Data for ST000046
Metabolite structure | All data | F1 | F2 | F3 |
---|---|---|---|---|
10,12,15-octadecatrienoicacid | 307154.67 | 331116.31 | 230491.60 | |
(10E)-19-fluorovitaminD3/(10E)-19-fluorocholecalciferol | 9278.67 | 7830.82 | 6406.58 | |
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid | 5654.76 | 10832.23 | 15491.31 | |
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid+1.2059581 | 15740.73 | 19672.05 | 28844.65 | |
1-(11E-octadecenoyl)-rac-glycerol | 30415.66 | 39440.09 | 33442.66 | |
11-deoxy-PGE2 | 7159.17 | 6220.08 | 6682.12 | |
12-amino-dodecanoicacid | 22538.97 | 41584.97 | 29465.30 | |
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid | 6509.06 | 6612.44 | 6074.16 | |
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.0063637 | 455472.60 | 347095.63 | 395315.30 | |
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.175578 | 40968.92 | 49495.35 | 16845.48 | |
1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glyc... | 51843.67 | 66238.44 | 65071.35 | |
1,2-Didecanoyl-glycerol(10:0) | 6667.12 | 7505.56 | 6350.00 | |
12-Ketodeoxycholicacid | 21130.05 | 18023.65 | 16445.79 | |
12-oxo-9-octadecynoicacid | 77769.60 | 149158.22 | 97410.07 | |
1-(2-Pyrimidyl)piperazine | 5703.50 | 7588.14 | 6078.33 | |
1-(2-Pyrimidyl)piperazine+5.2760143 | 7065.94 | 6865.24 | 6389.50 | |
12Z,15Z-octadecadienoicacid | 340463.73 | 393545.09 | 362234.77 | |
1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX] | 12010.17 | 5201.26 | 10466.22 | |
13S-hydroxy-9E,11Z-octadecadienoicacid | 285134.35 | 352390.12 | 291698.65 | |
(+/-)14,15-EpETrE | 9449.45 | 8524.06 | 8406.92 | |
14-hydroxy-12-tetradecenoicacid | 30797.33 | 25895.21 | 13706.79 | |
14-methyl-1-hexadecanol | 6719.23 | 6458.26 | 5937.62 | |
1,4-Methylimidazoleaceticacid | 11986.57 | 11508.15 | 6748.95 | |
16-hydroperoxy-9Z,12,14E-octadecatrienoicacid | 12890.55 | 11076.17 | 13321.27 | |
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-... | 16233.42 | 18340.00 | 14919.81 | |
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapenta... | 6672.38 | 5957.21 | 6370.44 | |
1-(9Z,12Z-octadecadienoyl)-rac-glycerol | 56122.13 | 64282.78 | 60382.10 | |
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol | 352570.10 | 367135.81 | 315767.97 | |
1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxycholecalcif... | 14682.16 | 10516.37 | 6433.13 | |
1alpha,25-dihydroxy-11beta-phenylvitaminD3/1alpha,25-dihydro... | 6128.38 | 5127.43 | 7221.07 | |
1alpha,25-dihydroxy-22-oxavitaminD33-hemiglutarate/1alpha,25... | 26395.73 | 18824.61 | 25301.93 | |
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-... | 33573.67 | 30458.34 | 38035.60 | |
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha... | 121145.65 | 103991.52 | 85496.36 | |
1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha,25-dihydr... | 4137.73 | 4103.75 | 5598.76 | |
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23... | 6309.88 | 6200.25 | 8335.20 | |
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,2... | 87653.62 | 95117.61 | 49824.15 | |
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn... | 681561.12 | 768625.63 | 683223.24 | |
1-heptadecanoyl,2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycer... | 28002.83 | 31429.10 | 30876.23 | |
1-hexadecanoyl-sn-glycerol | 232064.40 | 272625.91 | 250164.60 | |
1-Hexadecyl-2-arachidonoyl-glycerol | 4533.38 | 4603.38 | 4751.44 | |
1-Hexadecylamine | 12367.71 | 12213.54 | 11123.71 | |
1-Hexadecylamine+3.6542141 | 4925.67 | 6908.47 | 5805.80 | |
1-HydroxyvitaminD33-D-glucopyranoside | 18839.70 | 11558.32 | 18039.40 | |
1-Methyladenosine | 47816.33 | 41335.42 | 41549.83 | |
1-Methylguanine | 84826.90 | 72062.19 | 75705.13 | |
1-Methylguanosine | 7652.37 | 8490.33 | 9554.85 | |
1-Methylinosine | 28577.00 | 22805.53 | 23176.43 | |
1-Methylpiperazine | 4469.70 | 4292.20 | 5296.42 | |
