Data for ST000047
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-hydroxy-8E-Decene-2,4,6-triynoicacid | 10352.60 | 11329.97 | 9382.90 | |
| 12-amino-dodecanoicacid | 4603.03 | 5665.60 | 6465.77 | |
| 1,2-di-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn-glycerol | 3612.75 | 3546.67 | 3580.00 | |
| 12-oxo-10Z-dodecenoicacid | 4541.04 | 5711.89 | 3750.65 | |
| 12-oxo-9-octadecynoicacid | 1582.16 | 1471.26 | 1518.79 | |
| 13,14-dihydro-15-keto-PGF2alpha | 1528.05 | 1360.13 | 1553.77 | |
| 13,14-dihydro-19(R)-hydroxyPGE1 | 1538.48 | 1419.28 | 1550.14 | |
| 13E,17-octadecadienoicacid | 3884.46 | 2196.93 | 3230.72 | |
| 13E,17-octadecadienoicacid+12.112559 | 4167.23 | 5434.90 | 5094.60 | |
| 13E,17-octadecadienoicacid+12.351626 | 1467.28 | 1441.30 | 1406.11 | |
| 1,3-Propanediamine | 2791.37 | 2639.30 | 2741.20 | |
| 13S-hydroxy-9E,11Z-octadecadienoicacid | 1887.38 | 2181.67 | 1984.81 | |
| 16,16-dimethyl-PGF2beta | 7430.17 | 7708.38 | 7891.91 | |
| 16,16-dimethyl-PGF2beta+11.429014 | 6876.37 | 7148.17 | 4512.29 | |
| 16beta-Hydroxystanozolol | 3061.48 | 2882.68 | 2993.00 | |
| 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 | 4560.53 | 3627.70 | 4212.81 | |
| 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2+14.23761 | 3084.56 | 3883.60 | 3522.38 | |
| 1alpha,25-dihydroxy-11beta-methoxyvitaminD3/1alpha,25-dihydr... | 7196.50 | 7174.53 | 7154.37 | |
| 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/... | 2589.71 | 2213.09 | 2436.23 | |
| 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitaminD3/... | 42904.07 | 42744.57 | 43609.40 | |
| 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,... | 14937.27 | 14766.00 | 14840.21 | |
| 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitaminD3/1alpha,... | 18531.83 | 16725.38 | 16059.59 | |
| 1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorv... | 3543.87 | 3522.00 | 3458.50 | |
| 1-Aminocyclopropane-1-carboxylicacid | 8874.08 | 8027.13 | 6259.85 | |
| 1-Aminocyclopropane-1-carboxylicacid+1.2266328 | 6970.83 | 6098.95 | 6530.45 | |
| 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,2... | 42028.83 | 40687.37 | 41208.17 | |
| 1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol | 4025.06 | 3980.71 | 4269.37 | |
| 1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyce... | 1695.09 | 2108.46 | 1680.24 | |
| 1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycer... | 2811.31 | 2283.90 | 2539.55 | |
| 1-hexadecanoyl-sn-glycerol | 26813.77 | 26434.93 | 28492.13 | |
| 1-Hexadecylamine | 106723.10 | 105353.83 | 107026.43 | |
| 1-Hexadecylamine+10.330298 | 2956.65 | 2722.69 | 2924.00 | |
| 1-Hydroxytetrahydrocannabinol | 4636.88 | 4038.43 | 4782.60 | |
| 1-L-Leucyl-L-Proline | 5457.27 | 5241.73 | 4557.67 | |
| 1-Methyladenosine | 18546.70 | 17539.83 | 18893.77 | |
| 1-Methyladenosine+1.7661844 | 8118.18 | 7935.73 | 9537.92 | |
| 1-Methylguanine | 4453.21 | 4167.83 | 4262.00 | |
| 1-Methylguanosine | 5214.17 | 4730.10 | 5540.50 | |
| 1-Methylinosine | 12995.67 | 13157.59 | 13937.90 | |
| 1-nonadecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol | 7336.13 | 8205.71 | 6622.38 | |
| 1-octadecanoyl-rac-glycerol | 79443.50 | 79377.73 | 82607.57 | |
| 1-Pyrrolidinepropanol,a-(4-hydroxycyclohexyl)-a-phenyl-,tran... | 2629.93 | 2287.47 | 2249.90 | |
| (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid | 1996.96 | 1807.00 | 1832.24 | |
| (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid+13.396578 | 4154.00 | 3889.70 | 4171.69 | |
| 22:1Cholesterylester | 3386.94 | 3550.29 | 3813.62 | |
| 2,3-Dioxogulonicacid | 67714.30 | 79810.00 | 82438.97 | |
| (23R,25R)-25-hydroxyvitaminD326,23-lactone/(23R,25R)-25-hydr... | 5718.31 | 4815.03 | 5269.33 | |
| 2,4,6,8,10-dodecapentaenal | 2584.04 | 2176.67 | 2249.69 | |
| 2,4,6,8,10-dodecapentaenal+1.227618 | 2855.16 | 2935.68 | 2777.32 | |
| 2,4-DICHLOROPHENOXYACETICACID | 3067.17 | 3063.40 | 2907.90 | |
| 2,4-octadienal | 4362.72 | 4116.41 | 4165.60 | |
| (24S)-1alpha,24,25-trihydroxy-22-oxavitaminD3/(24S)-1alpha,2... | 3217.56 | 3775.79 | 3406.24 | |
| (24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-di... | 11782.38 | 12282.27 | 13802.50 | |
| 2-Amino-2-methyl-1-propanol | 5330.04 | 5606.47 | 6071.25 | |
