |
| glycolic acid | 3132459.36 | 3126568.21 | 3076999.62 | 2697702.35 | 3613092.79 | 3173949.29 | 3547884.48 | 2715754.42 | |
| Glycolic acid, 2TMS derivative | - | 118059.27 | 116672.20 | 105280.70 | 117478.12 | 241833.43 | 119687.73 | 107519.87 | |
| guanosine 2 | 69706.43 | 73114.56 | 51374.27 | 45043.34 | 45997.68 | 42941.56 | - | 28111.79 | |
| Heneicosane | 148444.12 | 127990.15 | 119669.06 | 65582.01 | 147878.67 | 131442.03 | - | 63649.66 | |
| Heptacosane | 94603.90 | 42273.36 | 105998.61 | 95071.95 | 131201.22 | 110709.45 | 118386.82 | 122773.74 | |
| heptadecanoic acid | 527165.86 | 390894.68 | 276491.44 | 237221.73 | 241883.52 | 287414.05 | 303032.72 | 277289.52 | |
| Heptadecanoic acid, glycerine-(1)-monoester, bis-O-trimethyl... | 323418.47 | 322479.67 | 302261.84 | 214271.34 | 332887.29 | 296496.24 | 368646.74 | 273942.91 | |
| Heptasiloxane, hexadecamethyl- | 954668.03 | 731763.94 | 546265.52 | 735959.85 | 664649.07 | 533524.21 | 390196.52 | 716532.01 | |
| Hexadecane | 189957.52 | 172119.95 | 163090.57 | 162640.15 | 178009.93 | 161727.26 | 66563.18 | 116868.17 | |
| Hexadecane, 2-methyl- | 80986.01 | 107702.07 | 60298.83 | 70032.80 | 67161.05 | 62547.06 | 65448.33 | - | |
| hypoxanthine | - | 113436.84 | 153972.93 | 144445.15 | 174936.91 | 164283.78 | - | 188526.32 | |
| Indol-5-ol, 2TMS derivative | 112537.53 | 220388.91 | 310122.21 | 235734.83 | 744641.24 | 375200.15 | - | 508453.85 | |
| inosine | 753585.16 | 662639.72 | 446308.11 | 498009.68 | 428392.97 | 427040.35 | - | 276094.21 | |
| Lactic Acid, 2TMS derivative | 5680886.37 | 4887163.96 | 5024425.96 | 5495025.48 | 5394174.01 | 4972549.33 | 9019209.63 | 4771246.77 | |
| lactose 1 | 51851.92 | 70439.79 | 162037.99 | 227327.51 | 567240.01 | 258773.69 | 89443.02 | 309949.33 | |
| L-alanine 1 | - | 916834.77 | 2391949.29 | 3827815.23 | 1900921.66 | 2066258.65 | 151233.39 | 2138004.74 | |
| L-alanine 2 | - | 318046.80 | 645621.79 | 418396.41 | 653442.71 | 635917.93 | - | 512869.75 | |
| L-Alanine, 2TMS derivative | 2300946.73 | 1923765.49 | 1962802.58 | 1964668.19 | 1971342.40 | 2003257.90 | 1799665.77 | 1412625.03 | |
| L-Alanine, TMS derivative | 485774.62 | 618099.18 | 677750.78 | 751750.16 | 671543.86 | 666070.04 | 574395.71 | 338284.36 | |
| L-asparagine 2 | 95552.16 | 157133.49 | 202033.31 | 168690.50 | 243551.43 | 195242.08 | - | 248379.16 | |
| L-Asparagine, 2TMS derivative | 222904.44 | 137967.48 | 154826.46 | 144795.22 | 163914.94 | 157453.56 | 150942.89 | 137393.74 | |
| lauric acid | 433689.32 | 491309.77 | 421041.23 | 406107.47 | 312796.83 | 414332.96 | 635932.58 | 442451.65 | |