1-Methyluricacid | 33056.56 | 26488.47 | 33227.68 | |
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy... | 26303.21 | 39819.47 | 39840.07 | |
1-octadecanoyl-rac-glycerol | 403822.10 | 618656.69 | 443875.83 | |
1-Phenyl-2-(diethylamino)-1-propanol | 4571.17 | 6055.06 | 4191.30 | |
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid | 11526.00 | 8472.25 | 5736.08 | |
20-oxo-heneicosanoicacid | 17802.68 | 21945.38 | 16768.21 | |
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvi... | 17673.60 | 15790.00 | 11872.14 | |
(22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,24,24a-tet... | 24067.06 | 33302.39 | 38050.17 | |
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehy... | 5344.10 | 3594.54 | 3434.69 | |
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehy... | 6494.44 | 7090.41 | 13084.67 | |
(23R)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23R)-1alpha,2... | 14197.38 | 6770.26 | 13824.00 | |
(23R,25R)-1alpha,25-dihydroxyvitaminD326,23-lactone/(23R,25R... | 17511.64 | 9848.76 | 15005.70 | |
2,4-octadienal | 4067.62 | 4147.33 | 3398.40 | |
(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitaminD3/(24S)-1alph... | 11146.58 | 14698.70 | 266608.50 | |
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-di... | 6110.35 | 5719.17 | 5208.88 | |
2,5-decadienoicacid | 9171.59 | 8614.67 | 7541.57 | |
25-hydroxy-26,27-dimethylvitaminD3/25-hydroxy-26,27-dimethyl... | 29391.40 | 42722.77 | 33663.53 | |
25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxypropyl)ethe... | 18812.74 | 20091.26 | 17863.05 | |
2-Amino-2-methyl-1-propanol | 10056.90 | 9714.35 | 9210.60 | |
2-Amino-2-methyl-1-propanol+4.6926875 | 28197.25 | 33510.82 | 31285.77 | |
2-Amino-2-methyl-1-propanol+5.1998544 | 41568.16 | 46758.63 | 36147.96 | |
2-Amino-2-methyl-1-propanol+5.3564744 | 26397.61 | 34691.48 | 28713.08 | |
2-Amino-2-methyl-1-propanol+5.645574 | 9366.55 | 11005.80 | 9113.86 | |
2-Amino-3-methyl-1-butanol | 4442754.93 | 4381482.94 | 4601617.40 | |
2-Amino-3-methyl-1-butanol+6.472044 | 20060.90 | 20417.03 | 17697.93 | |
2-Aminopropanol | 5055.62 | 5654.77 | 4286.00 | |
2-Aminopropanol+6.3286147 | 1270591.87 | 1216577.58 | 1341596.67 | |
2-decylenicacid | 16145.20 | 14290.94 | 14003.37 | |
2-docosanamidoethanesulfonicacid | 8333.17 | 9105.06 | 9338.11 | |
2-Ethylisonicotinicacid | 22327.29 | 21517.32 | 20587.00 | |
2-Hydroxyadipicacid | 212891.57 | 319688.62 | 239996.32 | |
2-Hydroxyadipicacid+2.0358596 | 7481.95 | 6034.82 | 7231.33 | |
2-Hydroxyadipicacid+2.74419 | 181413.41 | 150021.16 | 133491.05 | |
2-Hydroxyiminodibenzyl | 8043.00 | 6969.89 | 8580.63 | |
2-Methyl-5-isopropylhexa-2Z,5-dienal | 12305.41 | 11403.72 | 10800.18 | |
2-Methylbutyrylglycine | 14789.76 | 9515.65 | 9948.07 | |
2-Methylbutyrylglycine+2.0774822 | 13564.58 | 25639.21 | 13814.32 | |
2-Methylbutyrylglycine+3.1958613 | 18646.18 | 19382.77 | 35810.27 | |
2-Methylbutyrylglycine+6.5558777 | 93862.38 | 40123.00 | 23762.00 | |
2-Octenedioicacid | 5274.45 | 5168.81 | 4627.22 | |
2-Oxo-4E-hexenoicacid | 7398.52 | 6731.14 | 8269.88 | |
2-Pyrrolidinone | 6213.23 | 5885.50 | 6123.79 | |
2-Pyrrolidinone+2.0697286 | 49279.57 | 31307.03 | 35851.23 | |
2-Pyrrolidinone+2.8319786 | 24469.87 | 17437.25 | 19636.40 | |
2-Pyrrolidinone+3.2970328 | 91306.00 | 76967.88 | 92297.57 | |
2-Pyrrolidinone+3.786596 | 6716.13 | 5799.75 | 5981.24 | |
2R-aminoheptanoicacid | 188693.40 | 188663.71 | 188357.77 | |
2R-aminoheptanoicacid+6.352442 | 4638.71 | 3593.53 | 3587.89 | |
2-tridecene-4,7-diynal | 8819.38 | 6541.11 | 7440.56 | |
3,3,45-Tetrahydroxystilbene | 24832.14 | 28268.10 | 27480.30 | |
3,3,45-Tetrahydroxystilbene+3.5932326 | 3911.82 | 5191.67 | 5928.71 | |
3-(3-Indolyl)-2-oxopropanoicacid | 11994.53 | 12910.22 | 12964.47 | |
3,4,5-Trimethoxycinnamicacid | 49425.74 | 119030.61 | 127519.21 | |
