Data for ST000695
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ | - | - | - | - | - | - | - | - | - | 3899.00 | - | 9604.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12766.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ | - | - | - | 2269.00 | - | 8206.00 | - | - | - | - | - | 24494.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 13627.00 | - | - | - | 19669.00 | - | 4526.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ | - | - | 18430.33 | 7853.50 | 17187.00 | 15996.00 | 6791.00 | 22313.00 | 4666.00 | 11738.00 | 6174.00 | 11720.50 | 6031.00 | 4567.00 | 11245.75 | 17839.00 | 21363.00 | 12166.33 | 21027.00 | 12034.00 | 10931.33 | 15295.00 | 10758.00 | 23748.00 | 11511.00 | 15978.00 | 18010.00 | 5688.00 | 18134.00 | 11251.00 | 10127.50 | 12037.33 | 14237.33 | 23694.50 | 12742.50 | 17118.50 | 13353.50 | - | 8988.50 | 11549.00 | 12077.50 | 5440.00 | - | 14598.00 | 13085.00 | 12980.00 | ||
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ | 37227.00 | - | 178300.50 | 81628.33 | 80000.33 | - | 95031.00 | - | 61756.50 | 54935.67 | 21625.00 | 199543.50 | 85383.00 | 75207.00 | 157056.00 | 357173.00 | 208864.00 | 103442.50 | 397395.00 | 223089.50 | 174621.33 | 170134.50 | - | 424105.00 | 25155.67 | 567866.00 | 126971.75 | - | 317840.00 | 282798.00 | 34895.00 | 374320.67 | 205856.00 | 235661.50 | - | 396199.00 | 373096.50 | 254232.00 | - | 251236.00 | 220210.33 | 168280.00 | - | 218957.00 | - | 192897.50 | ||
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ | - | - | 1436344.50 | 1125702.00 | 853951.00 | 1213149.00 | - | - | 875522.00 | 83902.00 | 610639.00 | 998385.00 | 2077102.00 | 1170883.00 | 787657.75 | 314257.00 | 1154869.00 | 770667.33 | 590776.00 | 305471.00 | 1279111.33 | 832249.33 | 1203857.00 | 879327.00 | 1278567.33 | 624694.00 | 1040838.00 | 208872.00 | 769225.00 | 333558.00 | 714779.00 | - | 1026708.50 | - | 863870.50 | 1724562.00 | 741951.67 | - | 554319.50 | 987789.00 | 878768.33 | - | 961197.00 | 1155485.00 | 1531039.00 | 688372.00 | ||
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ | 631169.00 | 1292292.00 | 7090394.33 | 3356595.67 | 1627853.00 | 2512363.33 | 2835289.00 | 987006.00 | 4907186.00 | 4148857.33 | 4106207.00 | 2733452.33 | 2614365.00 | 2060437.00 | 4544348.75 | 1255887.50 | 1793447.00 | 1792800.75 | 6533352.50 | 2899621.00 | 2584363.00 | 5717784.00 | 1715109.00 | 8839854.00 | 6843438.60 | 1401158.00 | 1636991.80 | 579911.00 | 1469089.00 | 1166349.00 | 4292572.67 | 2004041.00 | 1593283.67 | 1964487.00 | 5438450.00 | 2306714.50 | 5352972.00 | 1922731.00 | 913208.00 | 1143893.50 | 3623114.67 | 1892666.00 | 2349180.00 | 4842602.00 | 2140927.00 | 1533976.00 | ||
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)+ | - | - | - | 6090.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+ | - | - | - | - | - | - | - | 7490.00 | - | - | - | - | - | 5396.00 | - | - | - | - | - | 21516.00 | 6347.00 | 7490.00 | - | - | 18135.00 | - | - | - | - | - | - | 24583.00 | - | - | - | 11574.00 | 5403.50 | - | - | - | 5879.00 | - | - | - | - | 11894.00 | ||
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ | - | - | - | 8691.00 | 15453.00 | 64087.00 | - | - | - | 2611.00 | 19119.00 | - | 17639.00 | - | 17542.00 | 4908.00 | 5456.00 | 14309.00 | - | 19517.00 | 11108.00 | - | - | - | 46008.50 | - | 9653.00 | - | 9149.00 | 6167.00 | 11443.00 | 77978.00 | - | 42480.00 | 21247.00 | - | 15375.50 | 126720.00 | 12581.00 | 8386.00 | 15010.50 | - | 8955.00 | 16476.00 | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ | - | - | - | 20706.00 | - | 31014.00 | 34018.00 | - | - | - | 27198.00 | - | - | - | - | - | - | - | 25341.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4283.00 | - | - | - | - | - | - | - | - | - | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ | - | - | 60801.00 | - | 38284.50 | 102586.00 | - | 38816.00 | 67675.00 | 47392.00 | 49820.00 | 90544.33 | - | 36271.00 | 47715.00 | - | 38870.00 | 31624.00 | 47363.00 | 59973.00 | - | 54064.67 | - | - | - | 41699.00 | 35090.00 | 48405.00 | - | 41003.00 | - | 204374.50 | 55847.50 | 142111.00 | - | - | 44745.00 | 258810.00 | 33119.00 | 44784.00 | 38117.50 | - | - | 39585.00 | - | 55560.00 | ||
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ | - | - | - | - | 7282.00 | - | - | - | - | 2923.00 | - | 4691.00 | - | - | - | 12273.00 | - | 1187.00 | 4780.00 | - | - | - | 2515.00 | - | 6402.00 | 1322.00 | - | - | - | - | - | - | 1127.00 | - | - | - | - | 3830.00 | - | - | - | - | - | - | - | - | ||
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ | 15866.00 | 11894.00 | 6098.00 | 18921.00 | 7995.00 | 14392.67 | - | 19290.00 | 12029.50 | 9359.67 | 9233.50 | 9912.67 | 4151.00 | 4248.00 | 4839.75 | 5354.50 | 12682.00 | 12595.50 | 10929.50 | 8419.50 | 10000.00 | 7406.00 | 4024.00 | 3680.00 | 9997.00 | 17441.00 | 7421.00 | 9581.00 | 7483.00 | 8905.00 | 8536.33 | 23245.33 | 8850.67 | 13660.33 | 3082.00 | 6642.50 | 7702.67 | 26868.00 | 8346.50 | 4509.00 | 9972.67 | 6781.00 | 23410.00 | 9717.00 | 8738.00 | 17819.50 | ||
1-METHYLNICOTINAMIDE (CAS# ); M+ | - | - | - | - | - | 3798.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+ | - | - | 9617.00 | 12597.00 | 4944.00 | 15839.00 | - | - | 11846.00 | - | - | - | 3053.00 | - | 9584.00 | 4027.50 | - | 12335.00 | - | 4142.00 | 12913.00 | - | - | - | 12103.50 | - | - | - | - | - | 14275.00 | 6595.00 | 13427.50 | - | - | 4254.00 | - | - | - | - | 19541.00 | - | 14593.00 | 10702.00 | - | - | ||
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+ | 786672.00 | 1078837.00 | 701924.33 | 1075851.00 | 672785.33 | 966156.33 | 883498.00 | 904676.00 | 796281.00 | 869947.67 | 765587.00 | 808709.00 | 1178463.00 | 603720.00 | 610232.67 | 601006.50 | 993005.00 | 615670.50 | 892217.00 | 950523.50 | 558414.00 | 814137.33 | 866700.00 | 34357.00 | 1004850.60 | 852951.00 | 706569.20 | 530029.00 | 581762.00 | 535721.00 | 1096303.33 | 1041274.00 | 951491.33 | 1023167.33 | 864563.50 | 1264439.00 | 535164.67 | 1101704.00 | 575368.50 | 688531.00 | 840301.00 | 1143054.00 | 637534.00 | 923620.50 | 669243.00 | 788635.50 | ||