| L-cystine 1 | 571706.13 | 138608.43 | 173044.41 | 166942.87 | 173942.25 | 201918.83 | 192303.00 | 30679.19 | |
| L-cystine 2 | 142893.57 | 834183.07 | 657388.45 | 548459.55 | 872804.47 | 669621.25 | - | 725709.95 | |
| L-cystine 3 | 113797.15 | 819909.72 | 1346167.64 | 1338108.25 | 2126204.93 | 1317773.88 | - | 1727120.72 | |
| Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester | - | 820494.30 | 364275.17 | 114386.95 | 413824.31 | 409419.00 | 732802.18 | 286512.09 | |
| L-glutamic acid 1 | 1254108.29 | 770367.26 | 980918.22 | 971979.14 | 970413.06 | 1001127.04 | 2217425.47 | 916980.87 | |
| L-glutamic acid 2 | 801966.71 | 441506.75 | 633211.51 | 574097.10 | 530637.28 | 544222.59 | 999100.71 | 660206.70 | |
| L-glutamic acid 3 (dehydrated) | 8621308.87 | 8497083.39 | 8277004.91 | 8152535.40 | 8080081.96 | 8308113.29 | 7926170.32 | 8246268.20 | |
| L-glutamine 1 | 645785.44 | 1327847.35 | 1352487.52 | 1377683.16 | 1481129.14 | 1366404.12 | - | 1436163.30 | |
| L-glutamine 2 | - | - | 63365.60 | 79938.02 | 100466.44 | 88323.47 | - | 98543.96 | |
| linoleic acid | 1864367.78 | 2609892.96 | 1963914.33 | 1778370.62 | 2029616.47 | 2044562.15 | 1862376.82 | 1958547.15 | |
| L-(+) lactic acid | 1128178.02 | 418297.29 | 604780.11 | 372838.89 | 552872.49 | 581097.88 | 1397737.47 | 709628.17 | |
| L-leucine 2 | 2768250.55 | 1868719.28 | 2019373.99 | 1739307.21 | 1697566.00 | 1955258.00 | 1861023.27 | 2352989.59 | |
| L-lysine 1 | 5760093.50 | 2280481.07 | 3109481.62 | 5104191.33 | 2403005.56 | 3287637.77 | 3138045.70 | 3157735.06 | |
| L-lysine 2 | 349782.97 | 1086065.41 | 1882906.65 | 1647234.39 | 2161149.89 | 1743193.81 | 151928.52 | 2420144.77 | |
| L-methionine 1 | 285925.09 | 177738.68 | 274379.31 | 309211.31 | 263640.07 | 276816.21 | 211210.24 | 167560.37 | |
| L-methionine 2 | 279015.71 | 155494.66 | 201049.82 | 208409.56 | 211363.96 | 186358.60 | 167965.48 | 197808.71 | |
| L-norleucine 1 | 2027038.94 | 1856453.62 | 2518281.10 | 2531215.57 | 2507728.61 | 2317725.05 | 3361251.73 | 2004791.10 | |
| L-Phenylalanine, 2TMS derivative | 1264495.03 | 761942.63 | 906240.56 | 1126486.87 | 911121.91 | 822346.57 | 969367.78 | 907372.37 | |
| L-proline 2 | 3214237.95 | 4332286.36 | 3345731.26 | 2908031.24 | 2629672.57 | 3285204.55 | 4855688.67 | 2910706.84 | |
| L-Proline, 2TMS derivative | 797055.67 | 1266564.80 | 1190957.04 | 1042261.51 | 1267147.77 | 1197069.32 | 1811534.72 | 857475.95 | |
| L-Proline, TMS derivative | 6844682.40 | 7323153.71 | 7006176.87 | 6189528.17 | 7534154.67 | 7256182.09 | 8395090.95 | 6459696.71 | |
| L-serine 1 | 1091524.56 | 2001968.78 | 1552514.36 | 1681278.83 | 2153534.52 | 1838704.77 | - | 1589460.01 | |