3,4-Dihydrospirilloxanthin | 27368.15 | 26109.83 | 28182.19 | |
3,6,8-dodecatrien-1-ol | 9000.56 | 7748.12 | 7398.07 | |
3,6-octadecadiynoicacid | 57217.17 | 33286.61 | 33595.17 | |
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one | 69281.24 | 44447.29 | 44181.65 | |
3-Amino-2-piperidone | 5992.48 | 9011.10 | 5348.80 | |
3-Aminoquinoline | 13751.13 | 12931.71 | 13926.62 | |
3-DeoxyvitaminD3 | 5107.33 | 6064.09 | 6160.63 | |
3-dodecynoicacid | 26224.03 | 22298.41 | 22821.70 | |
3E,13Z-octadecadien-1-ol | 16343.77 | 22570.91 | 17541.30 | |
3E,5E-tridecadienoicacid | 311229.87 | 414747.31 | 256958.30 | |
3-IndoleaceticAcid | 14005.33 | 13665.19 | 12138.57 | |
3-Indolepropionicacid | 5858.96 | 6331.91 | 6942.73 | |
(3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate | 4096.44 | 4088.68 | 4502.00 | |
3^-Methoxy-E,E-dienoestrol | 9942.88 | 17008.12 | 12855.57 | |
3-Nitrotyrosine | 16791.97 | 14157.52 | 14010.97 | |
3-oxo-4-pentenoicacid | 6620.50 | 4558.41 | 6244.62 | |
3R-hydroxy-5Z-dodecenoicacid | 7070.43 | 7023.00 | 8337.26 | |
3-tert-butyl-3-butenoicacid | 4681.50 | 5200.17 | 5188.38 | |
4,6-dioxoheptanoicacid | 3678.84 | 3298.22 | 3309.72 | |
4,7,10,13,16-docosapentaenoicacid | 12585.22 | 12452.60 | 9139.33 | |
4,7,10,13-hexadecatetraenoicacid | 29246.82 | 33157.52 | 27075.40 | |
4,8,12,15,19,21-tetracosahexaenoicacid | 52861.18 | 30611.91 | 21703.36 | |
4-Aminobutyraldehyde | 57681.45 | 64020.50 | 62547.41 | |
4-Aminobutyraldehyde+5.1793814 | 35635.10 | 38588.41 | 39671.47 | |
4-Aminobutyraldehyde+5.271877 | 48441.97 | 61329.87 | 55391.17 | |
4-Aminobutyraldehyde+5.382866 | 26764.57 | 29579.67 | 25794.52 | |
4-Aminobutyraldehyde+5.617605 | 12228.80 | 9111.08 | 13785.42 | |
4-Aminobutyraldehyde+6.510029 | 5049.20 | 5002.00 | 5584.25 | |
4-(diaminomethylideneamino)butanoicacid | 5405.44 | 5170.13 | 5110.42 | |
4-dodecynoicacid | 33516.90 | 58300.59 | 33900.47 | |
4-Hydroxybenzylcyanide | 268552.23 | 235050.62 | 223341.60 | |
4-Hydroxybenzylcyanide+6.59952 | 8719.93 | 7751.24 | 5836.38 | |
4-Hydroxybenzylcyanide+6.609466 | 10634.23 | 9911.03 | 11761.38 | |
4-Hydroxypyridine | 61507.96 | 31271.22 | 54156.07 | |
4-Hydroxypyridine+1.305617 | 6712.71 | 4196.73 | 5057.71 | |
4-Hydroxypyridine+3.056915 | 80058.63 | 105685.96 | 122902.37 | |
4-Pyridoxicacid | 8089.50 | 21108.55 | 16121.88 | |
4-Pyridoxicacid+2.8116002 | 16352.64 | 13707.00 | 10026.88 | |
4-undecynoicacid | 20115.43 | 23256.00 | 13006.68 | |
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin | 5796.61 | 4924.67 | 4731.80 | |
5-Acetyl-4-methylthiazole | 5449.60 | 4726.96 | 5009.91 | |
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid | 42655.37 | 37388.91 | 34386.07 | |
5-(hydroxymethyl)-2-Furancarboxylicacid | 10770.00 | 11824.41 | 7589.75 | |
5-(hydroxymethyl)-2-Furancarboxylicacid+5.6119556 | 11008.14 | 14143.64 | 11830.65 | |
5-(hydroxymethyl)-2-Furancarboxylicacid+5.7976537 | 7912.15 | 9783.30 | 7574.38 | |
5-Methylthioribose | 114322.80 | 92682.59 | 99355.20 | |
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB] | 17747.50 | 17912.12 | 19147.08 | |
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+1.8134243 | 6706.50 | 7638.94 | 6105.73 | |
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+2.088407 | 8344.15 | 10002.00 | 7997.11 | |
5-oxo-7-octenoicacid | 5886.25 | 5254.41 | 4331.83 | |
5Z,8Z-tetradecadienoicacid | 77908.47 | 75458.09 | 101440.30 | |
6-[3]-ladderane-1-hexanol | 17398.10 | 11277.81 | 12319.27 | |
6,8,10,12-pentadecatetraenal | 27651.63 | 23588.10 | 23468.93 | |
6,9,12-hexadecatrienoicacid | 96342.13 | 68107.03 | 86020.07 | |
6alpha-Hydroxycastasterone | 207311.10 | 195821.64 | 179090.10 | |
6alpha-Hydroxycastasterone+1.0918373 | 33864.73 | 98812.43 | 21654.50 | |
6-Formylindolo[3,2-B]carbazole | 18967.20 | 17831.03 | 19805.00 | |
6-methyltetrahydropterin | 12800.56 | 14328.83 | 23165.48 | |