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+ | - | 19522.00 | 13184.33 | 15224.00 | 6967.00 | 8883.33 | - | - | 2202.00 | 15844.33 | 12670.50 | 15032.67 | 23614.00 | 9482.00 | 10276.00 | 9920.00 | 17385.00 | 10361.00 | 14323.50 | 11858.50 | 7586.67 | 16978.50 | 15440.00 | 12305.00 | 17275.00 | 14080.00 | 12180.40 | 8578.00 | 11273.00 | 8345.00 | 19534.00 | 20113.00 | 17677.33 | 11422.50 | 15530.50 | 21346.00 | 8069.67 | 19321.00 | 8423.50 | 10962.00 | 16972.00 | 21899.00 | 10396.00 | 15855.50 | 13816.00 | 12938.00 | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+ | - | - | - | 3855.00 | - | - | - | - | - | - | - | - | 3726.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 1893.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] | - | - | - | - | - | - | 2384.00 | - | - | - | - | - | 10474.00 | - | - | - | - | - | - | - | 3199.00 | - | - | - | - | - | - | - | - | - | 1383.00 | - | - | - | - | 1527.00 | - | - | - | - | - | - | - | - | - | - | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ | 187675.00 | 254817.00 | 276743.67 | 735762.00 | 296225.33 | 503083.33 | 1178582.00 | 467127.00 | 462681.00 | 317790.00 | 411445.00 | 206127.00 | 1032272.00 | 456091.00 | 199028.50 | 252522.00 | 341786.50 | 193752.75 | 277523.00 | 250523.00 | 673488.67 | 236966.67 | 337464.00 | 242331.00 | 233812.25 | 278623.00 | 292048.00 | 176149.00 | 212630.00 | 281938.00 | 314170.67 | 569696.33 | 382331.00 | 571311.33 | 147544.00 | 474359.00 | 301389.00 | 30372.00 | 133321.50 | 544434.50 | 246195.67 | 319130.00 | 330256.00 | 286548.00 | 320339.00 | 310013.50 | ||
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ | - | - | - | - | - | - | - | - | - | 4308.00 | - | - | - | - | - | 5543.00 | - | - | - | - | 10179.00 | - | - | - | - | - | - | - | - | - | - | - | 2244.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ | - | 32843.00 | 11274.00 | 28363.50 | 38125.00 | 38863.33 | 14742.00 | 31466.00 | 29493.00 | 25689.00 | 41119.00 | 38978.00 | 57592.00 | 41638.00 | 23937.50 | 40060.00 | 26240.00 | 28532.50 | 18291.00 | 31825.00 | 22855.00 | 30301.50 | - | 29130.00 | 67187.00 | 32363.00 | 34203.67 | - | 38651.00 | 27347.00 | 18152.00 | 20620.67 | 24154.50 | 34783.50 | 23695.00 | 58107.00 | 35894.00 | 44412.00 | 9591.00 | 39267.00 | 33672.00 | 25350.00 | 43603.00 | 24062.00 | 40604.00 | 13576.00 | ||
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+ | - | - | - | - | - | 226975.00 | 213767.00 | - | 40206.00 | - | - | - | - | - | 33596.00 | - | 140840.00 | - | - | - | 411796.00 | - | - | - | 147029.00 | - | 35361.00 | - | - | - | - | - | - | - | - | - | - | - | - | 67490.00 | - | - | - | 130511.00 | 133926.00 | - | ||
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ | - | 70574.00 | 1182397.67 | 1286540.00 | 273869.00 | 4774671.33 | 15100000.00 | 3971124.00 | 2225427.00 | 515558.33 | 134119.00 | 95393.50 | 24326.00 | 89702.00 | 658024.00 | 13144.00 | 3462337.00 | 150833.50 | 2025937.50 | 2333408.00 | 7276420.33 | 1214322.67 | 57529.00 | 90269.00 | 1987940.00 | 346498.00 | 832956.60 | - | 2385332.00 | - | 218268.00 | 240844.00 | 1005026.67 | 1392681.00 | 819384.00 | 1184882.50 | 987576.00 | 155299.00 | 206412.00 | 1720032.00 | 166559.33 | 6388.00 | - | 2799184.50 | 5699562.00 | 434638.00 | ||
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | 1466.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1104.00 | - | - | - | - | - | - | ||
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+ | 6614.00 | 2051.00 | 3520.50 | - | - | 8457.00 | 13433.00 | 11227.00 | 3939.00 | 11818.00 | - | - | - | - | - | - | 1272.00 | 6148.00 | 3156.00 | - | - | - | 9079.00 | - | 9627.00 | - | 3216.00 | - | - | - | 3536.00 | - | - | 3144.00 | - | - | - | - | - | - | 3632.00 | - | - | - | - | - | ||
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ | 33189.00 | 62966.00 | 42985.67 | 40684.67 | 25297.50 | 34880.33 | 14436.00 | 16819.00 | 43377.50 | 42348.67 | 47648.50 | 35839.00 | 49114.00 | 31681.00 | 45199.00 | 28106.00 | 51960.00 | 31666.50 | 25253.50 | 45139.50 | 36411.33 | 37555.33 | 57395.00 | 26478.00 | 52644.80 | 29119.00 | 43788.80 | 20751.00 | 48041.00 | 38512.00 | 48068.67 | 50570.33 | 47120.67 | 50560.33 | 65668.50 | 70826.50 | 37660.33 | 46054.00 | 36456.00 | 46554.00 | 40290.00 | 34313.00 | 72209.00 | 47488.00 | 63472.00 | 44402.50 | ||
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ | - | - | - | 2349.00 | - | - | - | - | - | - | - | 4540.50 | 20459.00 | - | - | 1383.00 | - | - | 1065.00 | - | - | - | - | - | 14368.00 | - | 2140.00 | - | - | - | - | - | - | 3068.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471-10-2); (M... | - | - | - | - | - | 34775.00 | - | - | - | - | - | - | - | - | - | - | 13670.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 14763.00 | - | - | - | - | - | ||
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ | - | 3928.00 | 8698.00 | 11839.50 | 6396.50 | 9537.00 | - | - | 4067.00 | 6843.33 | 5125.00 | 5283.00 | 8746.00 | - | 4765.00 | 4706.50 | 11124.00 | 4964.00 | - | 6143.00 | 8244.00 | 22056.00 | - | 9343.00 | 7570.00 | - | 13970.50 | 5423.00 | - | - | 13219.00 | - | 4633.00 | 8223.50 | 24384.00 | 11925.00 | - | 11361.00 | 8766.00 | 8645.00 | 16721.00 | 13399.00 | - | - | 1929.00 | - | ||
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H2O] | 2077.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 1480.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1329.00 | - | 3664.00 | - | - | - | - | - | - | - | 4541.00 | 2488.00 | - | 1956.00 | ||
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ | - | 9443.00 | 10688.00 | 10849.00 | 3806.00 | 5527.67 | 6171.00 | 9487.00 | 7705.00 | 7029.50 | 9570.00 | 7014.00 | 8078.00 | 4178.00 | 6595.25 | - | 9779.00 | 6080.00 | 11561.00 | 9222.50 | 9717.50 | 8410.00 | 3503.00 | 22951.00 | 13303.00 | - | 11897.25 | - | 4131.00 | - | 6990.67 | - | 14533.50 | 9594.67 | 11028.50 | 12731.00 | 10710.00 | 10625.00 | 3962.00 | - | 12703.00 | 9610.00 | - | 5520.50 | - | 6636.50 | ||
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+ | - | 11085.00 | 12995.00 | - | 9025.00 | 6266.00 | - | - | - | - | 14583.00 | 4661.00 | 9114.00 | - | 8484.33 | 7809.00 | - | 8581.00 | - | - | - | 13583.00 | 11813.00 | 14795.00 | 18048.00 | 8469.00 | 11440.33 | 7987.00 | - | - | 7849.50 | 5793.00 | 12812.00 | 5190.00 | - | - | - | - | - | - | 8795.00 | - | 7827.00 | - | - | - | ||