| L-serine 2 | 1394669.26 | 1125438.15 | 1237787.51 | 1063812.48 | 1284165.60 | 1143182.36 | 894860.37 | 1199539.17 | |
| L-Serine, 2TMS derivative | 3490718.69 | 2370851.22 | 2807392.68 | 3031432.90 | 2902805.54 | 2720148.95 | 3595399.17 | 2471664.06 | |
| L-threonine 1 | 3466053.68 | 2817675.50 | 3387920.36 | 3225689.86 | 2588310.62 | 3188351.99 | 2733485.76 | 2128764.05 | |
| L-threonine 2 | 1347140.70 | 1257896.17 | 1512789.73 | 1334323.44 | 1658453.05 | 1353576.80 | 1190854.21 | 1396349.00 | |
| L-tryptophan 2 | 4436690.64 | 3711645.04 | 5263625.67 | 5189777.46 | 4880345.99 | 4679334.21 | 6112695.49 | 4332602.68 | |
| L-tyrosine 2 | - | 2583233.16 | 3690958.55 | 4396238.05 | 4076220.92 | 3790819.70 | - | 3544792.04 | |
| L-valine 2 | 763010.26 | 403985.38 | 1146524.20 | 1311151.18 | 1214854.53 | 959948.51 | 389590.64 | 1404472.47 | |
| L-Valine, TMS derivative | 4329312.22 | 3331410.91 | 4733212.93 | 5114235.35 | 4580439.67 | 4584827.63 | 3711027.79 | 3937523.27 | |
| m-Cresol, TMS derivative | 297083.58 | 652856.13 | 557522.34 | 311484.86 | 384846.15 | 576916.84 | - | 944058.28 | |
| Methoxyamine, TMS derivative | 4103582.20 | 4395322.27 | 3372715.04 | 2961076.58 | 3543446.06 | 3229180.74 | 4028099.49 | 2962285.48 | |
| Methyl 2-[2-(4-chlorophenyl)-5-methyl-1H-imidazol-1-yl]dithi... | 60226.73 | 270728.66 | 139606.87 | 62691.70 | 200660.20 | 83856.82 | 52391.75 | 419808.45 | |
| Methyl Caprate | 4130356.47 | 5043352.08 | 4714179.69 | 4154282.93 | 5497229.96 | 4838232.40 | 3421609.49 | 3985696.73 | |
| Methyl Docosanoate | 4539285.36 | 4709661.68 | 4417084.09 | 3714447.40 | 4928826.20 | 4413707.81 | 4386651.23 | 4074160.29 | |
| Methyl Eicosanoate | 5412507.30 | 5405105.50 | 4970774.70 | 4244017.37 | 5467189.83 | 4976644.64 | 4894948.68 | 4512589.62 | |
| Methyl galactoside, 4TMS derivative | 8253135.34 | 7518154.11 | 6998150.08 | 7067143.98 | 7610556.33 | 7206805.57 | 7767472.29 | 6604792.88 | |
| Methyl Laurate | 5763429.03 | 6198208.32 | 5477310.60 | 4759440.05 | 6221175.76 | 5670337.71 | 5197886.79 | 4690542.71 | |
| Methyl Linocerate | 3893133.31 | 3942774.25 | 3831898.35 | 3137922.44 | 4227176.36 | 3776540.53 | 3805096.30 | 3604377.33 | |
| methyl linolenate | 1269018.65 | 1374842.33 | 1179568.46 | 949416.59 | 1325779.61 | 1188768.03 | 1174224.93 | 1015100.09 | |
| Methyl Myristate | 5395032.46 | 5749239.87 | 5148956.17 | 4317568.62 | 5710533.40 | 5271934.41 | 4894952.26 | 4664480.52 | |
| methyl oleate | 1535183.75 | 1638790.28 | 1446860.35 | 1208162.78 | 1529628.56 | 1431401.60 | 1468603.65 | 1298790.04 | |
| Methyl Palmitate | 6828201.29 | 7181212.38 | 6305359.44 | 5568991.18 | 6651014.30 | 6210576.41 | 6457897.97 | 5755859.69 | |