7,12-Dioxo-5beta-cholan-24-oicAcid | 7125.32 | 11499.78 | 6830.36 | |
7,8-dihydroxystearicacid | 16603.11 | 20245.29 | 19083.92 | |
7-Aminoclonazepam | 204778.80 | 224832.23 | 227784.60 | |
8-Amino-7-oxononanoate | 138603.86 | 12709.58 | 9491.31 | |
8-Amino-7-oxononanoate+7.294702 | 15876.90 | 15499.77 | 15417.10 | |
8-Hydroxypromazine | 6712.12 | 6437.89 | 6317.43 | |
8-methoxy-13-hydroxy-9,11-octadecadienoicacid | 28000.60 | 26454.75 | 26243.41 | |
8R-hydroxy-9Z-octadecenoicacid | 41465.13 | 79467.50 | 19349.50 | |
9-amino-nonanoicacid | 3459.72 | 4204.11 | 3835.16 | |
9-chloro-10-hydroxy-hexadecanoicacid | 20194.50 | 26702.33 | 15618.15 | |
9-chloro-10-hydroxy-hexadecanoicacid+1.4075756 | 9133.00 | 19483.89 | 8957.29 | |
9-hydroxy-12-oxo-10-octadecenoicacid | 9092.50 | 8079.08 | 7348.18 | |
9-lauroleicacid | 39827.20 | 38338.66 | 36692.37 | |
9R-hydroxy-10E-octadecenoicacid | 235882.53 | 401699.69 | 316119.87 | |
ACECLIDINE | 75338.42 | 10047.25 | 8114.46 | |
Acetamide | 3505.35 | 5764.22 | 4084.73 | |
Acetamide+1.3928151 | 4605.88 | 4061.59 | 4103.85 | |
Acetamide+2.071302 | 3730.07 | 4371.71 | 3568.05 | |
Acetoaceticacid | 24709.33 | 24060.10 | 25001.53 | |
Acetoin | 4382.58 | 3725.28 | 4817.91 | |
Acetoin+1.2081687 | 7159.04 | 7020.14 | 6984.86 | |
Acetoin+1.6314733 | 15127.20 | 15082.53 | 17538.97 | |
Acipimox | 69565.67 | 61175.16 | 57562.87 | |
Adenine | 6243.56 | 7091.70 | 6761.18 | |
AGELASINE | 4782.48 | 6402.00 | 5488.18 | |
AlaLeu | 11155.54 | 11697.87 | 10636.03 | |
AlaSerTrp | 9064.86 | 8770.48 | 8743.81 | |
alpha-Hydroxymetoprolol | 12702.93 | 13811.16 | 11916.66 | |
Amiloride | 115170.80 | 90984.47 | 107208.29 | |
Anandamide(20:2,n-6) | 24621.22 | 53752.08 | 20225.92 | |
ANCITABINE | 14348.77 | 13867.06 | 29975.07 | |
Aniline | 44680.38 | 35815.00 | 47240.19 | |
Aniline+5.6175404 | 71144.67 | 52542.39 | 74467.30 | |
ANISOMYCIN | 12718.67 | 10486.58 | 7288.13 | |
ARECOLINE | 20129.12 | 9315.83 | 23134.56 | |
Arginine | 8223.12 | 11149.47 | 8475.71 | |
AsnAlaAsn | 4938.73 | 4749.15 | 4387.81 | |
AsnProLys | 6880.82 | 7515.56 | 8415.86 | |
Asymmetricdimethylarginine | 5538.50 | 6289.44 | 7869.23 | |
Azatadine | 2030291.58 | 136855.10 | 815718.82 | |
Benserazide | 23011.53 | 22694.06 | 23341.10 | |
beta-Alanine | 9712.23 | 10732.43 | 10045.77 | |
beta-Alanine+6.93935 | 5579.52 | 5601.13 | 5532.07 | |
beta-vinylacrylicacid | 5118.69 | 6430.56 | 4893.82 | |
Bilirubin | 80585.55 | 495734.24 | 88485.15 | |
Bilirubin+3.949239 | 121791.13 | 101337.97 | 106518.20 | |
BiliverdinIX | 103803.67 | 110611.44 | 119244.50 | |
BiliverdinIX+1.4045436 | 63491.57 | 193898.29 | 92810.67 | |
BiliverdinIX+1.4682751 | 155504.32 | 105402.20 | 167789.12 | |
BiliverdinIX+1.6236403 | 78664.67 | 127567.20 | 93296.79 | |
BiliverdinIX+2.0339859 | 10459.68 | 13242.69 | 9435.52 | |
BiliverdinIX+3.9496963 | 5728.12 | 5861.93 | 4472.75 | |
Bis(2-hydroxypropyl)amine | 100572.23 | 107308.84 | 105114.47 | |
Bis(2-hydroxypropyl)amine+5.481559 | 33329.42 | 35702.96 | 37167.08 | |
Bis(2-hydroxypropyl)amine+5.6003766 | 84752.18 | 85112.34 | 84880.73 | |
Buprenorphine | 114903.83 | 104483.68 | 105430.27 | |
Buprenorphine+6.5073805 | 10391.24 | 16534.74 | 9035.67 | |
B-ureidoisobutyricacid | 5297.92 | 4685.63 | 4889.48 | |
C17Sphinganine | 16976.84 | 31854.23 | 22693.21 | |
C20-OHSulfatide | 50729.33 | 49207.00 | 53521.50 | |
Caffeine | 492312.96 | 432163.87 | 408086.78 | |
campesta-5,22E-dien-3beta-ol | 23105.87 | 17315.47 | 16878.48 | |
Capryloylglycine | 10970.32 | 11615.77 | 15086.81 | |
Carbaryl | 37088.57 | 26068.56 | 20867.13 | |
carisoprodol | 25855.37 | 26915.32 | 25888.93 | |
CARYLOPHYLLENEOXIDE | 7731.46 | 5490.72 | 5989.14 | |
cefamandolenafate | 18280.48 | 19676.08 | 17792.50 | |
Chlorambucil | 5320.00 | 5237.04 | 6114.35 | |
Chloramphenicolalcohol | 48851.17 | 61314.68 | 41112.00 | |