| 2-Amino-2-methyl-1-propanol+3.3926477 | 7553.46 | 6889.19 | 7034.44 | |
| 2-Amino-3-methyl-1-butanol | 719234.93 | 622968.10 | 753526.53 | |
| 2-Amino-3-methyl-1-butanol+1.045414 | 25295.50 | 33701.00 | 73513.29 | |
| 2-Aminopropanol | 389171.47 | 223312.13 | 289157.70 | |
| 2-amino-tetradecanoicacid | 15083.93 | 14572.30 | 14774.27 | |
| 2-Butanone,4-[6-(sulfooxy)-2-naphthalenyl]- | 3507.77 | 4885.81 | 3593.85 | |
| (2-Chlorophenyl)diphenylmethane | 7153.70 | 6546.87 | 7359.40 | |
| 2-decylenicacid | 17657.90 | 17070.60 | 18461.20 | |
| 2-Deoxyglucose | 37966.85 | 39399.04 | 42373.92 | |
| 2-Furoicacid | 7931.42 | 9172.79 | 10417.80 | |
| 2-Heptenedioicacid,4-oxo- | 3360.10 | 3867.16 | 3651.62 | |
| 2-Hydroxyadipicacid | 3071.12 | 3340.42 | 3265.25 | |
| 2-Hydroxyadipicacid+0.9071934 | 117381.93 | 109719.10 | 114408.33 | |
| 2-Hydroxyfelbamate | 12131.00 | 12767.47 | 12424.93 | |
| 2-ISOPROPYL-3-METHOXYCINNAMICACID | 2451.13 | 2290.33 | 2340.07 | |
| 2-ISOPROPYL-3-METHOXYCINNAMICACID+11.305641 | 6567.13 | 6285.67 | 6495.07 | |
| 2-KetoglutaricAcid | 4538.13 | 4971.40 | 5206.47 | |
| 2-METHOXYRESORCINOL | 1399.89 | 1523.67 | 1628.06 | |
| 2-Methylbutyrylglycine | 8656.50 | 18637.71 | 10049.97 | |
| 2-Methylbutyrylglycine+0.9057921 | 20920.37 | 20996.03 | 16130.19 | |
| 2-Methylbutyrylglycine+3.9581158 | 2122.97 | 2120.19 | 2226.08 | |
| 2-methylene-4-oxo-pentanedioicacid | 14730.77 | 18095.07 | 14194.33 | |
| 2-Methylindoline | 3813.52 | 9958.74 | 4394.92 | |
| 2-Oxovalericacid | 3065.96 | 2863.44 | 2641.60 | |
| 2-Oxovalericacid+1.0467923 | 1632.06 | 1489.85 | 1577.39 | |
| 2-Pyrrolidinone | 7267.63 | 6789.10 | 7179.03 | |
| 2-Pyrrolidinone+1.6404546 | 3335.44 | 2911.20 | 2910.07 | |
| 2-Pyrrolidinone,1-ethyl-4-[2-[(2-hydroxyethyl)amino]ethyl]-3... | 2229.17 | 2178.04 | 2054.80 | |
| 2-Pyrrolidinone+2.5081131 | 7924.69 | 8771.14 | 9716.32 | |
| 2-Pyrrolidinone+2.8932798 | 24456.18 | 18636.17 | 20550.14 | |
| 2-Pyrrolidinone+2.9543996 | 17947.17 | 18224.04 | 19257.52 | |
| 2R-aminohexadecanoicacid | 1452.60 | 1445.88 | 1437.53 | |
| 3-(2,5-dimethoxyphenyl)propanoicacid | 18756.33 | 19882.33 | 19235.40 | |
| 3,3,45-Tetrahydroxystilbene | 5606.38 | 5734.30 | 5424.38 | |
| 3-(3-Indolyl)-2-oxopropanoicacid | 2618.67 | 2706.36 | 3474.67 | |
| 3,4-dihydroxymandelate | 5225.75 | 5389.56 | 5854.42 | |
| 3,5-dichlorosalicylicacid | 8473.57 | 8884.17 | 8371.90 | |
| 3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oicAc... | 17671.97 | 10418.63 | 16239.17 | |
| 3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-... | 2048.73 | 1933.89 | 1983.86 | |
| 3-Amino-2-piperidone | 9687.07 | 9248.87 | 9556.20 | |
| 3-Aminopropanal | 2897.22 | 2328.27 | 3143.72 | |
| 3-(a-Naphthoxy)lacticacidglucuronide | 10033.30 | 9125.63 | 8952.30 | |
| 3-DeoxyvitaminD3 | 4390.70 | 4223.23 | 4985.79 | |
| 3E,5E-tridecadienoicacid | 13271.93 | 13155.80 | 24323.70 | |
| 3-Hydroxycapricacid | 12963.83 | 4114.37 | 2487.32 | |
| 3-Hydroxycapricacid+4.517981 | 2762.43 | 2466.30 | 2831.81 | |
| 3-Hydroxycapricacid+5.362054 | 4034.26 | 4441.38 | 4802.69 | |
| 3^-Hydroxytrimethoprim | 6377.43 | 6501.03 | 6380.03 | |
| 3-ketopalmiticacid | 1904.12 | 1806.95 | 1955.24 | |
| 3-Methylamino-1,2-propandiol | 4345.27 | 4469.31 | 4360.93 | |
| 3-methyl-tetradecanedioicacid | 24557.67 | 23453.63 | 24197.20 | |
| 3-O-Methyldobutamine | 7797.10 | 5415.77 | 7392.04 | |
| 3-O-Methyldobutamine+9.681883 | 4336.93 | 4588.62 | 4255.93 | |
| 3-O-Methyl-L-DOPA | 3405.75 | 3714.71 | 3124.00 | |
| 3-oxo-4-pentenoicacid | 2757.69 | 2654.50 | 6369.85 | |
| 3-oxo-4-pentenoicacid+2.9779496 | 18595.07 | 7669.77 | 12305.63 | |
| 4,12-dihydroxy-hexadecanoicacid | 1787.90 | 1678.70 | 1722.47 | |
| 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline | 3141.93 | 3677.72 | 1912.73 | |
| 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline+3.4088924 | 7906.57 | 7494.73 | 7655.90 | |
| 4-Aminobutyraldehyde | 16159.96 | 20579.87 | 17021.07 | |
| 4-(diaminomethylideneamino)butanoicacid | 5126.65 | 4399.10 | 3844.68 | |
| ,4-Dihydroxyphenylpropionicacid | 3796.00 | 3743.00 | 3921.52 | |
| 4-Hydroxy-L-threonine | 1935.25 | 1660.00 | 1747.12 | |