| methyl palmitoleate | 985298.95 | 1062827.39 | 877959.00 | 714744.17 | 953929.76 | 880380.88 | 925070.21 | 783527.77 | |
| Methyl Stearate | 5973924.63 | 6231141.60 | 5645672.90 | 4868914.40 | 6280818.83 | 5644710.10 | 5587611.62 | 5129229.81 | |
| Monolaurin, 2TMS derivative | 245441.95 | 230368.16 | 246849.88 | 193376.81 | 289878.20 | 240299.77 | 246762.79 | 224082.75 | |
| myo-inositol | 3281263.56 | 4025249.96 | 4094047.58 | 3201040.19 | 6981117.72 | 4602356.50 | 4170739.76 | 5788603.23 | |
| Myristic Acid d27 | 5332582.88 | 6322797.24 | 6835900.89 | 6484617.24 | 6724207.75 | 6890888.98 | 5508640.55 | 6937224.44 | |
| N-(6-Quinolinyl)phthalimide | - | 56590.33 | 80438.50 | 78890.99 | 98552.85 | 81522.91 | 104451.99 | 75864.44 | |
| N-acetyl-D-glucosamine 2 | 1492002.00 | 1024285.41 | 1120685.39 | 1050818.27 | 1575146.14 | 1194130.58 | 625805.83 | 1303745.05 | |
| N-Acetyl glucosamine methoxime, tetrakis(trimethylsilyl) | 73239.08 | 3728904.86 | 2541762.17 | 477376.41 | 2113774.19 | 2208193.34 | 9326967.91 | 2204491.38 | |
| N-(Hydroxymethyl)trifluoroacetamide, TMS derivative | - | 93569.91 | 93925.90 | 90863.37 | 106035.98 | 104758.75 | - | 67341.20 | |
| Nonanoic acid, TMS derivative | 99615.70 | 97580.24 | 125108.53 | 127419.15 | 131282.61 | 127348.35 | 98485.46 | 106466.41 | |
| norvaline 2 | 2893440.45 | 2592809.80 | 2923485.37 | 3707600.75 | 2914090.74 | 2748760.21 | 2142807.68 | 2737923.31 | |
| Octadecane | 190881.11 | 138174.09 | 122851.76 | 95934.59 | 163245.38 | 138981.02 | - | 103704.53 | |
| O-phosphocolamine | 141508.07 | 136072.12 | 131458.18 | 126893.56 | 172465.82 | 132853.07 | 156950.45 | 127473.49 | |
| oxalic acid | - | 2344315.72 | 1018697.17 | 235091.34 | 1053582.12 | 1216622.28 | - | 630566.60 | |
| Oxalic acid, 2TMS derivative | 598867.67 | 6217782.88 | 4092161.78 | 1751161.56 | 5091126.12 | 4471928.39 | 2521640.43 | 4455671.75 | |
| palmitic acid | 7375943.66 | 7803331.56 | 7125464.93 | 6343389.37 | 7640509.32 | 7097605.54 | 8348724.58 | 6924855.17 | |
| palmitoleic acid | 838033.10 | 1014214.39 | 518368.73 | 327212.53 | 374293.60 | 479795.28 | 2042383.31 | 373511.16 | |
| p-cresol | - | - | 1111135.11 | 1236337.30 | 1937640.19 | 1377697.64 | - | 2443362.52 | |
| Pentadecanoic acid, glycerine-(1)-monoester, bis-O-trimethyl... | - | 164910.70 | 163179.23 | 134034.45 | 197024.83 | 157312.47 | 163445.41 | 111105.60 | |
| Pentadecanoic acid, TMS derivative | 135500.87 | 136139.29 | 108265.78 | 87038.87 | 103322.42 | 106815.31 | 122233.28 | 95418.36 | |
| Pentasiloxane, dodecamethyl- | 219558.19 | 1445375.58 | 766956.39 | 648464.50 | 907036.80 | 788144.04 | 459697.17 | 861698.51 | |
| Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1) | 361790.05 | 423153.69 | 411250.47 | 381239.80 | 504433.04 | 389863.44 | 415106.17 | 293556.89 | |
| Phenol, TMS derivative | - | 122914.40 | 157858.18 | 80029.98 | 272153.36 | 196380.63 | - | 99461.58 | |
| Phenylalanine 1 | 2223353.01 | 1768884.04 | 2160328.30 | 2462563.10 | 2214908.73 | 2169211.97 | 1989885.33 | 2025566.55 | |
| phosphoric acid | 8449700.78 | 8429255.51 | 7925207.27 | 7304027.64 | 7863582.44 | 7974238.17 | 8713696.03 | 6228126.29 | |
| Phosphoric acid, 2-(trimethylsiloxy)-1-[(trimethylsiloxy)met... | 199902.63 | 85989.48 | 160310.53 | 127908.79 | 135617.70 | 154017.58 | - | 157540.10 | |
| Phosphoric acid, 2-[(trimethylsilyl)oxy]-1,3-propanediyl tet... | 609750.33 | 281127.25 | 442571.89 | 363989.84 | 541232.50 | 379463.60 | 134594.33 | 254846.99 | |
| Phosphoric acid, bis(trimethylsilyl)monomethyl ester | 114942.51 | 171022.44 | 208358.06 | 175271.82 | 193515.72 | 177828.87 | 114118.80 | 208071.38 | |
| propanedinitrile, 2-(1-methyl-2,6-diphenyl-4(1H)-pyridinylid... | 54417.18 | 31257.70 | 41071.08 | 82081.50 | 55348.02 | 46743.42 | 24850.04 | 42649.35 | |
| Propanoic acid, 2,2-dimethyl-, sodium salt | - | 8361994.74 | 6542703.32 | 8012044.59 | 6605559.38 | 6511418.06 | 7751814.92 | 5425396.58 | |
| Propylene glycol, 2TMS derivative | - | 1790157.56 | 1989774.81 | 2012364.98 | 1722222.30 | 2684188.03 | - | 2583556.28 | |
| Propylparaben, TMS derivative | - | 86162.14 | 84169.26 | 55061.39 | 86754.09 | 82976.72 | 62268.91 | 73330.95 | |
| Pseudo uridine penta-tms | 714669.21 | 1096956.02 | 1030562.82 | 917339.07 | 2104583.77 | 1261659.62 | 1131637.01 | 1726747.50 | |
| psicose 1 | 2135960.92 | 3529707.90 | 2766587.34 | 1433066.00 | 3484287.88 | 2902109.68 | 3836895.57 | 2514461.26 | |
| p-Tolyl-.beta.-D-glucuronide, tris(trimethylsilyl) ether, tr... | 15638.87 | 59809.90 | 137484.88 | 94509.59 | 232002.68 | 167177.34 | - | 209609.71 | |
| Pyroglutamic acid, TMS derivative | 891666.72 | 925347.30 | 1040651.06 | 886349.89 | 1191838.41 | 1173433.88 | 732640.06 | 1149679.04 | |
| pyrophosphate | 79877.72 | 152148.00 | 373624.02 | 144659.32 | 517896.86 | 254942.51 | 71971.42 | 486129.58 | |
| quinic acid | 171660.62 | 119480.71 | 608673.17 | 179561.01 | 1227145.23 | 920716.18 | 50688.30 | 1043647.63 | |
| ribitol | - | 705032.85 | 433439.15 | 424936.16 | 717463.05 | 571916.35 | 806874.67 | 623013.05 | |
| Ribonic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethy... | - | 405875.46 | 305051.12 | 217102.80 | 574508.09 | 321869.99 | - | 357268.01 | |
| ribose | 396921.23 | 105317.68 | 243661.47 | 528968.53 | 348089.25 | 294448.39 | 95737.30 | 221153.63 | |