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] | 62061.00 | - | 104131.50 | 63489.67 | 48383.33 | 22900.33 | 22877.00 | - | 34276.00 | 54950.33 | 71565.00 | 54009.00 | 48026.00 | 47318.00 | 69240.33 | 64957.50 | 60010.00 | 35799.33 | 60182.50 | 35253.00 | 63798.33 | 21182.50 | 71023.00 | 85563.00 | 66554.00 | 69202.00 | 44630.25 | 38797.00 | - | - | 73331.67 | 62617.00 | 39110.67 | 31688.00 | 81318.50 | 42081.50 | 41387.00 | 43002.00 | 24445.00 | 50527.00 | 61915.00 | 53405.00 | 56313.00 | 112507.00 | 38161.00 | 34870.00 | ||
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ | - | - | - | - | - | 5034.00 | - | - | - | - | - | - | - | 4033.00 | - | - | 1147.00 | - | - | - | - | - | - | - | 6401.00 | 3317.00 | - | - | - | - | 5701.00 | - | 5272.00 | - | - | - | 1803.00 | 6643.00 | - | - | 5966.00 | - | - | - | - | - | ||
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ | 1428.00 | - | 2272.67 | 2722.00 | 2679.50 | 3318.33 | 3184.00 | 2089.00 | - | - | - | 3239.50 | 5998.00 | - | 1569.33 | - | 1852.00 | - | - | 2539.00 | - | 1426.50 | - | 1627.00 | - | - | - | - | - | - | 3144.50 | 1632.00 | 4315.50 | - | 2492.00 | 1618.00 | - | - | 1659.00 | 4153.00 | 2432.00 | - | - | 2018.00 | - | - | ||
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 175174.00 | - | - | - | 256395.00 | - | - | - | - | - | ||
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] | - | 7236.00 | - | 2731.00 | - | 3716.00 | 3975.00 | 5884.00 | - | - | - | - | - | - | 3144.00 | 2163.00 | - | - | - | - | - | - | 2605.00 | - | 2762.33 | - | 1792.00 | - | - | - | 4382.00 | 2475.50 | 6856.00 | - | 4131.00 | - | 1534.00 | - | - | - | - | 4757.00 | - | - | - | - | ||
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | 1032.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); M+[-HSO4... | - | 2431.00 | 1962.00 | 17232.00 | 1990.00 | 7558.50 | - | - | - | 2540.00 | 4864.00 | 7002.50 | 6026.00 | 3892.00 | 5088.00 | 5888.00 | - | 3871.00 | - | 5668.00 | 8328.00 | 15017.50 | - | 1899.00 | 6576.00 | - | 6044.50 | - | - | - | 12125.00 | 5597.00 | 6638.00 | 2864.00 | 2841.00 | 7228.00 | 2020.00 | 4600.00 | - | 4445.00 | - | 7385.00 | - | - | - | - | ||
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1103.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
3^-CMP (CAS# 63-37-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1182.00 | - | - | - | - | - | - | - | - | - | - | 1648.00 | - | - | - | 1012.00 | - | - | - | - | - | - | - | - | - | - | ||
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ | - | - | - | - | - | 20685.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 78562.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 84697.00 | - | - | - | - | - | - | - | ||
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ | - | - | - | 4551.00 | 8058.00 | - | - | - | - | 8209.00 | - | 9687.00 | - | - | - | - | - | - | 21971.00 | - | - | - | - | - | - | - | 6138.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | 5522.00 | - | 4976.50 | - | - | - | - | - | - | 11612.00 | - | - | - | - | - | - | - | 3581.00 | - | - | - | - | 2453.00 | - | - | - | - | - | 7784.00 | - | - | - | - | - | - | - | 2172.00 | ||
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ | - | - | 3313.00 | - | - | 2606.00 | - | - | - | 1902.00 | 2716.00 | - | 3261.00 | - | - | - | - | - | - | - | 3517.00 | - | - | 10387.00 | - | - | 1391.00 | - | - | - | - | 2537.00 | - | 3922.00 | - | - | - | - | - | - | 1280.00 | - | - | - | - | - | ||
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+ | 6609.00 | - | - | 10332.00 | - | - | - | - | - | 6356.00 | - | 1368.00 | - | - | 5613.00 | - | - | 3842.00 | - | - | - | - | - | - | 5167.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1049.00 | - | - | ||
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] | 10009.00 | 24907.00 | 11064.67 | 6290.50 | 7366.00 | 7066.50 | 7530.00 | - | 7162.50 | 46916.67 | 5491.00 | 12211.67 | 5242.00 | 12413.00 | 9804.25 | 27371.00 | 19829.00 | 24945.25 | 12030.00 | 31737.00 | 10850.33 | 9531.00 | 70997.00 | 4227.00 | 31137.20 | 9439.00 | 9521.00 | 7695.00 | - | - | 21459.00 | 21750.67 | 40721.50 | 10806.50 | 7147.50 | 9772.50 | 6866.33 | 59988.00 | 6050.00 | 6118.50 | 28175.00 | 10329.00 | 14633.00 | 7029.00 | 8043.00 | 47253.00 | ||
(+)-3-HYDROXYMORPHINAN (CAS# 15676-23-0); (M+H)+ | - | - | - | - | 9761.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+ | - | - | - | - | - | - | - | - | - | 1626.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ | - | 25767.00 | - | 9456.50 | 7355.50 | 9785.67 | 18332.00 | 23288.00 | 11867.00 | 9838.67 | 10899.00 | 14307.50 | 14138.00 | - | 10362.67 | 7124.00 | - | 9703.00 | 6223.00 | 9694.00 | 8164.00 | 10094.00 | 10521.00 | 24311.00 | 12251.33 | - | 10894.67 | 13668.00 | 11930.00 | - | 14966.50 | 16016.00 | 31702.00 | 13681.50 | - | 17992.00 | 8555.00 | 17462.00 | 10726.00 | 9892.00 | 10725.00 | 12903.00 | 9658.00 | 8264.00 | - | 14075.00 | ||
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O] | 2077.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3673.00 | - | - | - | - | - | - | - | 4474.00 | 2500.00 | - | 1809.00 | ||
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ | - | 9443.00 | 10688.00 | 10849.00 | 3806.00 | 5682.67 | 6171.00 | 9487.00 | 7705.00 | 7029.50 | 9570.00 | 7014.00 | 8078.00 | 5045.00 | 6595.25 | - | 9779.00 | 6080.00 | 11561.00 | 9222.50 | 10124.00 | 8410.00 | 3503.00 | 22951.00 | 13303.00 | - | 12131.75 | - | 4131.00 | - | 7365.33 | - | 14533.50 | 9594.67 | 11028.50 | 12731.00 | 10710.00 | 10625.00 | 3962.00 | - | 12703.00 | 9610.00 | - | 6218.00 | - | 6636.50 | ||
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ | - | - | - | 1174.00 | - | 1927.00 | - | - | - | - | - | - | 1209.00 | - | - | - | - | - | - | - | - | 1355.00 | - | - | - | - | - | - | - | - | - | - | - | 1323.00 | - | 1855.00 | - | - | - | - | - | - | - | - | - | - | ||
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+ | 1291.00 | - | - | - | - | - | - | - | 2809.00 | 1246.00 | - | 1698.00 | - | - | - | - | - | 1185.00 | - | - | - | - | - | - | 2754.00 | 1980.00 | - | 1606.00 | - | 1725.00 | 2202.00 | 1457.00 | 1231.00 | - | - | - | - | - | 1076.00 | - | - | - | 1238.00 | 2110.00 | - | 2394.00 | ||