| 4^-Hydroxyminoxidil | 2051.56 | 1531.33 | 2417.15 | |
| 4-Hydroxypyridine | 2753.44 | 4527.36 | 3576.33 | |
| 4-Hydroxypyridine+1.6993763 | 11464.24 | 11688.33 | 16102.55 | |
| 4-Pyridoxicacid | 3407.91 | 2712.71 | 3019.19 | |
| 5,6-Dihydrouridine | 5273.22 | 4342.00 | 4684.55 | |
| 5,7-nonadienoicacid | 1358.40 | 1259.17 | 1220.14 | |
| 5-aminosalicyluricacid | 14071.27 | 15414.90 | 14710.53 | |
| 5a-Tetrahydrocorticosterone | 3013.74 | 2847.67 | 2774.95 | |
| 5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid | 9411.47 | 8610.97 | 10342.24 | |
| 5-(hydroxymethyl)-2-Furancarboxylicacid | 55245.70 | 53291.14 | 60374.52 | |
| 5-(hydroxymethyl)-2-Furancarboxylicacid+1.1827083 | 30881.90 | 26026.44 | 32309.32 | |
| 5-Hydroxymethylcimetidine | 8085.89 | 7935.62 | 7106.58 | |
| 5-Hydroxytryptophan | 2316.69 | 1572.00 | 2012.06 | |
| 5-oxo-7-decynoicacid | 3008.56 | 2827.29 | 2835.00 | |
| (5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD33-oxide... | 4291.81 | 4489.05 | 4384.27 | |
| 6,8-dihydroxy-octanoicacid | 8789.38 | 6975.56 | 5568.06 | |
| 6,8-dihydroxy-octanoicacid+4.223625 | 1907.00 | 1556.28 | 1612.94 | |
| 6,9-hexadecadienoicacid | 1850.83 | 2116.68 | 2225.60 | |
| 6-Formylindolo[3,2-B]carbazole | 10147.82 | 11428.62 | 14756.86 | |
| 6-methyltetrahydropterin | 10012.00 | 8672.80 | 10193.68 | |
| (6RS)-22-oxo-23,24,25,26,27-pentanorvitaminD36,19-sulfurdiox... | 2647.36 | 2160.65 | 2247.48 | |
| 7,8-Diaminononanoate | 10149.97 | 9805.53 | 10143.00 | |
| 7,8-Diaminononanoate+0.86831826 | 21046.46 | 20411.38 | 21083.76 | |
| 7,8-Didehydroastaxanthin | 7611.67 | 6755.93 | 9804.60 | |
| 7alpha-(Thiomethyl)spironolactone | 4053.12 | 3834.50 | 2334.83 | |
| 7-DEACETOXY-7-OXOKHIVORIN | 1226.71 | 1211.14 | 1180.94 | |
| 7-hydroxy-10E,16-heptadecadien-8-ynoicacid | 4534.07 | 4394.87 | 4299.87 | |
| 7-palmitoleicacid | 2798.59 | 2541.90 | 2583.50 | |
| 8,13-dihydroxy-9,11-octadecadienoicacid | 2881.83 | 2385.73 | 2460.80 | |
| 8-Amino-7-oxononanoate | 3726.48 | 3223.73 | 3379.64 | |
| 8-Amino-7-oxononanoate+4.7958198 | 5633.76 | 2457.50 | 2478.56 | |
| 8-Amino-7-oxononanoate+5.501855 | 1942.33 | 1760.94 | 1814.43 | |
| 8-AminoCaprylicacid | 75672.10 | 57214.20 | 58971.63 | |
| 8-hydroxy-17-octadecene-10,12-diynoicacid | 4347.71 | 4446.48 | 4534.57 | |
| 8-hydroxy-17-octadecene-10,12-diynoicacid+13.171953 | 4442.00 | 3989.94 | 4277.50 | |
| 8R-hydroxy-9Z-octadecenoicacid | 2992.86 | 3054.60 | 3492.65 | |
| 8R-hydroxy-9Z-octadecenoicacid+12.002578 | 9365.04 | 9729.59 | 9861.93 | |
| 8R-hydroxy-9Z-octadecenoicacid+12.146298 | 8331.08 | 5512.33 | 6148.58 | |
| 8R-hydroxy-9Z-octadecenoicacid+12.259173 | 5837.64 | 5510.88 | 6211.08 | |
| 8R-hydroxy-9Z-octadecenoicacid+12.398762 | 7197.87 | 7384.50 | 7035.83 | |
| 8S-hydroxy-2-Decene-4,6-diynoicacid | 2376.10 | 2982.83 | 2799.57 | |
| 9,12,14-octadecatrienoicacid | 25449.03 | 23289.28 | 21515.43 | |
| 9,13-dihydroxy-11-octadecenoicacid | 78088.00 | 79928.70 | 82632.50 | |
| 9-dodecen-1-ol | 2578.57 | 2749.94 | 2345.42 | |
| 9-lauroleicacid | 2365.67 | 2136.27 | 2087.54 | |
| 9-lauroleicacid+12.430359 | 1905.13 | 1870.14 | 1917.82 | |
| Acetoaceticacid | 5759.00 | 5057.13 | 6027.43 | |
| Acetoin | 19234.81 | 18527.09 | 19009.40 | |
| Acetoin+3.1608412 | 15510.56 | 11531.35 | 12681.11 | |
| Acetoin+3.357173 | 18139.18 | 18455.73 | 23775.64 | |
| Acetoin+3.4380774 | 38411.69 | 35239.60 | 38498.91 | |
| Acetoin+3.7338545 | 46737.20 | 42804.97 | 46452.43 | |
| Acetoin+3.9354725 | 6087.88 | 4448.87 | 10781.43 | |
| Acetoin+4.037091 | 13778.17 | 13351.57 | 10675.53 | |
| Acetoin+9.702633 | 5150.13 | 6146.04 | 5130.93 | |
| Acetyl-farnesyl-cysteine | 8943.60 | 8754.93 | 8444.70 | |
| Acyclovir | 2887.09 | 2254.30 | 2944.30 | |
| AlaAlaAsp | 3303.90 | 3797.70 | 2754.03 | |
| AlanineDimer | 2169.46 | 1835.79 | 2159.20 | |
| alpha,alpha-Trehalose | 1938.11 | 2245.08 | 1520.88 | |
| ALPRENOLOL | 18246.17 | 12763.35 | 17210.11 | |
| Aminosalicylicacid | 3468.93 | 4238.07 | 4004.07 | |
| Aminosalicylicacid+1.590819 | 3409.25 | 3793.70 | 3658.38 | |
| Aminosalicylicacid+1.660612 | 2531.59 | 2612.83 | 2074.07 | |
| Aminosalicylicacid+2.050458 | 3880.94 | 4267.44 | 3596.22 | |
