Data for ST003805
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 11-Deoxycortisol | 21231.60 | 30991.40 | |
| 1-DeoxyCer 18:0;O2/24:1 | 6655.80 | 6766.80 | |
| 1-Methyladenosine | 47722.60 | 47249.20 | |
| 1-Methylguanine | 1981.60 | 1980.80 | |
| 1-Methylhistamine | 45710.80 | 91017.40 | |
| 1-Methyl nicotinamide | 27743.80 | 21715.00 | |
| 2-Aminooctanoic acid | 1137.80 | 1230.40 | |
| 2-Methylguanosine | 11644.60 | 10364.60 | |
| 3^,5^ cyclic AMP | 37784.00 | 43782.20 | |
| 3-Dehydroxycarnitine | 1395279.80 | 1492480.60 | |
| 3-Methoxytyramine | 11048.80 | 7444.60 | |
| 3-Methylhistidine | 30316.60 | 21563.80 | |
| 4-Guanidinobutanoic acid | 46529.20 | 45358.20 | |
| 5-Methylcytidine | 12582.20 | 10692.20 | |
| 5-Methylcytosine | 305.20 | 296.60 | |
| 5^-Methylthioadenosine | 785739.40 | 865144.20 | |
| 7alpha-Hydroxy-4-cholesten-3-one | 27420.80 | 29506.00 | |
| 7-Methylguanine | 23051.60 | 23139.20 | |
| Acetylcholine | 660101.60 | 674461.20 | |
| Adenosine | 6648392.00 | 8744264.80 | |
| Agmatine | 272729.20 | 358694.00 | |
| AICAR | 511263.00 | 550927.40 | |
| Ala-Ala | 7185.40 | 8855.40 | |
| Ala-His | 127882.60 | 138475.20 | |
| Ala-Lys | 2218.00 | 2113.20 | |
| Alanine | 99391.80 | 103764.60 | |
| Ala-Thr | 6261.20 | 6111.00 | |
| Allantoin | 13286015.40 | 10928670.40 | |
| Alloisoleucine | 8825.80 | 9414.80 | |
| Anserine | 2833385.40 | 2890312.20 | |
| Arachidonoyl-EA | 23658.60 | 22264.00 | |
| Arg-Ala | 819.60 | 897.60 | |
| Arginine | 3881516.40 | 4247836.40 | |
| Argininosuccinic acid | 163594.80 | 182291.80 | |
| Asparagine | 35495.00 | 38155.20 | |
| Aspartic acid | 323537.60 | 364166.60 | |
| Asp-Val | 2330.00 | 3059.40 | |
| beta-Alanine | 19492.60 | 21415.80 | |
| Betaine | 1299010.00 | 1236272.20 | |
| Bilirubin | 147334.60 | 182231.00 | |
| Biliverdin | 73836.00 | 118720.00 | |
| Biopterin | 118440.80 | 134759.00 | |
| C14 Sphingosine | 3321.40 | 2379.40 | |
| C16 Sphingosine | 243588.40 | 268279.00 | |
| C17:1 anandamide | 170512.80 | 165516.80 | |
| C20 Sphinganine | 28230.60 | 21296.80 | |
| C20 Sphingosine | 240233.40 | 237863.40 | |
| Cadaverine | 758.60 | 757.00 | |
| CAR 12:0 | 1806.60 | 1817.40 | |
| CAR 14:0 | 94817.00 | 113420.40 | |
| CAR 14:0;OH | 116990.60 | 109657.40 | |
| CAR 14:1 | 462.60 | 394.60 | |
| CAR 15:2 | 868.80 | 4305.60 | |
| CAR 16:0 | 110375.80 | 115562.80 | |