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | 2060.00 | 2048.00 | - | - | 1135.00 | 1626.50 | 1749.00 | - | - | 4285.00 | 1295.00 | - | - | - | 2298.00 | - | 1915.00 | - | - | - | 7689.00 | - | 3803.50 | - | 2792.00 | - | 2559.00 | 3840.00 | - | - | 1719.00 | - | - | - | - | 1062.00 | ||
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ | - | - | - | - | - | - | 2724.00 | - | - | 4642.00 | - | - | - | - | - | - | - | 4838.00 | - | 5571.00 | - | - | - | - | - | - | 5141.00 | - | 1686.00 | - | - | 7501.00 | 1450.00 | 3111.00 | - | - | - | 5247.00 | 4486.00 | - | - | - | - | - | - | - | ||
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 1385.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+ | - | - | - | - | - | - | - | - | 2384.00 | 9397.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 8910.00 | - | - | - | - | - | 3545.00 | - | - | - | - | - | - | 11142.00 | - | - | - | - | - | - | - | - | ||
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ | 32646.00 | 68773.00 | 26925.33 | 25906.00 | 18234.67 | 33685.33 | 32729.00 | 59013.00 | 16799.00 | 31021.00 | 28815.00 | 32126.50 | 19555.00 | 7286.00 | 18251.00 | 20722.50 | 20253.00 | 19221.00 | 24014.00 | 22418.00 | 20851.00 | 25668.00 | 34299.00 | 33169.00 | 37823.00 | 13083.00 | 22493.67 | 16480.00 | 16486.00 | 9178.00 | 33145.33 | 23648.67 | 33823.00 | 25517.33 | 35502.50 | 27663.00 | 19898.67 | 76101.00 | 18281.00 | 21502.50 | 20787.33 | - | 14302.00 | 31383.00 | 13914.00 | 17082.00 | ||
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+H)+ | - | 29821.00 | 123235.00 | 23425.00 | 26344.00 | 72470.00 | 11357.00 | 21263.00 | - | - | - | - | - | - | 21420.00 | - | - | - | - | 7601.00 | - | - | - | - | - | - | 22678.50 | - | - | - | 37111.00 | - | 31635.00 | - | - | - | 2235.00 | - | - | - | 31528.00 | - | - | - | - | - | ||
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+ | - | 12649.00 | 38897.00 | 7333.00 | 10338.00 | 20313.00 | 3170.00 | 8342.00 | - | - | - | - | - | - | 8360.00 | - | - | - | - | 1135.00 | - | - | - | - | - | - | 8846.50 | - | - | - | 13465.00 | - | 12412.00 | - | - | - | - | - | - | - | 9995.00 | - | - | - | - | - | ||
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 26189.00 | - | 23345.00 | - | - | - | 68025.00 | - | - | - | 125621.00 | - | - | - | - | - | ||
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 4... | 4813.00 | - | 4349.50 | 9172.00 | 4286.00 | 5187.50 | 17475.00 | 17244.00 | 5861.00 | 7645.00 | 4099.00 | 8834.00 | 6773.00 | 3426.00 | 4957.33 | 5423.50 | 6148.00 | 7002.75 | 7656.00 | 9743.50 | 5523.00 | 8456.50 | 3762.00 | 8022.00 | 12410.00 | - | 5117.20 | 3288.00 | 4720.00 | 3547.00 | 10816.00 | 6195.00 | 11500.00 | 9778.00 | 13067.00 | 11171.00 | 5660.00 | 6365.00 | 5945.00 | 3245.00 | 4843.00 | 11379.00 | 5638.00 | 5342.00 | - | 8395.00 | ||
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H... | 19921.00 | - | 47577.50 | 34364.00 | - | 70388.00 | 26011.00 | 47764.00 | 25036.00 | 44815.00 | 25865.00 | 15263.00 | - | - | 43449.00 | 39295.00 | 32928.50 | 23050.00 | 52853.00 | 26216.00 | 38614.00 | 19252.00 | - | - | 61137.00 | - | 31846.00 | - | 32861.00 | - | 38216.00 | - | 17668.00 | 42918.00 | - | 39102.00 | 39427.00 | - | - | 31292.00 | 26971.00 | - | - | 66061.00 | - | 41620.00 | ||
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12100.50 | - | - | - | - | - | - | - | - | - | 11075.33 | - | 9362.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 8945.00 | 7881.00 | - | - | - | - | ||
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+ | - | - | - | - | - | - | - | 1201.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+ | - | - | - | 1144.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2483.00 | - | - | - | - | - | - | - | - | - | - | 2078.00 | - | - | - | - | - | - | - | - | - | - | ||
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+ | - | - | - | - | - | - | - | - | 4408.00 | 2022.00 | - | - | - | - | - | - | - | 2157.00 | - | - | - | 3465.00 | - | 5204.00 | 3174.50 | - | 2158.00 | - | 3032.00 | - | 3156.00 | 1413.00 | - | - | - | - | - | 1220.00 | - | - | - | - | 1698.00 | 4824.00 | - | - | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ | - | - | - | 2402.00 | - | - | - | - | - | 107082.00 | - | - | - | - | - | 48741.00 | - | - | 24930.00 | - | - | - | - | - | 128678.00 | - | - | - | - | - | - | 21168.00 | - | - | - | - | - | - | 74086.00 | - | - | - | - | - | - | - | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O] | - | - | - | - | 2925.00 | 4855.00 | 2724.00 | - | - | 14570.00 | - | 1518.00 | - | - | - | - | - | 1665.00 | 4318.00 | - | - | - | - | - | 28009.00 | - | 8927.75 | - | - | - | - | - | - | - | 7353.00 | - | - | 9920.00 | 2099.00 | - | - | 6300.00 | - | - | - | - | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ | 13943.00 | - | 2232.00 | - | 5522.50 | 3160.00 | 4296.00 | - | - | 21938.00 | - | 1071.00 | - | - | - | 8808.50 | - | - | 12990.50 | 7257.00 | 6995.00 | 4935.00 | - | - | 4100.00 | - | 3915.00 | 10051.00 | - | - | - | 14471.00 | 4219.00 | - | 18452.00 | - | 3297.00 | 16732.00 | 1585.00 | - | - | - | - | 14296.00 | 3985.00 | 6489.00 | ||
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ | 2858.00 | - | 4917.50 | 4527.50 | 2553.50 | 3954.50 | - | - | 3261.00 | 3417.00 | 2833.00 | 4912.00 | - | - | 1896.67 | 2236.00 | 1686.00 | 1761.33 | 2610.50 | 2554.00 | - | 4093.00 | 3948.00 | - | 5596.00 | - | 3224.00 | - | 2490.00 | - | 3476.00 | 2246.00 | 3098.00 | 3527.50 | 3473.00 | 4183.00 | - | 4018.00 | 3447.00 | - | 1801.00 | 5797.00 | - | 3116.50 | 2481.00 | - | ||
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] | 324883.00 | 430486.00 | 401819.33 | 384731.00 | 291153.33 | 409916.00 | 321932.00 | 401061.00 | 316131.50 | 365276.67 | 423036.00 | 379234.67 | 654574.00 | 374076.00 | 350547.25 | 348756.00 | 539113.50 | 269572.25 | 308132.00 | 353435.00 | 301500.67 | 386970.33 | 345491.00 | 535484.00 | 436713.20 | 217119.00 | 372480.00 | 248121.00 | 271679.00 | 159068.00 | 393522.67 | 320569.67 | 381267.00 | 380088.33 | 425908.00 | 459834.00 | 278665.00 | 236569.00 | 297369.50 | 400534.50 | 298074.67 | 573064.00 | 290269.00 | 459646.50 | 423911.00 | 283058.00 | ||