| ANETHOLE | 3036.78 | 3951.60 | 2834.12 | |
| ANISOMYCIN | 1749.11 | 3312.88 | 1631.71 | |
| Anthracene | 2415.12 | 7802.20 | 7384.14 | |
| ARECOLINE | 5188.80 | 3167.30 | 7283.67 | |
| Arginine | 124761.07 | 126806.80 | 112675.00 | |
| ArgSerPro | 3061.50 | 3310.20 | 3392.48 | |
| AsnGlySer | 4356.82 | 3807.06 | 3209.44 | |
| AsnHisSer | 1891.81 | 1849.29 | 1980.81 | |
| AspAspPro | 2577.97 | 2251.03 | 2383.18 | |
| AspLeu | 19734.87 | 20163.27 | 22384.10 | |
| Asymmetricdimethylarginine | 63509.13 | 52434.53 | 59797.50 | |
| Atenolol | 3420.23 | 3480.43 | 3022.17 | |
| avobenzone | 33019.13 | 31017.07 | 32376.07 | |
| avobenzone+13.0102 | 93914.47 | 92188.77 | 91472.47 | |
| Benzenepropanoicacid,4-[2-hydroxy-3-[(1-methylethyl)amino]pr... | 22468.11 | 21352.22 | 16895.53 | |
| BENZYLBUTYLPHTHALATE | 14522.23 | 14092.27 | 14463.50 | |
| Benzylmalicacid | 6976.24 | 6161.00 | 9020.39 | |
| beta-Alanine | 2605.14 | 2561.96 | 2595.55 | |
| beta-vinylacrylicacid | 5403.24 | 5623.89 | 5319.07 | |
| beta-vinylacrylicacid+3.1429625 | 1930.33 | 1919.54 | 1591.28 | |
| bicyclo-PGE2 | 3550.42 | 2618.26 | 4159.48 | |
| Bifemelane(M4) | 2305.45 | 1391.93 | 1940.11 | |
| Biotinamide | 2112.93 | 2691.48 | 4314.52 | |
| Bis(2-hydroxypropyl)amine | 81544.23 | 72712.10 | 65134.77 | |
| Bis(2-hydroxypropyl)amine+1.6169006 | 35914.75 | 30314.35 | 36675.50 | |
| Bis(2-hydroxypropyl)amine+2.961494 | 7145.33 | 6439.87 | 6911.50 | |
| C16Sphinganine | 3759.63 | 3556.97 | 3614.00 | |
| C16Sulfatide | 3709.07 | 3695.79 | 4004.57 | |
| C17Sphinganine | 25377.93 | 30106.00 | 43031.93 | |
| C18-Cerebroside | 5187.90 | 4010.67 | 4798.31 | |
| C22Sulfatide | 1858.86 | 1596.57 | 1808.81 | |
| C24:1-OHSulfatide | 9799.80 | 8468.43 | 9172.50 | |
| Caffeine | 386318.10 | 504741.08 | 722593.36 | |
| Camptothecin | 13248.60 | 12284.53 | 11704.83 | |
| CARBADOX | 40103.70 | 43680.93 | 43725.63 | |
| CARBADOX+3.2040133 | 2837.50 | 2617.65 | 2687.05 | |
| CARBETAPENTANE | 2766.17 | 2707.33 | 2691.87 | |
| Carboxyprimaquine | 4227.73 | 4362.95 | 4683.60 | |
| Carteolol | 2658.69 | 2548.75 | 3829.00 | |
| CDP-DG(12:0/12:0) | 1610.91 | 1475.23 | 1467.58 | |
| Cephradine | 4605.57 | 4085.54 | 4480.78 | |
| Cer(d18:0/22:0) | 4239.93 | 4628.83 | 4018.41 | |
| CerebrosideC | 3742.67 | 3258.53 | 3450.23 | |
| Chloralhydrate | 2324.93 | 2075.59 | 2057.15 | |
| Chloramphenicolalcohol | 16815.06 | 20801.27 | 18777.40 | |
| Cholest-5-ene | 1899.16 | 1705.48 | 1875.05 | |
| cis-11-Hexadecenal | 1736.85 | 1699.48 | 1727.44 | |
| Citrullinen-butylester | 1838.04 | 2060.13 | 1851.10 | |
| clavirinI | 2628.60 | 1860.55 | 2403.58 | |
| Creatine | 662792.00 | 709777.87 | 682620.20 | |
| Creatinine | 6274698.17 | 6106135.40 | 6158541.03 | |
| Creatinine+1.1800067 | 8494.04 | 9418.76 | 7904.15 | |
| cyclandelate | 3843.80 | 3624.30 | 3588.47 | |
| cyclandelate+11.3055525 | 13987.23 | 13867.23 | 13600.70 | |
| cyclohexylammonium | 13885.77 | 17236.43 | 11405.48 | |
| CysAlaGly | 15161.50 | 14576.33 | 14923.57 | |
| CysProIle | 15357.92 | 14705.65 | 15233.69 | |
| CysSer | 2107.00 | 1734.52 | 1844.48 | |
| Cytarabine | 26373.20 | 31057.07 | 32056.00 | |
| Cytosine | 14905.60 | 14378.50 | 16500.30 | |
| Dacarbazine | 4727.20 | 4723.12 | 4332.25 | |
| D-Biotin | 2200.45 | 2167.20 | 1638.62 | |
| Delphinidin | 2382.88 | 2074.42 | 2359.93 | |
| Demissidine | 2027.85 | 1989.06 | 2173.43 | |
| Desethylchloroquine | 11447.17 | 9283.06 | 9110.29 | |
| Desmethyldoxepine | 3824.25 | 3464.73 | 4800.75 | |
| Desmethyldoxepine+8.275158 | 4024.50 | 3764.27 | 4560.38 | |
| Desmethylthioridazine | 3993.52 | 3385.67 | 4219.89 | |
| Desmethylthioridazine+10.251241 | 2551.44 | 2209.13 | 2593.75 | |
| D-Glucose | 161583.25 | 108652.28 | 155325.11 | |
| D-Glucose+3.6962345 | 57790.81 | 56228.00 | 97428.70 | |
| D-Homoserine | 2629.83 | 2510.12 | 2435.86 | |
| Diacetyl | 8691.66 | 7358.80 | 8140.07 | |
| DIALLYLSULFIDE | 4830.82 | 4139.80 | - | |
| DIBENZOTHIOPHENE | 5175.52 | 5618.67 | 4732.77 | |
| DIBENZOTHIOPHENE+1.2266107 | 4700.39 | 2872.05 | 2553.68 | |
| DIBENZOTHIOPHENE+1.3471979 | 2140.29 | 2260.58 | 2203.00 | |
| Diethanolamine | 5510.20 | 5118.96 | 5670.63 | |
| diethyltoluamide | 1229.75 | 1366.91 | 10148.29 | |