| CAR 16:0;OH | 3818.40 | 3755.00 | |
| CAR 16:1 | 11136.40 | 11005.80 | |
| CAR 18:0 | 52179.20 | 53948.20 | |
| CAR 18:0;OH | 2318.60 | 2195.80 | |
| CAR 18:1 | 64557.80 | 64405.40 | |
| CAR 18:1;OH | 4756.00 | 4345.80 | |
| CAR 2:0 | 4469947.00 | 6071635.40 | |
| CAR 20:0 | 4938.80 | 4413.40 | |
| CAR 20:1 | 4501.20 | 4185.40 | |
| CAR 20:4 | 30255.40 | 31467.80 | |
| CAR 22:0 | 74168.80 | 75242.60 | |
| CAR 22:1 | 79110.80 | 79215.20 | |
| CAR 24:0 | 56072.60 | 60443.40 | |
| CAR 24:1 | 39070.40 | 40561.60 | |
| CAR 3:0 | 27054.40 | 26229.80 | |
| CAR 4:0 | 9910.60 | 14329.40 | |
| CAR 4:0;OH | 46617.60 | 55727.20 | |
| CAR 5:0 | 29511.20 | 40419.40 | |
| CAR 5:0;OH | 151342.40 | 179166.80 | |
| CAR 5:1 | 1515.60 | 1812.80 | |
| CAR 6:0;OH | 4668.60 | 5194.20 | |
| CAR 8:0;OH | 186713.40 | 202631.80 | |
| CAR DC3:0 | 5374.20 | 5607.20 | |
| CAR DC4:0 | 2155.60 | 2338.00 | |
| CAR DC6:0 | 3199.20 | 3352.80 | |
| Carnitine | 12698914.80 | 13055385.80 | |
| Carnosine | 2784.40 | 3757.60 | |
| Cer 18:1;O2/12:0 | 73719.40 | 60709.80 | |
| Cer 18:1;O2/14:0 | 8679.80 | 5092.80 | |
| Cer 18:1;O2/15:0 | 9628.60 | 7306.40 | |
| Cer 18:1;O2/16:0 | 208965.20 | 185177.40 | |
| Cer 18:1;O2/16:1 | 102891.40 | 105386.60 | |
| Cer 18:1;O2/17:0 | 13369.20 | 12696.00 | |
| Cer 18:1;O2/17:1 | 7430.40 | 6965.40 | |
| Cer 18:1;O2/18:0 | 2688934.00 | 2495094.60 | |
| Cer 18:1;O2/18:1 | 267083563.80 | 276663085.20 | |
| Cer 18:1;O2/18:2 | 31104.40 | 32036.80 | |
| Cer 18:1;O2/19:1 | 19558.80 | 21323.60 | |
| Cer 18:1;O2/2:0 | 1025.60 | 768.40 | |
| Cer 18:1;O2/20:0 | 42144.20 | 40109.40 | |
| Cer 18:1;O2/20:1 | 291100.80 | 301980.80 | |
| Cer 18:1;O2/22:0 | 4796.20 | 4187.60 | |
| Cer 18:1;O2/22:1 | 86699.20 | 82912.60 | |
| Cer 18:1;O2/22:2 | 10587.80 | 9684.00 | |
| Cer 18:1;O2/23:1 | 21189.60 | 22523.40 | |
| Cer 18:1;O2/24:1 | 411756.40 | 341549.40 | |
| Cer 18:1;O2/24:2 | 191903.60 | 182544.40 | |
| Cer 18:1;O2/4:0 | 32162.40 | 27056.60 | |
| Cer 18:1;O2/8:0 | 1238.80 | 1502.60 | |
| C-Glycosyltryptophan | 15194.20 | 15402.20 | |
| Choline | 15927019.60 | 15588595.80 | |
| Choline phosphate | 5306635.60 | 5506716.00 | |
| Creatine | 20810427.00 | 21756466.20 | |
| Creatinine | 348659.20 | 361230.00 | |
| Cystine | 4741.00 | 5031.00 | |
| Cytidine | 1209166.40 | 1269578.80 | |
| Cytosine | 18813392.80 | 21062663.80 | |
| Deoxyadenosine | 4977.00 | 1839.20 | |