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12100.50 | - | - | - | - | - | - | - | - | - | 11075.33 | - | 9362.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 8945.00 | 7881.00 | - | - | - | - | ||
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+ | - | - | - | 4655.00 | - | 15319.00 | - | - | - | - | - | 10628.00 | - | - | - | - | - | 8821.00 | - | - | - | - | - | 13921.00 | 5497.50 | - | 5148.00 | - | - | - | 3917.00 | - | - | - | - | - | - | - | - | - | 1962.00 | - | - | 1731.00 | - | - | ||
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ | 2132278.00 | 461723.00 | 1748489.00 | 596472.33 | 919121.00 | 1763942.67 | 30939.00 | 1577639.00 | 1133631.50 | 1636310.33 | 2733998.50 | 1911248.00 | 2394531.00 | 535019.00 | 946970.25 | 1835017.00 | 1766886.00 | 607726.50 | 39008.50 | 1117971.50 | 1351260.33 | 2067083.67 | 240053.00 | 3451283.00 | 1871510.40 | 574839.00 | 1654193.80 | 2368869.00 | 30674.00 | 363374.00 | 1414681.33 | 1699755.67 | 769726.00 | 1797679.67 | 947659.00 | 3426993.00 | 1258882.67 | 253244.00 | 285410.50 | 1183911.50 | 1021649.00 | 3044264.00 | 410435.00 | 2189387.50 | 15448.00 | 1852908.00 | ||
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+ | - | 9897.00 | - | - | - | - | - | - | - | - | - | - | - | - | 1100.00 | - | - | - | - | - | - | - | - | 1852.00 | 2685.00 | - | 1930.00 | - | - | - | - | 1494.00 | - | - | - | - | 2507.00 | - | - | - | - | - | - | - | - | - | ||
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+ | - | 6877.00 | - | - | - | 2277.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1393.00 | - | - | - | - | - | - | - | - | - | - | - | 2510.00 | 1270.00 | - | ||
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+H)+ | - | 1187453.00 | 96986.00 | - | - | 1358.00 | - | - | - | 4013.00 | 9323.00 | - | - | - | - | 1010909.00 | - | - | 13382.00 | - | - | - | 2978.00 | - | - | - | - | - | - | - | - | 6634.00 | - | 497177.00 | - | - | 521440.00 | - | - | - | 942066.00 | - | - | - | - | - | ||
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+ | - | 809136.00 | 65047.00 | - | - | - | - | - | - | - | 7216.00 | - | - | - | - | 790213.00 | - | - | 12895.00 | - | - | - | 1433.00 | - | - | - | - | - | - | - | - | 6684.00 | - | 510543.00 | - | - | 490823.00 | - | - | - | 632057.00 | - | - | - | - | - | ||
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ | 15278.00 | 17203.00 | - | 19353.00 | - | 21115.00 | 31093.00 | 29305.00 | 15321.00 | 10259.00 | - | 21392.00 | - | - | - | 11183.00 | 15875.00 | 10759.00 | 18132.00 | 11870.00 | - | - | - | 15827.00 | - | - | 9470.00 | - | - | - | 16111.00 | 21369.00 | 14040.00 | - | 17831.00 | - | - | - | 24109.00 | - | - | - | - | - | - | 21573.00 | ||
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+ | - | 1496.00 | 2922.33 | - | 1870.50 | 3327.00 | - | - | 2888.00 | 1128.00 | 1388.00 | - | - | - | 2185.00 | - | 1303.00 | 1746.00 | - | 2684.00 | 2906.00 | 2941.00 | - | - | 3066.25 | - | - | - | 1138.00 | - | 3896.00 | 1485.00 | - | 3020.00 | 2249.00 | 1837.50 | 2413.00 | - | - | 1139.00 | 3313.00 | - | - | 3371.00 | - | 2982.00 | ||
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ | 5665.00 | 7698.00 | 7598.33 | 7190.33 | 6607.00 | 6800.33 | 10216.00 | 11396.00 | 7288.50 | 5915.33 | 5239.00 | 5892.00 | 4648.00 | 3851.00 | 3673.50 | 4424.00 | 5872.00 | 5326.00 | 6293.00 | 7090.50 | 6872.33 | 5825.67 | 3425.00 | 5538.00 | 7058.20 | 5273.00 | 3926.60 | 4640.00 | 6453.00 | 6338.00 | 5897.33 | 6165.33 | 5731.00 | 5297.00 | 4859.50 | 5973.50 | 4992.00 | 8476.00 | 4442.00 | 5121.00 | 5950.00 | 4979.00 | 5442.00 | 6420.50 | 3421.00 | 7575.00 | ||
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ | 1409.00 | 1432.00 | 1656.00 | 1805.50 | 1789.00 | 1797.00 | 1884.00 | 2840.00 | 1819.00 | 1383.00 | 1377.00 | - | - | - | - | - | 1423.00 | 1438.00 | 1604.00 | 1574.00 | 2063.00 | 1364.00 | - | 1135.00 | 2019.00 | - | - | 1684.00 | 1527.00 | - | 1481.00 | - | 1375.00 | 1084.00 | 1337.00 | - | 2043.00 | 1714.00 | 1340.00 | - | - | - | - | 1781.00 | - | 1148.00 | ||
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ | 286146.00 | 200818.00 | 255511.00 | 333842.67 | 214268.00 | 159981.00 | 132551.00 | 236017.00 | 191526.00 | 219951.00 | 189426.00 | 191736.00 | 293722.00 | 181239.00 | 249526.50 | 225412.50 | 147747.00 | 195603.50 | 386913.50 | 171758.00 | 313482.50 | 182944.00 | 250767.00 | 243994.00 | 291797.80 | 319594.00 | 273345.80 | 16987.00 | 147415.00 | 179243.00 | 278565.67 | 201192.00 | 209041.00 | 326894.00 | 250573.00 | 434180.00 | 172277.33 | 315107.00 | 176115.50 | 272692.50 | 259210.67 | 357792.00 | 128239.00 | 252700.00 | 183620.00 | 193532.00 | ||
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ | - | - | - | 53072.00 | 29767.50 | 45720.00 | 14635.00 | - | 40562.00 | 51383.50 | 42245.00 | - | - | 32919.00 | 56064.00 | 36003.00 | 31781.00 | - | 75475.00 | 46962.00 | - | 37668.00 | 51447.00 | 26933.00 | 62569.00 | - | - | - | - | 15402.00 | 70204.00 | 42069.00 | 48212.50 | - | - | - | 15984.00 | - | 15980.00 | 37191.00 | 39927.00 | 74026.00 | - | 37072.00 | - | 43189.00 | ||
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+ | - | 3273.00 | 2391.00 | - | - | 2159.00 | - | - | - | - | - | 1258.00 | - | - | - | - | - | - | - | - | 1834.00 | 3185.00 | 1112.00 | - | 2068.00 | - | - | - | - | - | - | - | - | - | - | - | - | 2072.00 | - | - | 1996.00 | - | 1833.00 | 3372.00 | - | - | ||
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ | - | - | - | - | - | - | - | - | 1790.00 | - | 2060.00 | 2048.00 | - | - | 1135.00 | 1626.50 | 1749.00 | - | - | 3256.00 | 1295.00 | - | - | - | 2298.00 | - | 1915.00 | - | - | - | 7689.00 | - | 3803.50 | - | 2792.00 | - | 2559.00 | 2959.00 | - | - | 1396.00 | - | - | - | - | 1062.00 | ||
ABRINE (CAS# 526-31-8); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 2531.00 | - | - | 1548.00 | - | - | - | - | - | - | - | - | - | 4518.00 | - | - | - | - | - | - | - | - | - | - | - | 1258.00 | - | - | - | - | - | - | - | - | - | ||