| (R,R)-2,3-Dihydroxybutanoic acid, tris(trimethylsilyl)- | 203528.35 | 174001.77 | 346670.78 | 323620.88 | 543118.09 | 351002.84 | 108701.19 | 388554.53 | |
| (R,S)-2,3-Dihydroxybutanoic acid, tris(trimethylsilyl) deriv... | 391683.94 | 395462.45 | 492829.81 | 396456.41 | 718955.59 | 529290.54 | 259631.31 | 568650.51 | |
| (R,S)-3,4-DIHYDROXYBUTANOIC ACID TRITMS | 414272.79 | 452232.87 | 480819.87 | 625650.10 | 620618.05 | 531640.60 | 563342.02 | 435237.05 | |
| Sedoheptulose, o-methyloxime, hexakis-O-(trimethylsilyl)- | - | 2149981.59 | 1421621.44 | 18387.53 | 621555.99 | 1209840.21 | - | 4215210.07 | |
| serotonin 1 | 112615.31 | 152309.88 | 116738.91 | 139464.28 | 149467.11 | 122514.88 | - | 89163.30 | |
| Silane, diethyldecyloxyhexadecyloxy- | 52665.88 | 83755.23 | 57313.25 | 36282.04 | 57497.93 | 54324.84 | - | 68869.92 | |
| Silane, dimethyl-2-propenyl(tetradecyloxy)- | 43124.27 | 29822.96 | 41076.40 | 40954.07 | 52622.58 | 42404.64 | 38918.45 | 34457.65 | |
| Silane, dimethyl(octadecyloxy)propyl- | 261143.65 | 162387.15 | 167553.70 | 104042.37 | 164724.70 | 167861.18 | 151294.24 | 188517.90 | |
| stearic acid | 5815076.53 | 6308939.38 | 5978068.87 | 5566871.27 | 6427928.71 | 6026516.28 | 6292637.13 | 5769302.57 | |
| succinic acid | 555545.28 | 1065388.30 | 861077.90 | 510206.23 | 998874.17 | 963069.38 | 1693307.98 | 868982.94 | |
| tagatose 1 | - | 351486.70 | 393950.71 | - | 498644.85 | 426735.47 | 607182.66 | 399676.79 | |
| (t-Butyldimethylsilyl)[3-methyl-3-(4-methyl-pent-3-enyl)-oxi... | - | 910412.65 | 1133829.89 | 1508481.51 | 1258301.13 | 1111481.83 | - | 894537.66 | |
| tert-Butyl(2-(tert-butyl)-4-methoxyphenoxy)dimethylsilane | 258433.68 | 364087.37 | 388794.81 | 413359.85 | 471485.03 | 348141.29 | 330489.39 | 364005.54 | |
| tetracosane | 157654.97 | 57872.73 | 68727.70 | 50641.13 | 82503.56 | 70658.89 | 54890.30 | 63551.82 | |
| Tetradecane, 1-iodo- | 102333.43 | 138073.39 | 77788.94 | 104510.52 | 109427.10 | 74769.31 | - | 95885.57 | |
| Tetradecanoic acid, triethylsilyl ester | - | 27173.56 | 19887.32 | 12446.03 | 19384.26 | 16920.31 | 16108.40 | 18465.32 | |
| Tetrasiloxane, decamethyl- | 146921.04 | 124757.74 | 128483.60 | 134138.13 | 145241.59 | 134428.58 | 75271.05 | 136745.77 | |
| Thiazolidine-2,5-dione | 2409476.54 | 1796680.61 | 2063392.90 | 2378821.35 | 2360179.67 | 2427062.37 | - | 1860395.09 | |
| threonic acid | 2988597.04 | 3513577.97 | 3741576.44 | 2925592.12 | 5272605.02 | 4029231.21 | 3252242.53 | 4169324.59 | |
| trans-4-hydroxy-L-proline 1 | 204452.66 | 536132.48 | 574598.09 | 555205.32 | 762410.47 | 594223.44 | 639913.35 | 696205.26 | |