Chloramphenicolalcohol+3.2187703 | 12090.33 | 9046.97 | 7684.70 | |
ciclopirox | 6207.95 | 6586.70 | 6098.80 | |
cis-11-Hexadecenal | 12613.43 | 13892.44 | 12730.00 | |
Creatine | 124893.07 | 132284.94 | 127675.43 | |
Creatinine | 12057.93 | 12204.39 | 9409.52 | |
Creatinine+4.034313 | 12475455.30 | 12336029.25 | 11804225.20 | |
cyclandelate | 12956.53 | 14677.97 | 13279.40 | |
cyclohexylammonium | 22917.86 | 22172.14 | 26573.86 | |
cyclohexylammonium+2.7358363 | 5580.26 | 5614.23 | 6104.95 | |
cyclohexylammonium+5.197659 | 12959.89 | 14192.21 | 12384.65 | |
CysAsnThr | 14855.96 | 12821.57 | 14651.03 | |
CysIleHis | 5169.62 | 4805.44 | 5113.44 | |
Cytosine | 9817.66 | 8922.03 | 8248.50 | |
Cytosine+3.4283657 | 17426.70 | 17008.33 | 16176.63 | |
Cytosine+3.9679208 | 7773.00 | 7691.54 | 11324.36 | |
D-1-Piperideine-2-carboxylicacid | 4760.53 | 4738.60 | 3999.83 | |
D-Biotin | 12524.20 | 5717.92 | 8144.44 | |
deschlorobenzoylIndomethacin | 29792.85 | 24394.50 | 29343.42 | |
D-Glucose | 276695.07 | 233600.84 | 237806.43 | |
D-Glucose+2.9642036 | 19983.47 | 18313.00 | 22964.26 | |
D-Homogesterone | 11504.41 | 11821.17 | 7417.90 | |
Diacetyl | 4470.47 | 4399.60 | 4369.00 | |
Diacetyl+2.5974343 | 15268.87 | 13672.12 | 15270.64 | |
Diacetyl+2.7385557 | 11592.23 | 11959.57 | 12188.00 | |
Diethanolamine | 9440.38 | 10640.64 | 10070.50 | |
Diethanolamine+5.527126 | 12252.54 | 13163.58 | 12051.43 | |
Diethanolamine+5.649868 | 13057.75 | 10603.29 | 11962.19 | |
Diethanolamine+5.8253593 | 36482.03 | 38536.97 | 39134.00 | |
Diethanolamine+6.332912 | 17198.00 | 16014.32 | 22515.77 | |
Diethanolamine+6.525427 | 6638.70 | 4120.04 | 5311.36 | |
Diethanolamine+6.6559505 | 5246.69 | 5517.57 | 5007.45 | |
DIHYDROFISSINOLIDE | 26429.44 | 10533.04 | 22328.83 | |
DIHYDRO-OBLIQUIN | 7020.31 | 6522.32 | 5697.58 | |
Dihydroxylycopene/OH-Rhodopin | 4977.00 | 10041.58 | 4293.50 | |
Dimethylglycine | 5830.48 | 5385.85 | 6015.59 | |
Dimethylglycine+2.050125 | 7551.69 | 6140.64 | 6445.62 | |
Dimethylglycine+2.8044205 | 11806.00 | 8001.26 | 9431.57 | |
Dimethylglycine+4.069634 | 5584.47 | 5948.08 | 6685.00 | |
Dimethylglycine+6.2130203 | 6975.00 | 6399.65 | 5034.47 | |
Dimethylglycine+6.4713974 | 7705.93 | 8050.74 | 8663.77 | |
dimethylsulfoxide | 8750.47 | 6918.00 | 7962.70 | |
DL-2-Aminooctanoicacid | 486694.10 | 417962.19 | 377185.93 | |
DL-2-Aminooctanoicacid+6.14302 | 8085.53 | 4638.44 | 9120.67 | |
DL-2-Aminooctanoicacid+6.892978 | 5971.18 | 6677.79 | 5823.27 | |
D-Leucicacid | 4864.12 | 9749.20 | 6075.90 | |
D-Leucicacid+1.7741078 | 4950.00 | 5162.32 | 6150.54 | |
(E)-2-Methylglutaconicacid | 219496.54 | 212668.62 | 184870.50 | |
(E)-2-Methylglutaconicacid+2.7288678 | 204206.12 | 186641.28 | 177040.44 | |
(E)-2-Methylglutaconicacid+7.1860867 | 27185.70 | 27034.81 | 26245.73 | |
Ecgonine | 50535.80 | 47080.71 | 47018.53 | |
Ecgonine-methylester | 10035.57 | 8922.87 | 9193.00 | |
Ectoine | 4717.29 | 5633.75 | 3435.33 | |
epsilon-Caprolactam | 63595.59 | 70715.23 | 52877.17 | |
epsilon-Caprolactam+6.1013503 | 13959.85 | 8242.50 | 9693.67 | |
epsilon-Caprolactam+6.236251 | 9261.75 | 6395.61 | 9894.43 | |
Ergoline-8-methanol,10-methoxy-1,6-dimethyl- | 3935.88 | 3557.50 | 2958.09 | |
Erythromycin | 7129.83 | 7537.74 | 6743.10 | |
Estradiolvalerate | 4239.62 | 2516.75 | 4294.60 | |
Estronesulfate | 3324.18 | 3148.60 | 3923.60 | |
Ethosuximide | 60163.35 | 24338.77 | 41778.21 | |
EthosuximideM7 | 6653.61 | 5668.73 | 5855.68 | |
Fexofenadine | 28068.97 | 26025.97 | 25192.40 | |
Formestane | 28558.40 | 28803.06 | 27312.67 | |
Gabapentin | 8127.00 | 8035.16 | 7645.70 | |
GlcAbeta-Cer(d18:1/18:0) | 91014.83 | 130334.41 | 99356.43 | |
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) | 7071.58 | 6631.08 | 6721.23 | |
Glucoheptonicacid | 26284.50 | 34106.75 | 33122.33 | |