| Diflunisalacylglucuronide | 2506.65 | 2498.17 | 2386.60 | |
| dihydro-alpha-ergocryptine | 3114.33 | 2401.97 | 6602.77 | |
| Dihydrolevobunolol | 2040.90 | 1782.45 | 1410.00 | |
| Dihydromyricetin | 4528.03 | 4194.83 | 4586.83 | |
| Dihydropteridine | 3092.34 | 3249.48 | 3399.23 | |
| DIHYDROSPATHELIACHROMENE | 5123.37 | 4923.80 | 5477.23 | |
| Dimercaprol | 2494.00 | 2279.60 | 2544.46 | |
| dimethylsulfoxide | 4786.52 | 5180.04 | 3447.12 | |
| Diphenoxylicacid(DPA) | 7820.30 | 7932.23 | 7851.10 | |
| D-Leucicacid | 6098.39 | 5992.36 | 6201.54 | |
| D-Leucicacid+3.3511949 | 19271.68 | 15140.83 | 18819.88 | |
| D-Leucicacid+3.4208822 | 18948.27 | 16876.43 | 15028.88 | |
| D-Leucicacid+3.683157 | 23769.80 | 19920.73 | 23813.33 | |
| D-Leucicacid+3.991298 | 7063.63 | 6612.93 | 7696.07 | |
| D-Leucicacid+4.228268 | 2595.89 | 2185.07 | 2741.56 | |
| Docosanedioicacid | 10499.81 | 7940.08 | 7108.73 | |
| dodecanamide | 3953.37 | 3659.00 | 3526.40 | |
| dodecanamide+10.117273 | 2842.71 | 2908.55 | 2889.80 | |
| dodecanamide+10.603764 | 13803.60 | 14661.40 | 14189.87 | |
| Doxapram | 9713.69 | 9155.85 | 8750.14 | |
| D-Proline | 5020.75 | 4181.17 | 6342.08 | |
| (E)-2-Methylglutaconicacid | 2627.19 | 2721.89 | 3169.00 | |
| (E)-2-Methylglutaconicacid+0.8921491 | 82482.37 | 83387.57 | 87317.80 | |
| (E)-2-Methylglutaconicacid+1.2437595 | 4411.93 | 4155.44 | 4550.77 | |
| Ecgonine | 66703.32 | 63558.73 | 61741.04 | |
| Embelin | 3626.13 | 3310.30 | 3463.77 | |
| epinephrylborateopthalmicsolution | 1601.93 | 1845.87 | 1900.50 | |
| epsilon-Caprolactam | 253897.73 | 214409.50 | 216226.20 | |
| ESTRADIOLCYPIONATE | 5582.62 | 6577.93 | 6949.47 | |
| Ethambutolaldehyde | 4542.33 | 3920.82 | 3520.47 | |
| Ethosuximide | 5831.33 | 3097.33 | 8586.93 | |
| Ethosuximide+3.0564094 | 2634.61 | 3004.61 | 2485.26 | |
| Ethylenediamine-N,N^-di-a-butyricacid | 4165.92 | 4745.68 | 3870.30 | |
| EthylOxalacetate | 7828.29 | 7403.93 | 7696.21 | |
| Flucytosine | 6862.50 | 7524.65 | 7429.50 | |
| Flucytosine+0.99118036 | 6896.00 | 6427.00 | 8333.73 | |
| fluoxymesterone | 2098.71 | 2123.25 | 2058.90 | |
| Furan2,5-dicarboxylicacid | 3253.45 | 3511.83 | 3669.86 | |
| Fusidicacid | 5486.63 | 4843.67 | 5237.73 | |
| GABOXADOL | 11535.24 | 9891.72 | 6525.61 | |
| GABOXADOL+1.0597433 | 2805.37 | 2151.21 | 2831.00 | |
| Gamma-Glu-Leu | 9519.00 | 4478.50 | 8988.61 | |
| GibberellinA9 | 4585.81 | 4253.45 | 4195.00 | |
| GlnProLys | 1911.52 | 1663.57 | 1900.54 | |
| GlnSerHis | 3970.95 | 3612.12 | 4649.28 | |
| GlnSerThr | 1883.43 | 2027.74 | 2246.09 | |
| Glucosylceramide(d18:1/20:0) | 3972.50 | 2818.00 | 3442.40 | |
| GluGlu | 3506.44 | 3829.71 | 5198.14 | |
| Glutaral(Glutaraldehyde) | 5221.83 | 5336.83 | 4937.50 | |
| Glycine | 3092.57 | 2809.00 | 2792.76 | |
| GlyValGly | 1896.96 | 2232.93 | 2154.61 | |
| GlyValHis | 2583.45 | 2837.87 | 2802.73 | |
| GPEtn(18:1(11Z)/18:1(9Z))[U] | 2189.62 | 2097.00 | 1955.00 | |
| GPEtn(18:1(11Z)/18:1(9Z))[U]+11.980686 | 17941.71 | 15437.06 | 16840.93 | |
| GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U] | 5712.89 | 6138.06 | 5344.71 | |
| GPEtn(O-18:0/22:0)[U] | 1793.25 | 1671.90 | 1741.33 | |
| GPIns(16:0/18:1(9Z)) | 16218.75 | 13337.71 | 16885.31 | |
| GPIns(16:0/18:1(9Z))+11.922863 | 16262.05 | 16346.29 | 16860.10 | |
| GPP(18:1(9Z)/18:1(9Z)) | 2689.12 | 2382.68 | 2329.21 | |
| GuanidinosuccinicAcid | 4037.48 | 3255.35 | 3732.53 | |
| GUVACINE | 2118.54 | 2263.53 | 2207.40 | |
| HECOGENINACETATE | 11198.00 | 9836.00 | 10214.20 | |
| HisLeuSer | 1755.07 | 1785.25 | 1764.55 | |
| Histidine | 6492.05 | 4239.56 | 4011.71 | |
| Histidine+0.8661965 | 9960.37 | 11009.11 | 11801.36 | |
| Histidine+1.047004 | 2222.86 | 2196.52 | 2325.80 | |
| HisVal | 3059.93 | 3125.52 | 2741.67 | |
| Homoarginine | 9449.69 | 6945.52 | 7965.61 | |
| Homocysteine | 5680.83 | 4158.07 | 3883.62 | |
| Homoserine | 3739.53 | 3825.20 | 6846.77 | |
| Hydroxyhydroquinone | 22705.83 | 21889.20 | 22770.07 | |
| Hypoxanthine | 24652.87 | 23329.87 | 24786.77 | |
| Hypoxanthine+1.5465705 | 41725.40 | 46006.20 | 50259.62 | |
| IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-di... | 32731.83 | 45189.60 | 40199.30 | |
| IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-di... | 14115.00 | 23545.39 | 9103.33 | |
| IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydroxy-3,4-di... | 10772.00 | 12105.14 | 11926.40 | |
| IleAla | 11087.73 | 10180.23 | 10319.67 | |
| IleAlaVal | 2020.22 | 2175.05 | 1880.66 | |
| IlePro | 5401.50 | 6433.71 | 6030.65 | |
| Indoleacrylicacid | 23402.50 | 22815.00 | 26987.13 | |
| Indoleacrylicacid+4.1127377 | 6541.43 | 6249.35 | 9822.82 | |
| Indospicine | 9129.65 | 5153.04 | 6260.56 | |
| Inosine | 7038.42 | 7106.61 | 8365.53 | |
| Inosine+2.9386847 | 7000.82 | 6193.56 | 5846.00 | |
| Isoleucine | 28355.00 | 25770.74 | 29107.68 | |
| ISOLIQUIRITIGENIN | 2548.83 | 2548.60 | 2999.55 | |
| Isoniazid | 5466.40 | 7025.46 | 9724.91 | |
| Isoniazid+3.4042652 | 2001.53 | 2766.17 | 2736.93 | |
| Isopentenyladenine | 280959.13 | 245780.93 | 278866.80 | |
| ISOSAFROLE | 2947.31 | 2821.08 | 2704.12 | |
| ISOSAFROLE+11.260149 | 1578.32 | 1568.89 | 1611.14 | |
| ISOSAFROLE+11.294703 | 1710.07 | 1546.83 | 1565.43 | |
| ISOSAFROLE+7.781458 | 3568.25 | 3644.00 | 3622.43 | |
| ISOSAFROLE+7.876791 | 4158.59 | 4045.07 | 4008.28 | |
| L-Alaninen-butylester | 13868.40 | 9908.81 | 16911.39 | |
| L-arabitol | 3772.37 | 4358.00 | 3902.20 | |
| L-Cysteinesulfonicacid | 1323.84 | 1157.76 | 1249.85 | |
| Leucine | 77099.36 | 62808.18 | 86383.47 | |
| Leucine+3.3912697 | 15805.47 | 14149.13 | 14824.07 | |
| LeuHisLeu | 1252.05 | 1150.37 | 1184.40 | |
| LeuLeuAla | 1844.08 | 1789.30 | 1446.28 | |
| LeuPro | 29449.70 | 25606.23 | 25268.87 | |
| LeuProIle | 7223.50 | 7489.06 | 7745.94 | |
| LeuProPro | 28869.50 | 24265.95 | 25963.75 | |
| LEVULINICACID,3-BENZYLIDENYL- | 12125.14 | 11252.45 | 10444.78 | |
| LEVULINICACID,3-BENZYLIDENYL-+11.658154 | 5499.58 | 8116.85 | 8591.58 | |
| L-gamma-Cyano-gamma-aminobutyricacid | 27153.36 | 17787.33 | 19633.03 | |
| L-gamma-Cyano-gamma-aminobutyricacid+0.890694 | 6641.97 | 6735.66 | 6159.62 | |
| L-gamma-Cyano-gamma-aminobutyricacid+2.6655388 | 7969.12 | 5781.75 | 8442.80 | |
| L-Glutamicaciddibutylester | 5840.82 | 1929.67 | 2245.62 | |
| L-Glutamicaciddibutylester+5.1181326 | 23356.78 | 20550.12 | 23257.53 | |
| L-Glutamicaciddibutylester+5.189158 | 11517.93 | 21296.72 | 23917.38 | |
| L-Glutamicaciddibutylester+5.3399 | 2605.70 | 1738.00 | 2303.04 | |
| L-Glutamicacidn-butylester | 86483.97 | 75720.03 | 85349.33 | |
| Lidocaine | 4368689.93 | 971665.13 | 211643.90 | |
| Limonene-1,2-epoxide | 2601.17 | 2586.53 | 2828.14 | |
| Loroxanthinester/Loroxanthindodecenoate | 2021.05 | 1835.06 | 2136.21 | |
| L-Serine | 6720.87 | 6769.33 | 7409.90 | |
| LysAsnPro | 8201.79 | 7371.00 | 7893.59 | |
| LysCysHis | 3654.33 | 3258.53 | 3991.67 | |
| LysGluVal | 1490.89 | 1573.27 | 1789.80 | |
| LysHis | 2431.32 | 2728.32 | 2513.50 | |
| LysIle | 16214.28 | 16660.50 | 16987.53 | |
| Lysine | 4426.35 | 4045.33 | 4463.63 | |
| LysLysLys | 792837.83 | 797888.83 | 803079.27 | |
| LysVal | 18767.23 | 18562.83 | 19536.97 | |
| Mannitol | 17956.47 | 18134.18 | 14047.90 | |
| Mebeverine | 2541.67 | 1825.75 | 2283.57 | |
| Mebeverinemetabolite(Veratricacidglucuronide) | 2689.70 | 2503.88 | 2387.25 | |
| Meradimate | 52057.33 | 50501.63 | 50225.40 | |
| Meradimate+9.5246935 | 2874.10 | 3014.37 | 2919.73 | |
| Meradimate+9.747628 | 3406.50 | 3378.32 | 3324.04 | |
| Methionine | 8342.37 | 4585.69 | 10994.48 | |
| MetHisLys | 6476.63 | 5832.00 | 5619.52 | |
| MetHisLys+10.030071 | 10246.83 | 12128.44 | 11511.07 | |
| MetHisLys+9.225381 | 8696.33 | 7976.20 | 8269.90 | |
| MetHisLys+9.580145 | 72178.63 | 54443.60 | 73682.50 | |
| MetHisLys+9.714662 | 61461.29 | 111085.71 | 62175.20 | |
| MetHisLys+9.8822365 | 29583.83 | 43267.11 | 23976.97 | |
| MetHisLys+9.901607 | 7919.35 | 8012.32 | 6233.21 | |
| methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate | 2302.71 | 2239.52 | 2350.52 | |
| methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-oct... | 9212.00 | 8792.58 | 9292.72 | |
| Methylglyoxal | 2952.77 | 2921.20 | 3035.03 | |
| Methyljasmonate | 2029.36 | 2129.82 | 2125.44 | |
| Methylphenidate | 1772.89 | 1574.67 | 1470.91 | |
| METHYLTHIOURACIL | 69127.37 | 72382.33 | 70526.67 | |
| MY-5445 | 11306.87 | 12684.63 | 12009.14 | |