| Deoxycytidine | 24434.80 | 21351.00 | |
| DG 36:2 | 17937.60 | 21425.40 | |
| DG 36:3 | 389696.00 | 461889.60 | |
| DG 36:4 | 183981.60 | 220731.80 | |
| DG 38:5 | 163554.00 | 186355.60 | |
| Diethanolamine | 153486.40 | 26789.20 | |
| Dimethylarginine | 25737550.40 | 23895713.40 | |
| Ectoine | 37769.40 | 26465.60 | |
| Eicosanoyl-EA | 4470.60 | 3864.40 | |
| FAPy-adenine | 26964.40 | 9516.40 | |
| gamma-Aminobutyric acid | 672431633.40 | 696194776.00 | |
| GlcCer 18:1;O2/18:0 | 281298.20 | 256154.00 | |
| GlcCer 18:1;O2/20:0 | 6550.20 | 4786.60 | |
| GlcCer 18:1;O2/22:0 | 20185.20 | 19347.20 | |
| GlcCer 18:2;O2/22:0 | 103935.80 | 106738.60 | |
| GlcCer 18:2;O2/23:0 | 9135.80 | 9787.40 | |
| Glu-Gln | 35931.60 | 33611.00 | |
| Glu-Gly | 511.00 | 480.40 | |
| Glutamic acid | 1427069.80 | 1469706.60 | |
| Glutamine | 4119796.20 | 4139257.40 | |
| Gly-Arg | 557.40 | 516.40 | |
| Glycine | 11719018.80 | 11405019.00 | |
| Guanidoacetic acid | 3480.00 | 4461.60 | |
| Guanosine | 2247287.40 | 2270966.80 | |
| Heme | 100070.20 | 160869.00 | |
| Histamine | 7670.80 | 7888.60 | |
| Histidine | 108911.20 | 86305.40 | |
| Homoanserine | 24243.80 | 29135.40 | |
| Homoarginine | 17626.80 | 14142.20 | |
| Hydroxyproline | 14405.00 | 16762.60 | |
| Hypotaurine | 8442.40 | 9711.00 | |
| Ile-Pro | 6220.00 | 8267.60 | |
| Imidazolepropionic acid | 3719.40 | 3240.20 | |
| Inosine | 8098153.60 | 8353525.20 | |
| Isoleucine | 52978926.20 | 55262191.00 | |
| Lauroyl diethanolamide | 57775.60 | 47837.60 | |
| Leucine | 81451050.40 | 84201168.60 | |
| Leu-Gly | 1548.20 | 2278.40 | |
| Linoleoyl-EA | 30265.20 | 25868.60 | |
| LPC 14:0 | 13761.40 | 13006.20 | |
| LPC 15:0 | 3664.20 | 3523.80 | |
| LPC 16:0 | 3606681.80 | 3814967.40 | |
| LPC 16:1 | 70674.80 | 69747.40 | |
| LPC 17:0 | 12651.80 | 13639.80 | |
| LPC 18:0 | 634005.40 | 686702.80 | |
| LPC 18:1 | 552490.80 | 564700.80 | |
| LPC 18:2 | 29438.60 | 34767.20 | |
| LPC 20:0 | 10248.40 | 11723.20 | |
| LPC 20:1 | 30424.20 | 33328.40 | |
| LPC 20:4 | 378812.60 | 385422.60 | |
| LPC 22:0 | 12069.60 | 10775.20 | |
| LPC 22:4 | 16577.00 | 18327.60 | |
| LPC 22:6 | 269520.20 | 297421.60 | |
| LPC 24:0 | 13273.40 | 11161.40 | |
| LPC O-16:0 | 7310.20 | 8209.00 | |
| LPC P-16:0 or LPC O-16:1 | 780.20 | 1348.20 | |
| LPC P-18:0 or LPC O-18:1 | 3037.40 | 2999.40 | |
| LPE 16:0 | 246865.00 | 268730.80 | |