Glucosamine | 232407.38 | 189134.78 | 162781.06 | |
Glucosamine+2.7338603 | 154556.06 | 130323.33 | 187792.56 | |
GluGlu | 10596.44 | 8777.64 | 9850.08 | |
Glutaral(Glutaraldehyde) | 6266.90 | 4173.00 | 4327.74 | |
Glutaral(Glutaraldehyde)+6.687109 | 4253.10 | 14840.25 | 5242.50 | |
Glycoursodeoxycholicacid | 17930.96 | 24493.19 | 11586.23 | |
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1334090.62 | 1875881.78 | 493721.71 | |
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 24264.82 | 29548.94 | 30204.00 | |
GPEtn(18:0/18:3(9Z,12Z,15Z))[U] | 14894.32 | 14983.20 | 15830.46 | |
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] | 20104.32 | 25669.66 | 23559.33 | |
GPEtn(18:1(11Z)/18:1(9Z))[U] | 89384.77 | 37300.19 | 67673.48 | |
GPEtn(18:1(11Z)/18:1(9Z))[U]+2.416716 | 25026.60 | 11071.35 | 20287.80 | |
GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U] | 57890.71 | 10038.95 | 39579.83 | |
GPEtnNMe(18:2(9Z,12Z)/18:2(9Z,12Z))[U] | 17819.47 | 44477.88 | 54419.85 | |
GPSer(16:0/18:1(11Z)) | 10675.88 | 6189.58 | 8623.96 | |
GuanidinosuccinicAcid | 16340.33 | 18064.94 | 17407.57 | |
GuanidinosuccinicAcid+5.802178 | 13165.83 | 14452.81 | 13520.83 | |
HARMINE | 15314.56 | 13551.07 | 10544.60 | |
HECOGENINACETATE | 13294.63 | 21834.72 | 13925.22 | |
Hippuricacid | 199918.87 | 166379.35 | 232975.37 | |
Homoserine | 50560.10 | 33572.18 | 47148.39 | |
Hydroxyhydroquinone | 47731.32 | 46944.72 | 45307.86 | |
Hydroxyhydroquinone+2.737934 | 32450.43 | 40731.38 | 35195.18 | |
Hypoxanthine | 280874.93 | 616370.75 | 444943.27 | |
Hypoxanthine+2.7105587 | 337374.54 | 365714.95 | 238178.26 | |
IleSerLys | 11916.40 | 15037.03 | 11415.83 | |
INDOLE-3-CARBINOL | 26688.85 | 33123.83 | 30219.88 | |
Indole-3-ethanol | 5771.77 | 7620.52 | 6649.62 | |
Indole-3-ethanol+5.1084623 | 10502.48 | 12590.54 | 9874.66 | |
Indole-3-ethanol+6.418022 | 6357.79 | 6631.23 | 5823.59 | |
Indoleacetaldehyde | 7988.53 | 10941.29 | 11988.00 | |
Indoleacrylicacid | 29737.67 | 31005.25 | 25360.87 | |
Indoleacrylicacid+5.4790144 | 9764.43 | 5551.57 | 9174.83 | |
Indoleacrylicacid+5.505976 | 49638.75 | 47060.81 | 52911.87 | |
Indoleacrylicacid+5.610031 | 31166.27 | 36712.88 | 33916.17 | |
Ins-1-P-Cer(d18:1/22:0) | 13137.05 | 14291.00 | 13732.68 | |
isoamylnitrite | 11000.63 | 9265.08 | 9948.32 | |
isoamylnitrite+1.8073217 | 12467.90 | 11379.45 | 10555.03 | |
Isoleucine | 117719.57 | 127221.41 | 122456.20 | |
Isoniazid | 10362.68 | 9793.78 | 9418.90 | |
Isopentenyladenine | 2313993.47 | 2359210.71 | 2265296.17 | |
Isoquinoline | 6159.75 | 6082.87 | 5957.07 | |
IsoquinolineN-oxide | 5866.53 | 5867.43 | 4116.75 | |
ISOSAFROLE | 4395.07 | 4017.04 | 3510.79 | |
ISOSAFROLE+1.0978807 | 4248.08 | 4102.93 | 3929.33 | |
Ketaminemetabolite(Cyclohexanone,2-(2-chlorophenyl)-5-hydrox... | 8964.68 | 7509.43 | 8319.13 | |
KOBUSONE | 60543.54 | 47331.12 | 39383.73 | |
L-2-Aminoadipicacid | 42070.29 | 10248.00 | 28541.82 | |
L-2-Aminoadipicacid+2.5918813 | 8235.30 | 11626.25 | 8045.95 | |
L-4-Hydroxy-3-methoxy-a-methylphenylalanine | 6352.93 | 6649.83 | 7596.44 | |
Lacticacid | 19952.58 | 19469.50 | 15280.71 | |
Leucine | 26171.37 | 25473.22 | 27219.80 | |
Leucine+4.3551145 | 5137.62 | 4816.93 | 4854.54 | |
Leucine+5.7213707 | 193260.53 | 190153.56 | 195565.47 | |
Leucine+6.7406497 | 9049.22 | 12301.90 | 7480.71 | |
Leupeptin | 8985.12 | 7867.09 | 9567.95 | |
LeuPro | 75924.73 | 70867.74 | 61231.20 | |
LeuPro+8.030013 | 96534.23 | 81530.43 | 76214.87 | |
LeuProPro | 5090.32 | 5876.82 | 5508.68 | |
LEVULINICACID,3-BENZYLIDENYL- | 6469.73 | 5688.66 | 5550.30 | |
L-gamma-Cyano-gamma-aminobutyricacid | 20706.47 | 16097.32 | 13740.40 | |
L-gamma-Cyano-gamma-aminobutyricacid+1.2438003 | 3632.84 | 3706.65 | 3788.21 | |
L-Glutamicaciddibutylester | 113419.10 | 97513.16 | 86474.87 | |
Lorazepamglucuronide | 2906.93 | 2866.12 | 2833.92 | |