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+ | - | 211476.00 | 610973.33 | 100890.50 | 218747.50 | 510154.00 | 34661.00 | 47914.00 | - | - | - | 8088.00 | - | - | 336449.00 | - | - | - | - | 174564.00 | - | - | - | - | 13412.67 | - | 809114.50 | - | - | - | 416825.00 | - | 365117.00 | 11061.00 | - | - | 58043.50 | - | - | - | 321910.50 | - | - | - | - | - | ||
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ | 2871.00 | 181107.00 | 510926.33 | 61568.67 | 143771.33 | 154760.00 | 30001.00 | 41628.00 | 3049.50 | - | 5276.00 | 4733.50 | - | - | 106326.67 | - | 3924.00 | 3165.75 | 2625.00 | 85869.00 | 3245.50 | 3189.00 | - | - | 14067.50 | - | 494671.33 | 4805.00 | - | 3150.00 | 135238.33 | 2387.50 | 123474.67 | 6058.33 | 1851.00 | 2804.50 | 48471.00 | - | 4873.00 | 2008.50 | 290764.00 | - | - | 3504.50 | - | 7483.50 | ||
ACETOACETATE (CAS# 541-50-4); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2901.00 | 2443.00 | - | - | 5943.00 | - | 5769.00 | - | 1563.00 | 3653.50 | 3081.00 | 1655.00 | - | 3970.00 | 1544.00 | - | - | - | - | 1727.00 | - | - | 2645.00 | 2709.50 | - | - | - | - | - | ||
ADENOSINE (CAS# 58-61-7); (M+H)+ | - | - | - | 2349.00 | - | - | - | - | - | - | - | 4540.50 | 20459.00 | - | - | 1383.00 | - | - | 1065.00 | - | - | - | - | - | 14368.00 | - | 1476.50 | - | - | - | - | - | - | 3068.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ | - | 9443.00 | 10688.00 | 10849.00 | 3806.00 | 5682.67 | 4962.00 | 9487.00 | 7705.00 | 7029.50 | 9010.50 | 6814.33 | 8078.00 | 4271.00 | 6322.50 | - | 9779.00 | 4755.00 | 11561.00 | 9222.50 | 9721.00 | 8410.00 | 3503.00 | 22951.00 | 12879.00 | - | 11849.00 | - | 4131.00 | - | 6990.67 | - | 14533.50 | 9220.33 | 11028.50 | 12731.00 | 10710.00 | 10625.00 | 3962.00 | - | 12703.00 | 9610.00 | - | 5868.50 | - | 6303.00 | ||
AHBA (CAS# 76045-71-1); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 175174.00 | - | - | - | 256395.00 | - | - | - | - | - | ||
ALANINE (CAS# 56-41-7); (M+H)+ | - | 6885.00 | - | 7743.00 | - | 7662.00 | 7625.00 | 8211.00 | - | 1949.00 | 7275.00 | 3614.00 | - | - | 3844.00 | - | 8358.00 | 4108.00 | - | 5723.00 | 5728.50 | - | - | 3769.00 | 7336.50 | - | 3885.00 | - | - | - | 7756.50 | 3708.00 | 8429.00 | 4047.00 | 2305.00 | - | 2039.00 | - | - | 5905.00 | 3310.00 | 2660.00 | 4800.00 | 3997.00 | - | 5913.00 | ||
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] | - | - | - | 4551.00 | 8058.00 | - | - | - | - | 8209.00 | - | 9687.00 | - | - | - | - | - | - | 21971.00 | - | - | - | - | - | - | - | 6138.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O] | - | - | 3313.00 | - | - | 2606.00 | - | - | - | 1902.00 | 2716.00 | - | 3261.00 | - | - | - | - | - | - | - | 3517.00 | - | - | 10387.00 | - | - | 1391.00 | - | - | - | - | 2537.00 | - | 3922.00 | - | - | - | - | - | - | 1280.00 | - | - | - | - | - | ||
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ | - | - | 89154.50 | 250882.50 | 56748.33 | 149829.00 | 367746.00 | - | 42891.00 | 63573.00 | 54171.50 | 76524.50 | 65870.00 | 105722.00 | 127200.00 | 67282.00 | 400699.00 | 335992.50 | 76623.00 | 55346.00 | 102394.00 | 10067.00 | 69908.00 | - | 69702.50 | 336981.00 | 208018.00 | 56242.00 | 106535.00 | 259790.00 | 28431.00 | 435348.00 | 79087.50 | 85434.00 | 49372.00 | 10645.00 | 110953.00 | 23234.00 | 10684.00 | 54170.50 | 217270.50 | - | - | 61862.50 | - | 473308.00 | ||
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+ | 18673.00 | 21795.00 | 23289.33 | 19863.67 | 18094.00 | 17492.33 | 11659.00 | 20560.00 | 15953.00 | 19131.67 | 26508.50 | 17565.00 | 24232.00 | 15251.00 | 16459.00 | 20103.00 | 24916.00 | 14344.00 | 18462.50 | 20054.50 | 15591.67 | 18192.67 | 17635.00 | 16808.00 | 24255.20 | 5547.00 | 18273.20 | 14122.00 | 10566.00 | 8432.00 | 18366.00 | 15805.67 | 17112.67 | 16360.67 | 23627.50 | 19678.50 | 25221.00 | 16768.00 | 16441.00 | 15021.50 | 13970.00 | 32543.00 | 10160.00 | 21546.00 | 11859.00 | 13034.00 | ||
ANDROSTERONE (CAS# 53-41-8); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | 1068.00 | - | - | - | 1472.00 | 1259.00 | - | 1141.00 | - | 1004.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1289.00 | - | - | - | - | 1130.00 | - | - | - | - | - | ||
ARABINOSE (CAS# 147-81-9); (M+NA)+ | - | - | 26789.00 | 8090.00 | 2148.00 | 1933.00 | - | - | - | 11402.00 | - | - | - | - | - | - | - | 7006.00 | 9166.00 | - | 4827.00 | 2416.00 | - | 10579.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5965.00 | - | 28922.00 | - | - | - | - | - | ||
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+ | - | 1282.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] | 109727.00 | 518786.00 | 330196.67 | 419584.33 | 188750.67 | 346605.33 | 55959.00 | 237511.00 | 153726.50 | 385585.33 | 387625.50 | 212109.67 | 517601.00 | 349806.00 | 266960.50 | 239613.00 | 99765.00 | 165960.00 | 160510.00 | 294253.50 | 131587.50 | 410347.50 | 374697.00 | 275625.00 | 344295.60 | 148962.00 | 248213.50 | 99573.00 | 92387.00 | 46717.00 | 411256.67 | 258724.00 | 303250.67 | 285411.00 | 407278.50 | 398654.00 | 272540.00 | 237507.00 | 112404.00 | 181314.50 | 247729.00 | 326668.00 | 191758.00 | 474711.00 | 369707.00 | 125130.00 | ||
ASPARAGINE (CAS# 70-47-3); (M+NA)+ | - | - | - | 1621.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O] | - | - | - | 3582.00 | - | - | - | - | - | - | - | - | 1399.00 | - | - | - | - | - | - | 2171.00 | - | - | - | - | 2416.50 | - | - | - | - | - | 3404.00 | - | 1679.00 | - | - | - | 2271.00 | - | - | - | - | - | - | 1111.00 | - | - | ||
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ | - | - | 28482.33 | 45538.67 | 13305.67 | 27308.33 | 27391.00 | 39547.00 | 25190.00 | 20052.67 | 22291.00 | 20399.33 | 28909.00 | 11625.00 | 30578.50 | 16050.50 | 33718.00 | 15432.00 | 8976.00 | 57436.00 | 33037.67 | 28069.33 | 17094.00 | 16585.00 | 46965.33 | 14602.00 | 17497.60 | - | 14095.00 | 9904.00 | 54623.50 | - | 37478.33 | 27494.00 | 17854.50 | - | 36400.67 | 18964.00 | 6706.00 | 21897.00 | 35109.00 | 2639.00 | - | 16602.50 | 21088.00 | 29810.50 | ||
BETA-ALANINE (CAS# 107-95-9); (M+H)+ | - | - | - | 5215.00 | - | - | - | - | 1415.00 | 3177.00 | 3876.00 | - | - | - | - | - | - | - | 6376.00 | 9217.00 | 4383.00 | - | - | - | 1930.00 | - | - | - | - | - | - | - | - | - | 5557.00 | 8660.00 | - | - | 1568.00 | - | - | - | - | - | - | - | ||