| LPE 16:1 | 2508.40 | 2647.00 | |
| LPE 17:0 | 3407.00 | 3614.20 | |
| LPE 18:0 | 1146260.40 | 1317561.40 | |
| LPE 18:1 | 395885.80 | 456891.40 | |
| LPE 18:2 | 5385.20 | 6894.20 | |
| LPE 20:2 | 920.20 | 998.40 | |
| LPE 20:4 | 906099.00 | 950123.40 | |
| LPE 22:6 | 1642143.80 | 1777712.60 | |
| LPE P-18:0 or LPE O-18:1 | 185279.60 | 207015.80 | |
| Lysine | 574892.20 | 589123.20 | |
| Methionine | 157372.00 | 157530.00 | |
| Methionine sulfoxide | 685.80 | 545.80 | |
| Methylguanidine | 286.80 | 255.00 | |
| Methylimidazoleacetic acid | 11788.00 | 21274.40 | |
| Myo-inositol | 1012809.80 | 1171146.00 | |
| N1-Acetylspermidine | 87510.80 | 112372.80 | |
| N1-Methyl-2-pyridone-5-carboxamide | 26071.00 | 27096.00 | |
| N2,N2-Dimethylguanosine | 341952.40 | 305639.40 | |
| N4-Acetylcytidine | 25090.80 | 16139.20 | |
| N(6)-Methyllysine | 66086.60 | 68518.60 | |
| N(6),N(6)-Dimethyl-lysine | 39218.20 | 45003.20 | |
| N-6-Trimethyllysine | 384692.80 | 453430.60 | |
| N-Acetylalanine | 2018.40 | 2003.00 | |
| N-Acetylarginine | 99365.80 | 102421.20 | |
| N-Acetylaspartic acid | 11072761.00 | 11332784.00 | |
| N-Acetyl-D-galactosamine | 3239.20 | 3419.80 | |
| N-Acetyl-D-tryptophan | 185.00 | 226.20 | |
| N-Acetylglutamic acid | 866365.60 | 940188.20 | |
| N-Acetylglutamine | 20679.60 | 17664.60 | |
| N-Acetylglycine | 45539.20 | 27881.20 | |
| N-Acetylhistidine | 316751.20 | 223207.20 | |
| N-Acetylisoputreanine | 20798.40 | 22738.20 | |
| N-Acetylleucine | 1953.60 | 1651.60 | |
| N-Acetylmethionine | 30947.00 | 34410.60 | |
| N-Acetylornithine | 18919.20 | 19420.20 | |
| N-Acetylputrescine | 607.00 | 669.20 | |
| Niacinamide | 17613363.60 | 18176337.20 | |
| N,N-Dicyclohexylamine | 9337.00 | 8370.40 | |
| N,N-dimethylhexadecylamine | 51088.80 | 38719.20 | |
| N-palmitoyl glutamine | 29917.60 | 31918.40 | |
| O-Ethylhomoserine | 7796.40 | 9824.40 | |
| Oleoyl-EA | 77816.20 | 77250.00 | |
| Ornithine | 2782538.20 | 2644646.00 | |
| Palmitoleoyl-EA | 13465.20 | 12658.20 | |
| Palmitoyl-EA | 25928.40 | 27175.80 | |
| Pantothenic acid | 4387504.60 | 4587057.80 | |
| PC 28:0 | 112994.60 | 80627.20 | |
| PC 30:0 | 5897705.80 | 5047132.40 | |
| PC 30:1 | 94983.40 | 84926.00 | |
| PC 31:0 | 960854.40 | 946927.60 | |
| PC 31:1 | 27754.60 | 24677.60 | |
| PC 32:0 | 75028633.60 | 76371026.40 | |
| PC 32:2 | 117517.60 | 110651.20 | |
| PC 33:0 | 385217.20 | 400663.80 | |