Loroxanthinester/Loroxanthindodecenoate | 4777.46 | 5081.76 | 4388.23 | |
L-Urobilin | 60959.17 | 20977.41 | 29921.67 | |
LysGlnIle | 75049.00 | 77749.08 | 88310.18 | |
LysHisMet | 1204167.63 | 1145720.34 | 1288971.67 | |
Mazindol | 44154.50 | 49630.45 | 50629.93 | |
Mefloquine | 2288.11 | 2251.96 | 2291.04 | |
Methionine | 36281.33 | 30956.53 | 37270.53 | |
Methylglyoxal | 11124.69 | 17546.50 | 13107.27 | |
Methylglyoxal+2.6626153 | 11552.12 | 9771.88 | 10943.72 | |
MetTrpGln | 10031.46 | 16361.44 | 7685.70 | |
MYCOPHENOLICACID | 7400.28 | 8587.44 | 7502.00 | |
myo-Inositol | 93625.92 | 68318.47 | 74552.86 | |
N1-Acetylspermidine | 8179.73 | 8933.26 | 8246.55 | |
N1,N4-Diacetylsulfanilamide | 9172.17 | 13958.77 | 12790.14 | |
N-(2-hydroxyethyl)palmitamide | 52438.38 | 44645.57 | 57928.26 | |
N-(2-hydroxyethyl)stearamide | 26172.22 | 21703.00 | 28234.32 | |
N2,N2-Dimethylguanosine | 17462.97 | 14662.03 | 13880.40 | |
N^-5Z,8Z,11Z,14Z-eicosatetraenoyl-N^^-diethyl-ethylenediamin... | 18415.43 | 12986.82 | 7127.71 | |
N-Acetylarylamine | 3779.00 | 3686.35 | 3785.18 | |
N-Acetylcadaverine | 13803.67 | 4637.00 | 16955.94 | |
Nadolol | 214078.93 | 263700.23 | 174462.18 | |
Nalorphine | 26947.10 | 60785.81 | 34362.43 | |
Naphazoline | 3704.11 | 3537.67 | 3299.86 | |
N-arachidonoylD-serine | 8537.92 | 8562.50 | 12556.58 | |
Netilmicin | 74466.53 | 85014.68 | 521864.00 | |
Nevirapine | 9795.81 | 9184.00 | 9303.74 | |
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine | 105094.09 | 92953.43 | 80234.05 | |
n-HexanoicAcid | 5707.83 | 12362.94 | 5925.80 | |
N-HISTIDYL-2-AMINONAPHTHALENE(betaNA) | 141707.10 | 21782.19 | 25679.37 | |
Niacinamide | 63520.79 | 67840.00 | 82956.60 | |
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide) | 302557.43 | 285340.62 | 245444.10 | |
N-methyl-Gabapentin | 4753.47 | 4281.91 | 2823.27 | |
n-methylnicotinamide | 6519.15 | 5582.60 | 6387.57 | |
n-methylnicotinamide+6.0330334 | 66603.63 | 96460.84 | 72198.07 | |
N,N-dimethylhistidine | 5932.00 | 8662.30 | 6407.73 | |
N,O-Didesmethylvenlafaxine | 24444.39 | 37469.44 | 22975.50 | |
Norcodeine | 531386.86 | 1266760.12 | 636971.67 | |
Normeperidinicacid | 3756.95 | 4190.44 | 3884.07 | |
N(pai)-Methyl-L-histidine | 7142.75 | 5054.00 | 4429.60 | |
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoylamine | 3961.00 | 4107.60 | 5259.50 | |
o-Hydroxyaniline | 20669.52 | 17613.88 | 17961.56 | |
OLEANANOICACIDACETATE | 44241.23 | 29022.39 | 23092.50 | |
OphiobolinA | 15178.44 | 10450.26 | 14349.63 | |
o-Toluenesulfamide | 6091.50 | 6765.22 | 6340.82 | |
p-Aminobenzoicacid | 179754.23 | 146343.65 | 177143.07 | |
PantothenicAcid | 100613.03 | 117857.65 | 96048.47 | |
Parasiloxanthin/7,8-Dihydrozeaxanthin | 59412.24 | 74126.23 | 58824.42 | |
p-Coumaricacid | 21709.50 | 21837.97 | 22713.57 | |
pentanamide | 10663.27 | 10860.61 | 10763.00 | |
Pergolide | 7090.55 | 9634.17 | 8750.85 | |
PGF2alphaisopropylester | 30234.43 | 24836.72 | 46789.81 | |
Phenacetine | 4518.68 | 3655.44 | 3658.22 | |
Phenylethylmalonamide(PEMA) | 14343.00 | 13231.85 | 15233.11 | |
Phenylmethylmethylketone | 7314.41 | 7316.10 | 7718.46 | |
PhthalicacidMono-2-ethylhexylEster | 29102.50 | 26768.19 | 25165.10 | |
p-Hydroxyaniline | 33043.25 | 11917.00 | 25387.59 | |
p-HYDROXYCINNAMALDEHYDE | 166960.17 | 180635.03 | 163686.20 | |
Pinacidil | 9165.46 | 8077.75 | 6612.07 | |
Pinacidil+6.5333734 | 127411.80 | 118291.84 | 108935.53 | |
Pinacidil-N-Oxide | 6758.37 | 5666.52 | 5968.71 | |
ProArgAsp | 88074.76 | 92065.85 | 90742.85 | |
ProHis | 9813.07 | 13662.03 | 47129.14 | |
Proline | 615173.17 | 569324.13 | 509130.10 | |
Proline+1.2899779 | 3592.17 | 3767.50 | 3849.06 | |
Propionylglycinemethylester | 23972.43 | 15701.23 | 18548.00 | |
Propionylglycinemethylester+3.163646 | 71934.00 | 54569.09 | 26383.20 | |
Propionylglycinemethylester+6.2598743 | 36344.71 | 12114.21 | 21395.05 | |