BETAINE (CAS# 107-43-7); (M+H)+ | 2126111.00 | 461651.00 | 1225088.33 | 363614.33 | 917291.00 | 1763668.33 | 30939.00 | 1530038.00 | 1133444.50 | 1590477.67 | 2722789.50 | 1905859.67 | 2389863.00 | 527234.00 | 949623.50 | 1831755.00 | 1767046.00 | 606789.75 | 39015.00 | 1097830.00 | 401216.33 | 2064082.33 | 239865.00 | 68334.00 | 1834798.80 | 575143.00 | 1620636.00 | 70042.00 | 30674.00 | 362325.00 | 1412649.67 | 1700077.00 | 1208357.00 | 635811.67 | 942606.50 | 3425507.00 | 499955.33 | 253191.00 | 285652.00 | 1242201.00 | 1020813.00 | 3048698.00 | 331498.00 | 212158.50 | 15448.00 | 1123236.00 | ||
BETAINE (CAS# 107-43-7); (M+NA)+ | 86427.00 | 20196.00 | 24236.33 | 17666.67 | 14434.00 | 16243.33 | 11120.00 | 13812.00 | 12852.00 | 26085.67 | 40529.00 | 14028.00 | 18041.00 | 12147.00 | 18030.00 | 21147.50 | 18324.00 | 13483.75 | 18946.50 | 16734.50 | 17144.33 | 20312.67 | 2307.00 | - | 19191.00 | 12784.00 | 14798.60 | 17585.00 | 1433.00 | 13483.00 | 15826.00 | 14292.33 | 14317.00 | 17114.67 | 20692.50 | 15440.50 | 11522.33 | 92124.00 | 23208.00 | 18026.00 | 16245.67 | 16943.00 | 11656.00 | 17853.50 | 45144.00 | 14156.00 | ||
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 17544.67 | 10454.00 | 12257.67 | 21567.00 | 15658.00 | 10190.00 | 20989.00 | 24219.50 | 6106.33 | 7785.00 | 5186.00 | 5271.25 | 7176.00 | 5870.00 | 10861.67 | 5508.50 | 10730.00 | 21603.33 | 8812.33 | 6484.00 | 5414.00 | 13077.20 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 12591.67 | 28402.33 | 11710.67 | 11626.00 | 4740.00 | 28713.00 | 92591.33 | 11372.00 | 9555.00 | 4488.00 | 19966.67 | 3305.00 | 5690.00 | 7232.00 | 2810.00 | 22188.00 | ||
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O] | - | - | - | - | - | 1779.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
BILIVERDIN (CAS# 114-25-0); (M+H)+ | 19567.00 | 18527.00 | 45778.33 | 68507.67 | 40317.33 | 48698.50 | 18258.00 | 29761.00 | 35610.00 | 46778.33 | 39152.50 | 37308.67 | 25309.00 | 20069.00 | 47744.50 | 30467.00 | 54767.00 | 46990.50 | 34798.00 | 32131.50 | 33093.00 | 44346.33 | 28578.00 | 45516.00 | 40665.40 | - | 39192.60 | 53213.00 | 43695.00 | 16831.00 | 50059.00 | 52124.33 | 41674.50 | 37264.67 | 65022.50 | 110452.00 | 38180.00 | 78933.00 | 36539.00 | 76161.00 | 47815.33 | 61958.00 | 39364.00 | 56841.50 | 33269.00 | 52079.50 | ||
BILIVERDIN (CAS# 114-25-0); (M+NA)+ | 6944.00 | - | 19946.00 | 37859.00 | 17083.33 | 12273.00 | - | - | 17984.00 | 20339.00 | 11717.00 | 16804.50 | - | 8106.00 | 20069.33 | - | 20755.50 | 20883.33 | 14938.50 | 13834.50 | 12803.67 | 18581.00 | - | - | 18137.75 | - | 16320.33 | 20943.00 | 19701.00 | 6959.00 | 20052.00 | 19720.00 | 15753.00 | 14852.00 | 26987.50 | 45433.50 | 16377.00 | 27931.00 | 14350.00 | 30486.50 | 21899.50 | 25933.00 | - | 31890.00 | - | 35119.00 | ||
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ | 6962.00 | 9590.00 | 7473.33 | 17950.00 | 4950.50 | 12846.50 | 16441.00 | 10600.00 | 9187.00 | 12119.00 | 11139.50 | 16248.00 | 10793.00 | - | - | 7243.00 | 15336.50 | 7358.00 | 12905.00 | 11623.00 | 10833.00 | 12659.50 | 10655.00 | - | 13486.75 | - | 12355.67 | 4058.00 | 6133.00 | - | 19239.00 | 12407.67 | 10676.67 | 12481.67 | 10861.00 | - | 5836.00 | 7450.00 | 10643.00 | 8842.00 | - | 11869.00 | - | 11756.00 | 12129.00 | 11966.00 | ||
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ | 1155583.00 | 1398408.00 | 1049260.33 | 1695724.33 | 930561.00 | 2079295.67 | 3544768.00 | 1335648.00 | 1155331.00 | 1380715.00 | 1823390.50 | 1459717.67 | 1328565.00 | 1088502.00 | 1180740.25 | 955325.00 | 2061774.50 | 1417956.25 | 1028092.50 | 1297514.50 | 1746032.33 | 1331314.67 | 1399586.00 | 1303421.00 | 1587745.80 | 1009751.00 | 1325829.40 | 767163.00 | 920111.00 | 946573.00 | 1458621.67 | 2083210.67 | 1448018.67 | 1829565.67 | 1113199.00 | 1316965.50 | 986909.00 | 1424002.00 | 1120635.50 | 1151713.00 | 1033677.00 | 1538791.00 | 1996628.00 | 1468382.50 | 1425304.00 | 1618363.50 | ||
BIURET (CAS# 108-19-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | 3181.50 | - | - | 6502.00 | - | 3847.50 | - | 10700.00 | - | - | 1943.00 | 3914.00 | - | - | - | 2399.00 | - | 3510.00 | - | - | - | 1937.00 | - | - | - | - | 11202.50 | 1790.00 | - | - | 7853.00 | - | - | 1891.00 | - | - | - | ||
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1299.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | - | - | - | - | 6349.00 | - | - | - | 5169.00 | - | - | 14628.00 | - | - | 4071.00 | 2894.50 | - | - | - | - | - | - | - | - | 2902.00 | - | - | - | - | - | - | 2832.00 | - | 1118.00 | - | 5177.00 | - | - | - | 3631.00 | - | 1565.00 | - | - | - | - | ||
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | - | - | 3374.00 | - | 1059.00 | 2398.00 | - | - | - | - | - | - | - | 2416.00 | - | - | - | - | 11494.00 | - | - | - | - | - | 5091.00 | 6384.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 21226.00 | - | - | - | - | - | - | ||
CAFFEINE (CAS# 58-08-2); (M+H)+ | 1428477.00 | 887160.00 | 2341790.00 | 1395681.67 | 767752.33 | 1249485.33 | 38537.00 | 66161.00 | 892491.50 | 1808922.00 | 137093.50 | 921043.00 | 410332.00 | 90883.00 | 433059.50 | 593436.50 | 545513.00 | 368220.75 | 814219.50 | 306393.50 | 374582.50 | 189069.67 | 2194224.00 | 238330.00 | 981527.80 | 1827044.00 | 727254.00 | 67174.00 | - | 184952.00 | 1313969.67 | 372951.50 | 1651585.67 | 618359.00 | 988288.50 | 108570.50 | 490384.00 | 211917.00 | 760943.00 | 147487.00 | 604411.00 | 101092.00 | 147769.00 | 191194.50 | 91455.00 | 520043.00 | ||
CAFFEINE (CAS# 58-08-2); (M+NA)+ | - | - | 15499.00 | 13051.00 | 7756.00 | 19013.00 | - | - | 9319.00 | 20825.00 | - | - | - | - | 11607.00 | 4437.00 | 1094.00 | 8001.00 | 9249.00 | 4241.00 | - | - | 14973.00 | - | 15932.00 | 11127.00 | - | - | - | - | 9274.00 | - | 14633.00 | 4835.00 | 14383.00 | - | 4074.00 | - | 4321.00 | 2406.00 | - | - | - | - | - | 7308.00 | ||
CALCIDIOL (CAS# 19356-17-3); (M+H)+[-H2O] | - | - | 1379.50 | - | - | - | - | - | - | - | - | 2008.00 | - | - | - | - | - | - | - | 1281.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1003.00 | - | - | - | ||
CALCIDIOL (CAS# 19356-17-3); (M+NA)+ | - | - | - | 5224.00 | - | - | - | - | 5250.00 | 2147.00 | - | - | 5262.00 | - | 5427.00 | 3076.00 | - | - | - | - | - | - | - | 7196.00 | 5511.00 | - | - | - | - | - | - | - | 2071.00 | - | - | - | - | - | - | - | - | 8772.00 | - | - | - | 4157.00 | ||