| PC 33:1 | 551076.20 | 554115.80 | |
| PC 33:2 | 18683.20 | 17096.80 | |
| PC 34:1 | 106773905.40 | 110147026.20 | |
| PC 34:2 | 70910189.60 | 76720258.60 | |
| PC 34:4 | 35029.60 | 32133.60 | |
| PC 35:2 | 98250.80 | 95012.80 | |
| PC 36:4 | 25818103.20 | 27197096.20 | |
| PC 36:5 | 365796.40 | 356674.80 | |
| PC O-32:0 | 760371.00 | 738048.60 | |
| PC P-32:0 or PC O-32:1 | 381184.00 | 366245.00 | |
| PC P-34:0 or PC O-34:1 | 1866855.80 | 1792730.60 | |
| PC P-34:1 or PC O-34:2 | 222520.00 | 216507.80 | |
| PC P-34:2 or PC O-34:3 | 4245.80 | 4702.00 | |
| PC P-36:0 or PC O-36:1 | 46996.00 | 34200.60 | |
| PC P-36:1 or PC O-36:2 | 89803.80 | 80377.60 | |
| PC P-36:2 or PC O-36:3 | 36354.40 | 37390.80 | |
| PC P-36:3 or PC O-36:4 | 217641.80 | 222703.80 | |
| PC P-36:4 or PC O-36:5 | 157758.20 | 167531.40 | |
| PC P-38:3 or PC O-38:4 | 42244.80 | 42973.60 | |
| PC P-38:4 or PC O-38:5 | 146190.60 | 157647.00 | |
| PC P-38:5 or PC O-38:6 | 109168.60 | 110546.40 | |
| PC P-38:6 or PC O-38:7 | 157462.00 | 174944.80 | |
| PE 32:1 | 61499.40 | 60309.40 | |
| PE 34:1 | 1528318.00 | 1560258.40 | |
| PE 34:2 | 218195.80 | 234059.20 | |
| PE 36:2 | 1422284.20 | 1455071.40 | |
| PE 36:3 | 188697.40 | 211797.40 | |
| PE 36:4 | 1392587.00 | 1479230.00 | |
| PE 37:4 | 29444.80 | 29454.20 | |
| PE 38:4 | 8066976.60 | 8386537.60 | |
| PE 38:6 | 71621047.00 | 75453269.40 | |
| PE 40:6 | 7658904.00 | 8274029.00 | |
| PE P-34:0 or PE O-34:1 | 141999.20 | 131988.60 | |
| PE P-34:1 or PE O-34:2 | 934240.20 | 886519.80 | |
| PE P-34:2 or PE O-34:3 | 97377.40 | 91865.40 | |
| PE P-36:1 or PE O-36:2 | 316604.60 | 295617.60 | |
| PE P-36:2 or PE O-36:3 | 646976.60 | 648053.40 | |
| PE P-36:4 or PE O-36:5 | 1436533.00 | 1440833.80 | |
| PE P-38:2 or PE O-38:3 | 73907.60 | 68007.00 | |
| PE P-38:4 or PE O-38:5 | 2728067.00 | 2851236.40 | |
| PE P-38:5 or PE O-38:6 | 1645684.80 | 1786039.00 | |
| PE P-38:6 or PE O-38:7 | 70611057.00 | 69302124.00 | |
| PE P-39:6 or PE O-39:7 | 81673.60 | 86553.60 | |
| PE P-40:4 or PE O-40:5 | 642796.60 | 683790.60 | |
| PE P-40:6 or PE O-40:7 | 7948473.00 | 8411213.80 | |
| Phe-Leu | 2991.00 | 2156.20 | |
| Phenylalanine | 93853700.80 | 87878304.80 | |
| Phenylalanine-d8 [iSTD] | 128200249.60 | 129811926.00 | |
| Phosphoethanolamine | 487944.20 | 510225.20 | |
| Phytosphingosine | 30270.20 | 29814.20 | |