Propofol | 7963.28 | 6682.65 | 7215.81 | |
PROPOXUR | 5537.95 | 6004.93 | 5215.88 | |
ProTyr | 38973.17 | 19871.30 | 18007.25 | |
Purine | 386441.69 | 376060.46 | 409902.41 | |
Purine+0.8148545 | 481734.21 | 576540.00 | 504561.38 | |
Purine+1.0468682 | 322120.00 | 322753.15 | 362361.59 | |
Pyrazinoicacid | 8957.93 | 7492.61 | 7346.23 | |
Pyridine | 9858.15 | 8819.12 | 9724.43 | |
Pyridoxamine | 9724.00 | 9450.37 | 8469.40 | |
Pyroglutamicacid | 12957.53 | 11264.57 | 10295.75 | |
Pyroglutamicacid+5.8255005 | 4563.87 | 5607.03 | 4488.30 | |
Pyroglutamicacid+6.828353 | 15689.67 | 16958.97 | 16530.90 | |
QUERCETINTETRAMETHYL(5,7,3^,4^)ETHER | 4220.75 | 3418.64 | 4290.13 | |
Quinone | 12208.75 | 11575.36 | 12694.00 | |
Rimiterol | 11405.81 | 14396.41 | 8226.53 | |
Salicyluricacid | 33529.31 | 65403.85 | 37806.46 | |
S-Methylpenicillamine | 4996.55 | 3751.71 | 4500.18 | |
sn-1,2-Dioctanoylglycerol | 48903.53 | 56040.03 | 47983.20 | |
stigmasta-7,22E,25-trien-3beta-ol | 40148.55 | 24294.69 | 32403.37 | |
Sulfaquinoxaline | 16117.80 | 16768.48 | 16509.63 | |
Taurine | 4022.09 | 3621.18 | 4188.04 | |
TEGASEROD | 4297.82 | 7993.67 | 4561.72 | |
TEGASEROD+6.4934783 | 3870.81 | 3862.00 | 3318.38 | |
Terephthalicacid | 4827.28 | 4348.79 | 3851.40 | |
Tetrahydrofuran | 5362.30 | 7045.32 | 6006.31 | |
Theobromine | 15701.96 | 18495.24 | 14633.67 | |
Theobromine+1.4370109 | 436067.13 | 536322.00 | 492415.68 | |
Tiamulin | 26978.10 | 26864.19 | 24136.20 | |
Tiamulin+6.5371113 | 368605.50 | 410089.16 | 344792.03 | |
Tranexamicacid | 4426.88 | 4796.33 | 4669.93 | |
Tranexamicacid+1.6364517 | 30734.64 | 38870.13 | 19781.12 | |
Tranexamicacid+6.7028675 | 55490.20 | 47378.23 | 43069.93 | |
Traumaticacid | 8322.28 | 8810.68 | 7535.68 | |
Trihydroxycoprostanoicacid | 17663.88 | 21140.79 | 13409.38 | |
Trimethylamine | 7842.67 | 8228.53 | 8273.60 | |
Triparanol | 22600.67 | 21444.57 | 22712.53 | |
Triparanol+6.444099 | 19907.63 | 14486.26 | 24133.73 | |
Triparanol+6.739891 | 3184952.23 | 2941145.58 | 1473553.87 | |
Triparanol+7.1791935 | 7213.40 | 6935.21 | 7113.41 | |
TROMETHAMINE | 11163.28 | 9010.52 | 12212.00 | |
TROMETHAMINE+5.1856112 | 16476.48 | 14224.17 | 15643.46 | |
TROMETHAMINE+5.4366517 | 26951.63 | 21248.25 | 23899.53 | |
TROMETHAMINE+5.5924644 | 17281.15 | 18279.77 | 15698.86 | |
TROMETHAMINE+5.7465215 | 21062.43 | 14287.20 | 19564.73 | |
TROMETHAMINE+5.827722 | 22429.67 | 16981.00 | 16918.00 | |
TROMETHAMINE+5.9955096 | 8132.41 | 9565.52 | 12628.00 | |
TROMETHAMINE+6.2190123 | 10017.27 | 8933.29 | 7372.84 | |
TROMETHAMINE+6.6530137 | 5043.43 | 4760.12 | 5050.45 | |
TrpAlaIle | 9748.35 | 6471.84 | 10264.48 | |
TrpArgGly | 2659.94 | 3019.56 | 2625.27 | |
TrpTyrTyr | 23263.67 | 26534.24 | 18674.71 | |
Ubiquinone | 7846.10 | 7492.87 | 6227.36 | |
Ubiquinone+1.1367501 | 33814.80 | 31177.47 | 27623.21 | |
Uracil | 24089.20 | 26596.45 | 26185.80 | |
Urea | 194968.00 | 476873.65 | 114668.23 | |
Urea+5.482235 | 4307.72 | 5216.63 | 4371.07 | |
Uricacid | 17280.37 | 11177.33 | 10816.17 | |
Uridine | 390156.43 | 347147.68 | 332111.70 | |
Urocanicacid | 19642.47 | 29484.20 | 14127.77 | |
Urocanicacid+2.856702 | 6622.43 | 23296.32 | 5416.29 | |
URSINICACID | 12198.52 | 15835.74 | 15033.77 | |
VALERYLSALYCILATE | 49106.80 | 60663.80 | 85653.08 | |
ValHisAsn | 17378.90 | 16953.90 | 18425.28 | |
Valine | 124146.83 | 128051.16 | 130462.27 | |
Valine+6.60313 | 4112316.10 | 4037330.90 | 3943255.10 | |
ValSerLys | 11512.25 | 15954.92 | 18365.88 | |
ValSerLys+1.0849711 | 16181.24 | 9702.43 | 11386.13 | |
Vigabatrin | 13129.40 | 19996.25 | 16412.37 | |
Vigabatrin+6.2900124 | 84420.90 | 74052.00 | 43265.33 | |
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide | 35298.82 | 32563.03 | 31515.00 |
Factors:
F1 | Cognitive Status:AD |
F2 | Cognitive Status:CN |
F3 | Cognitive Status:MCI |