| trans-aconitic acid | 127346.83 | 98439.63 | 107006.78 | 98214.01 | 166858.52 | 135581.44 | 90071.76 | 111958.14 | |
| Tricosanoic acid, 2-methoxy-, methyl ester | 433304.39 | 303260.30 | 305279.83 | 228433.29 | 279033.57 | 289174.96 | 499871.57 | 236446.64 | |
| Trimethylsilyl 3-((trimethylsilyl)thio)propanoate | 7220874.37 | - | 8091632.70 | 8540754.28 | 8365422.04 | 8254770.64 | - | 8398858.77 | |
| tyrosine 1 | 4835095.11 | 2167072.05 | 2141012.67 | 2659537.80 | 1200736.15 | 2064394.19 | 5184250.85 | 1035866.27 | |
| tyrosine 2 | 744819.38 | 153375.55 | 2657908.63 | 1837250.54 | 4457561.16 | 2289439.74 | 583879.67 | 4448239.39 | |
| Undecane, 2,10-dimethyl- | 118006.19 | 88387.57 | 102071.78 | 99125.58 | 124852.65 | 102215.86 | 147997.40 | 75369.22 | |
| Undecane, 3,8-dimethyl- | 261263.49 | 192349.57 | 141191.83 | 140457.65 | 163086.35 | 144081.48 | 258499.29 | 77934.61 | |
| Undecane, 4,7-dimethyl- | 184357.88 | 108465.76 | 121252.96 | 127353.99 | 149387.70 | 122130.64 | 154701.39 | 105831.29 | |
| Urea, 2TMS derivative | - | 8362421.27 | 8580908.05 | 6861267.02 | 7134257.25 | 9458855.08 | - | 10374272.12 | |
| uric acid 1 | 8535195.83 | 8359451.09 | 7752479.36 | 8033278.51 | 8264338.50 | 7795001.04 | 8422827.38 | 7431624.16 | |
| uric acid 2 | 263907.13 | 217326.21 | 234116.16 | 278368.19 | 150215.82 | 261581.06 | 213969.58 | 81872.48 | |
| uridine | 136434.62 | 219704.19 | 266250.48 | 159764.44 | 299080.96 | 238093.09 | - | 334988.03 | |
| Uridine, 3TMS derivative | - | 317172.48 | 226707.52 | 106455.16 | 341377.28 | 211230.53 | 509175.31 | 317855.93 | |
| xanthine | - | 91217.97 | 106660.26 | 54928.58 | 150633.91 | 111558.16 | - | 107976.92 | |
| xylitol | 547162.09 | 589929.90 | 600602.19 | 537871.66 | 1231650.83 | 715750.17 | 748367.21 | 859258.85 | |
| xylose 1 | - | 480217.16 | 375006.83 | - | 493298.15 | 384722.27 | 462533.52 | 366540.25 |
Factors:
| F1 | Cox_Mortality:. | Cox_RRT:. | Cox_Composite_DeathRRT:. | Competitive_RRTvsDeath:. |
| F2 | Cox_Mortality:N | Cox_RRT:. | Cox_Composite_DeathRRT:. | Competitive_RRTvsDeath:. |
| F3 | Cox_Mortality:N | Cox_RRT:N | Cox_Composite_DeathRRT:N | Competitive_RRTvsDeath:N |
| F4 | Cox_Mortality:N | Cox_RRT:N | Cox_Composite_DeathRRT:Y | Competitive_RRTvsDeath:N |
| F5 | Cox_Mortality:N | Cox_RRT:Y | Cox_Composite_DeathRRT:Y | Competitive_RRTvsDeath:RRT |
| F6 | Cox_Mortality:Y | Cox_RRT:N | Cox_Composite_DeathRRT:Y | Competitive_RRTvsDeath:DEATH |
| F7 | Cox_Mortality:Y | Cox_RRT:N | Cox_Composite_DeathRRT:Y | Competitive_RRTvsDeath:N |
| F8 | Cox_Mortality:Y | Cox_RRT:Y | Cox_Composite_DeathRRT:Y | Competitive_RRTvsDeath:RRT |