| Pipecolic acid | 8287.80 | 9009.60 | |
| Pro-Ala | 10170.60 | 11757.40 | |
| Proline | 746743.40 | 704021.20 | |
| Proline betaine | 106427.20 | 50686.20 | |
| Pro-Pro | 18960.40 | 21522.20 | |
| Pro-Val | 1570.00 | 2330.20 | |
| Putrescine | 22739.60 | 23148.60 | |
| Pyroglutamic acid | 3606.20 | 3456.60 | |
| S-Adenosylhomocysteine | 11739.40 | 11566.80 | |
| S-Adenosylmethionine | 232177.00 | 243368.00 | |
| Sarcosine | 87594.20 | 91349.60 | |
| Ser-Arg | 2136.20 | 2324.60 | |
| Serine | 34806.20 | 37738.80 | |
| Serotonin | 22131.60 | 25727.40 | |
| SM 18:1;O2/14:0 | 8761.80 | 8414.60 | |
| SM 18:1;O2/15:0 | 43621.20 | 52922.20 | |
| SM 18:1;O2/16:0 | 656293.80 | 782066.40 | |
| SM 18:1;O2/16:1 | 29853.60 | 39253.60 | |
| SM 18:1;O2/17:0 | 42919.00 | 54368.80 | |
| SM 18:1;O2/18:0 | 10786052.40 | 12590056.00 | |
| SM 18:1;O2/18:1 | 3137454.40 | 4242765.40 | |
| SM 18:1;O2/19:0 | 7288.20 | 9121.40 | |
| SM 18:1;O2/19:1 | 135347.20 | 198461.60 | |
| SM 18:1;O2/20:0 | 156433.60 | 165823.60 | |
| SM 18:1;O2/20:1 | 88181.80 | 111519.40 | |
| SM 18:1;O2/22:0 | 31648.80 | 34333.40 | |
| SM 18:1;O2/22:1 | 64206.20 | 73566.20 | |
| SM 18:1;O2/22:2 | 76068.80 | 96351.60 | |
| sn-Glycero-3-phosphocholine | 4967168.00 | 11163114.40 | |
| Sphinganine | 233651.20 | 253996.00 | |
| Sphingosine | 1169548.80 | 1305775.20 | |
| Symmetric dimethyl-arginine | 18098488.20 | 14121241.20 | |
| Targinine | 112174.40 | 111366.80 | |
| Taurine | 8493360.40 | 8580252.80 | |
| Tetradecylamine | 104746.60 | 114101.80 | |
| TG 46:2 | 18920.00 | 5404.20 | |
| Thiamine | 290733.80 | 308767.20 | |
| Threonine | 20906.00 | 24320.80 | |
| Thymidine | 317388.40 | 327922.00 | |
| Tributylamine | 305523.80 | 273303.40 | |
| Tridecylamine | 11373.40 | 8332.60 | |
| Triethanolamine | 39915.20 | 21777.00 | |
| Trigonelline | 329440.60 | 202127.00 | |
| Trimethylamine N-oxide | 8754547.80 | 10007550.00 | |
| Tryptophan | 12873703.20 | 12123518.80 | |
| Tyramine | 1586.40 | 1599.80 | |
| Tyr-Leu | 1412.40 | 1983.00 | |
| Tyr-Lys | 10462.80 | 12121.60 | |
| Tyrosine | 27723568.60 | 31318091.40 | |
| Urocanic acid | 194421.00 | 63779.60 | |
| Val-Asp | 2487.80 | 2942.80 | |
| Valine | 45057474.60 | 49795153.00 | |
| Valine-d8 [iSTD] | 74949547.00 | 77442585.20 | |
| Xanthine | 806300.60 | 800193.00 | |
| Xanthosine | 30983.40 | 21617.40 |
Factors:
| F1 | Genotype:HET |
| F2 | Genotype:WT |