| MYCOPHENOLICACID | 1757.71 | 1998.77 | 1747.63 | |
| MYCOPHENOLICACID+4.000977 | 1342.65 | 1305.11 | 1409.64 | |
| MYCOPHENOLICACID+5.6754255 | 12704.79 | 12711.52 | 8478.00 | |
| MYCOPHENOLICACID+5.9322114 | 7277.12 | 8853.67 | 6692.31 | |
| N1-Acetylspermidine | 16341.40 | 16300.30 | 16846.30 | |
| (-)N-(1R-methyl-propyl)arachidonoylamine | 3025.73 | 3055.27 | 3487.13 | |
| N-(2-hydroxyethyl)icosanamide | 1486.55 | 1443.00 | 1470.69 | |
| N-(2-hydroxyethyl)oleamide | 1902.24 | 1877.27 | 1970.33 | |
| N-(2-hydroxyethyl)stearamide | 3866.83 | 3548.47 | 3895.43 | |
| N2,N2-Dimethylguanosine | 7460.47 | 6194.67 | 6504.94 | |
| N2-Succinyl-L-ornithine | 3656.15 | 3310.82 | 5288.76 | |
| N-Acetyl-a-neuraminicacid | 9075.63 | 8921.95 | 9220.30 | |
| N-Acetyl-beta-D-mannosamine | 4662.07 | 4920.90 | 4477.33 | |
| N-AcetylCilastatin | 1484.69 | 1410.74 | 1488.77 | |
| N-Acetyl-D-mannosamine | 2562.89 | 2457.19 | 3020.52 | |
| N-Acetyl-L-Histidine | 48197.41 | 52457.93 | 57088.56 | |
| N-acetyl-LTE4 | 6481.23 | 5911.97 | 6237.43 | |
| N-Acetylputrescine | 16748.03 | 16483.54 | 18227.80 | |
| N-Acetyltranylcypromine | 3767.33 | 1509.41 | 3567.94 | |
| Nadolol | 2459.94 | 2476.00 | 2397.74 | |
| Ne-Methyl-L-lysine | 6906.54 | 5526.26 | 7220.32 | |
| Netilmicin | 54437.60 | 50529.23 | 81733.30 | |
| N-Fluorenylacetamide | 4344.65 | 4308.67 | 3708.00 | |
| N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine | 8156.67 | 5983.38 | 7829.96 | |
| n-HexanoicAcid | 1846.29 | 1844.96 | 1865.14 | |
| n-HexanoicAcid+3.6519935 | 3408.08 | 6746.05 | 5094.06 | |
| Niacinamide | 1881.73 | 2165.47 | 1537.45 | |
| Niacinamide+1.0467085 | 6902.83 | 7371.77 | 6761.79 | |
| N-Methyl-2-pyridone-5-carboxamide(Nudifloramide) | 26214.39 | 32676.24 | 23360.40 | |
| N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2.8463671 | 122890.64 | 102272.78 | 106328.82 | |
| N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2.9480572 | 27678.00 | 32762.43 | 31346.81 | |
| N-methyl-Gabapentin | 1281.93 | 1335.83 | 1378.23 | |
| Norpropoxyphene | 26871.00 | 21697.31 | 23575.86 | |
| N(pai)-Methyl-L-histidine | 46027.07 | 42429.60 | 35540.13 | |
| n-Pentadecylamine | 8753.15 | 7849.04 | 8171.35 | |
| octadecanamide | 1823.72 | 1700.00 | 1942.05 | |
| Octocrylene | 213665.87 | 206708.67 | 211264.13 | |
| o-Hydroxyaniline | 3407.52 | 2801.77 | 3690.16 | |
| Oleamide | 8965.60 | 8435.87 | 9072.80 | |
| Oxaloglutarate | 1225.75 | 1290.06 | 1275.70 | |
| Oxybutynin | 16216.21 | 10863.20 | 10470.50 | |
| p-Aminobenzoicacid | 2421.60 | 2618.55 | 2221.19 | |
| p-Aminobenzoicacid+0.94484663 | 30225.21 | 11828.50 | 16925.71 | |
| PantothenicAcid | 10870.40 | 11704.90 | 13368.00 | |
| p-Coumaricacid | 5423.50 | 6645.86 | 10137.81 | |
| p-Coumaricacid+1.7897145 | 8186.17 | 6558.72 | 9128.96 | |
| p-Coumaricacid+8.976108 | 4002.23 | 3758.27 | 3840.50 | |
| Penbutolol | 4157.50 | 4038.00 | 3986.63 | |
| PenicillinV | 1573.10 | 1486.21 | 1528.70 | |
| Pentazocinetransacid | 51800.10 | 52429.80 | 49408.20 | |
| Perindopril | 4261.39 | 3988.29 | 4444.63 | |
| Perindopril+13.513286 | 4004.21 | 4505.59 | 3390.00 | |
| PEUCENIN | 9392.84 | 9821.17 | 11339.46 | |
| PEUCENIN+7.86186 | 15141.60 | 14490.03 | 14579.70 | |
| PGE1alcohol | 1946.80 | 1909.08 | 1909.86 | |
| Phenoperidine | 15865.37 | 15054.30 | 15125.70 | |
| Phenylalanine | 2553.27 | 2016.79 | 2637.74 | |
| Phenylalanine+3.1124516 | 2696.82 | 2544.53 | 1601.94 | |
| Phenylalanine+3.2762616 | 127019.93 | 118198.82 | 98252.88 | |
| Phenytoin-N-glucuronide | 3216.69 | 4703.29 | 6650.85 | |
| PhthalicacidMono-2-ethylhexylEster | 28326.17 | 30553.73 | 30973.67 | |
| PhthalicacidMono-2-ethylhexylEster+11.684327 | 76274.93 | 74699.23 | 73067.23 | |
| p-HYDROXYCINNAMALDEHYDE | 97592.47 | 89541.53 | 105459.30 | |
| p-HYDROXYCINNAMALDEHYDE+6.348544 | 5729.60 | 5708.13 | 5691.93 | |
| Pinacidil | 15553.23 | 13041.27 | 14969.03 | |
| Pinacidil+4.4089837 | 6831.23 | 7269.20 | 8257.13 | |
| Pinacidil-N-Oxide | 8996.07 | 8861.60 | 8610.40 | |
| pipecolicacid | 2336.58 | 2675.67 | 2952.05 | |
| PISCIDICACID | 1917.48 | 1942.08 | 2265.84 | |
| PISCIDICACID+0.9124123 | 1507.25 | 1946.27 | 2007.71 | |
| ProGluTyr | 2885.31 | 3391.60 | 3016.63 | |
| ProHis | 12024.73 | 10854.63 | 24801.48 | |
| Proline | 1736.91 | 1344.11 | 1082.78 | |
| Proline+0.86503255 | 2335.70 | 2007.08 | 1975.00 | |
| Proline+2.0194335 | 6622.00 | 3376.30 | 6787.93 | |
| Proline+2.1935194 | 2801.13 | 3026.73 | 5942.44 | |
| Proline+3.5784535 | 2142.39 | 2437.33 | 2221.96 | |
| ProPheArg | 6520.73 | 5029.33 | 5153.67 | |
| Propionylglycinemethylester | 9908.73 | 7250.00 | 9643.20 | |
| Propionylglycinemethylester+2.9428074 | 10726.41 | 10820.43 | 12580.39 | |
| ProProPhe | 2023.32 | 1920.33 | 1924.18 | |
| Purine | 1184471.33 | 1149133.81 | 1089198.11 | |
| Purine+0.7625763 | 1436179.45 | 1336397.48 | 1380528.72 | |
| Pyridoxamine | 18166.57 | 15036.73 | 16181.43 | |
| Pyridoxine(VitaminB6) | 2067.31 | 2133.63 | 2133.35 | |
| Pyroglutamicacid | 300903.37 | 305082.77 | 303344.97 | |
| Pyroglutamicacid+1.2445769 | 85130.03 | 97381.03 | 77540.18 | |
| Pyroglutamicacid+1.5233006 | 17157.33 | 22549.33 | 17520.97 | |
| QH2 | 1952.80 | 1746.21 | 1834.39 | |
| Quinestrol | 1423.42 | 1477.81 | 1541.83 | |
| Quinone | 2083.13 | 2036.06 | 2137.37 | |
| (R)-(+)-Citronellal | 2266.83 | 2996.33 | 2105.03 | |
| ResolvinD1 | 52825.58 | 45108.70 | 48332.48 | |
| RETUSOQUINONE | 2037.46 | 2052.47 | 1992.48 | |
| RETUSOQUINONE+11.308531 | 6521.00 | 6834.90 | 6733.07 | |
| RETUSOQUINONE+11.520966 | 1845.87 | 1519.22 | 1564.07 | |
| ROFECOXIB | 11516.27 | 9591.75 | 11719.83 | |
| SerHisSer | 2132.33 | 2018.68 | 2029.56 | |
| SerSer | 1361.89 | 1379.69 | 1411.06 | |
| Shikimicacid | 24952.63 | 26010.77 | 24659.07 | |
| S-(p-Azidophenacyl)glutathione | 1421.88 | 1275.33 | 1822.65 | |
| Spermidine | 4463.81 | 3948.05 | 4820.29 | |
| Spermidine+0.7562499 | 4711.80 | 4885.73 | 3800.40 | |
| Succinoadenosine | 12187.23 | 11080.73 | 12654.60 | |
| Sulfacetamide | 1367.43 | 1220.69 | 1293.29 | |
| temazepam | 2494.50 | 2578.06 | 2520.93 | |
| Tetrahydrofuran | 4281.83 | 5372.14 | 3623.73 | |
| TG(16:1(9Z)/20:0/22:3(10Z,13Z,16Z))[iso6] | 3853.16 | 3565.71 | 3554.96 | |
| ThrHisGln | 2604.39 | 2586.63 | 2831.65 | |
| Tranexamicacid | 18216.90 | 13397.20 | 23313.62 | |
| Tranexamicacid+3.9845319 | 11963.33 | 27308.42 | 9984.50 | |
| TRANILAST | 4475.33 | 4315.53 | 4366.59 | |
| trans-Aconitate | 13933.10 | 15366.77 | 15929.43 | |
| TRIACETIN | 1198.50 | 1179.87 | 1225.80 | |
| Triparanol | 2161.71 | 2037.08 | 3511.50 | |
| Triparanol+1.0181272 | 825354.07 | 954452.17 | 482331.67 | |
| Triparanol+1.2402513 | 24415.93 | 20325.67 | 26126.07 | |
| Triparanol+3.4729714 | 13743.59 | 11442.00 | 13052.17 | |
| TyrCysThr | 3557.17 | 3646.00 | 3307.67 | |
| Tyrosine | 6964.84 | 6532.14 | 7007.21 | |
| Tyrosine+1.775995 | 5710.44 | 6842.70 | 10625.79 | |
| TyrPro | 5883.91 | 4268.79 | 4089.13 | |
| TyrProArg | 2120.12 | 1920.00 | 1585.00 | |
| Ubiquinone | 4634.23 | 4848.27 | 4886.67 | |
| Urea | 45199.42 | 59740.95 | 60526.37 | |
| Urea+0.6992776 | 37362.00 | 34504.90 | 32682.54 | |
| Urea+0.72563285 | 37438.55 | 45075.00 | 52629.09 | |
| Urea+0.91156 | 344951.40 | 352967.03 | 349848.77 | |
| Urea+1.1698138 | 26428.45 | 25212.82 | 26991.79 | |
| URETHANE | 30104.53 | 31485.00 | 29858.17 | |
| URETHANE+1.6414638 | 2230.25 | 2368.27 | 2348.00 | |
| URETHANE+1.9081365 | 6531.50 | 6555.85 | 6538.38 | |
| URETHANE+2.1131146 | 13253.26 | 11653.00 | 14290.50 | |
| Uricacid | 27580.30 | 22433.43 | 24944.83 | |
| Uridine | 10725.24 | 10833.93 | 10499.21 | |
| Urocanicacid | 2311.66 | 2195.10 | 2309.79 | |
| VALERYLSALYCILATE | 5819.83 | 6776.77 | 5280.87 | |
| Valine | 368701.63 | 327506.70 | 450945.07 | |
| Valine+1.1798357 | 56341.73 | 49660.66 | 66627.76 | |
| Valine+3.1044893 | 18755.06 | 23489.00 | 20621.40 | |
| ValLysTyr | 1192.87 | 1210.08 | 1231.29 | |
| Vanillacticacid | 8276.67 | 6734.17 | 7996.93 | |
| Vigabatrin | 5058.91 | 4874.40 | 5580.33 | |
| Vigabatrin+11.291644 | 3755.03 | 3712.87 | 3748.67 | |
| VitaminD3glucosiduronate | 1634.22 | 1436.28 | 1519.08 | |
| Zalcitabine | 45433.80 | 39753.13 | 67453.79 | |
| Zalcitabine+1.1630843 | 7631.54 | 9452.70 | 6290.83 | |
| Zopiclone | 2686.71 | 3372.05 | 2883.75 |
Factors:
| F1 | Cognitive Status:AD |
| F2 | Cognitive Status:CN |
| F3 | Cognitive Status:MCI |