CARNOSINE (CAS# 305-84-0); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1778.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CARNOSINE (CAS# 305-84-0); (M+NA)+ | - | - | - | - | - | - | - | 2475.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 17273.00 | 10156.00 | 11995.67 | 21567.00 | 15658.00 | 10190.00 | 20989.00 | 24219.50 | 6106.33 | 7785.00 | 5186.00 | 5978.25 | 7176.00 | 5870.00 | 10861.67 | 5508.50 | 10730.00 | 21603.33 | 8812.33 | 6484.00 | 5414.00 | 12773.80 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 12591.67 | 29036.67 | 11710.67 | 12140.33 | 4546.00 | 28713.00 | 92710.33 | 11372.00 | 9555.00 | 4488.00 | 19966.67 | 2878.00 | 5154.00 | 7232.00 | 2810.00 | 22188.00 | ||
CHOLATE (CAS# 81-25-4); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9239.00 | 1261.00 | 4517.00 | - | 3958.00 | 99615.00 | - | - | 1700.00 | - | - | - | 6152.00 | - | 4871.00 | 4052.00 | - | - | - | 5357.00 | - | - | - | - | - | - | - | - | - | - | ||
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] | 324883.00 | 430486.00 | 401870.67 | 384812.33 | 291243.00 | 411414.00 | 322133.00 | 400551.00 | 315983.50 | 365334.00 | 423028.50 | 379272.33 | 654574.00 | 373954.00 | 351593.25 | 348768.50 | 536062.00 | 269584.75 | 308141.50 | 355767.50 | 301430.00 | 387737.00 | 345491.00 | 535484.00 | 438043.60 | 217245.00 | 373622.20 | 248121.00 | 271727.00 | 158750.00 | 393600.00 | 320569.67 | 381255.33 | 379005.67 | 425903.00 | 459512.50 | 278607.67 | 236569.00 | 297421.50 | 401766.50 | 298092.00 | 573064.00 | 290269.00 | 459611.00 | 423911.00 | 282968.50 | ||
CHOLINE (CAS# 62-49-7); M+ | 5244.00 | - | 12227.00 | 21311.00 | - | 4628.00 | 3775.00 | - | 9688.00 | 1686.00 | 2524.00 | 3593.00 | - | - | 4663.00 | 6122.00 | 4566.50 | 3028.75 | 8826.50 | - | 3250.33 | - | 2571.00 | 6283.00 | 12317.25 | 2242.00 | 9845.00 | - | 2133.00 | - | 4610.50 | 7756.33 | 8210.50 | 2561.50 | - | 9046.00 | 4563.50 | 15694.00 | 4224.00 | - | 4580.00 | - | 6014.00 | - | - | - | ||
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2938.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ | 6672.00 | 8249.00 | 10735.33 | 10924.33 | 8994.33 | 10847.33 | 6892.00 | 4330.00 | 7650.50 | 11505.67 | 11374.00 | 8972.33 | 11978.00 | 6330.00 | 8460.00 | 11542.00 | 13292.00 | 8329.25 | 12631.50 | 10129.50 | 9319.00 | 14127.67 | 9552.00 | 13614.00 | 11000.20 | 3081.00 | 9345.60 | 8755.00 | 9258.00 | 3118.00 | 12793.33 | 10306.67 | 9466.00 | 15559.33 | 13623.00 | 11238.00 | 6054.67 | 11059.00 | 8308.00 | 13363.00 | 10651.00 | 13507.00 | 3823.00 | 12432.50 | 10135.00 | 9936.00 | ||
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+ | - | - | - | 1458.00 | - | 2905.00 | - | - | - | - | - | - | - | - | 5273.00 | - | - | 3643.00 | - | - | - | 6541.00 | - | - | - | - | - | 6824.00 | - | - | - | 3631.00 | 3399.00 | 5306.00 | - | - | - | - | - | - | - | - | - | 6052.00 | - | 4198.00 | ||
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ | 4507902.00 | 6081195.00 | 6078795.67 | 6099838.33 | 5279023.33 | 5741072.67 | 4212346.00 | 5025230.00 | 4882354.00 | 5068107.67 | 7653412.00 | 5249981.33 | 6455255.00 | 5048965.00 | 5663338.00 | 4396441.00 | 6118638.00 | 5788783.25 | 4953079.50 | 5414295.50 | 6586012.67 | 5773116.67 | 3489602.00 | 7678779.00 | 6369461.60 | 5606797.00 | 5126205.20 | 5216689.00 | 5088149.00 | 4639472.00 | 6124730.00 | 5526366.00 | 5646918.00 | 5548250.67 | 6599521.50 | 7201434.00 | 5343754.67 | 6862336.00 | 4403575.50 | 5083631.00 | 5743541.33 | 5927159.00 | 5862631.00 | 5816690.50 | 4271761.00 | 5227427.50 | ||
CITRAMALATE (CAS# 2306-22-1); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1645.00 | - | - | - | - | - | - | - | - | ||
CITRATE (CAS# 77-92-9); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1143.00 | 1255.00 | - | - | - | - | - | - | - | - | - | - | 1417.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CITRATE (CAS# 77-92-9); (M+NA)+ | 4370.00 | 32714.00 | 2677.00 | 2913.00 | 5372.00 | 16256.00 | - | 5773.00 | 10504.00 | 2889.00 | 8433.00 | 9897.50 | 5730.00 | - | 7928.50 | 1418.00 | 5793.50 | 6571.00 | 4351.00 | 9611.00 | 9071.00 | 11309.00 | - | 9860.00 | 10162.60 | - | 18749.67 | - | 10370.00 | - | 11121.00 | 4704.50 | 13998.50 | 17562.33 | 10580.00 | 10160.50 | - | 15367.00 | - | 1246.00 | 6805.00 | 19533.00 | 2649.00 | 11674.50 | 7056.00 | 10753.50 | ||
CITRULLINE (CAS# 372-75-8); (M+H)+ | - | - | - | - | - | 2093.50 | - | - | - | - | - | 2606.00 | - | - | - | - | - | - | - | - | - | - | - | 1691.00 | - | - | - | - | - | - | - | 2727.00 | 3306.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CITRULLINE (CAS# 372-75-8); (M+NA)+ | 3095.00 | - | - | 1840.00 | - | 1580.00 | 1419.00 | - | - | - | 4452.00 | - | - | 3491.00 | 1241.00 | 2367.00 | - | 1235.00 | - | 2494.00 | 2973.00 | 2733.00 | 6414.00 | - | 1989.50 | - | 1212.00 | - | - | - | 1570.00 | 6001.00 | 1158.00 | 2013.50 | 2499.50 | 2889.00 | 1777.50 | 5467.00 | 1875.00 | 2551.00 | 1441.00 | - | - | 2049.00 | - | - | ||
CMP (CAS# 63-37-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1648.00 | - | - | - | 1012.00 | - | - | - | - | - | - | - | - | - | - | ||
CORTICOSTERONE (CAS# 50-22-6); (M+H)+ | - | - | 10046.00 | - | - | - | - | - | - | - | - | - | - | - | 3267.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ | - | - | 171381.00 | - | - | 9329.00 | - | - | - | - | - | 24494.00 | - | - | 74268.00 | - | - | - | 12453.00 | - | 45264.00 | - | - | - | 14439.00 | - | 6325.00 | - | - | - | 19669.00 | - | 7415.00 | - | - | - | - | - | - | - | - | - | - | - | 16982.00 | - | ||
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 8669.00 | - | - | - | - | - | 6056.00 | - | - | - | - | - | - | - | 1773.00 | - | - | - | - | 11630.00 | - | - | - | - | - | - | - | - | ||
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5092.00 | - | - | - | - | - | - | - | - | ||
CORTISOL (CAS# 50-23-7); (M+H)+ | 19140.00 | - | 11766.00 | 9885.33 | 12470.50 | 15681.33 | 8249.00 | 16934.00 | 14589.50 | 10839.00 | 20498.00 | 27498.50 | 6688.00 | - | 15029.75 | 7034.00 | 11061.50 | 14535.50 | 20435.00 | 24107.00 | 9657.00 | 16645.50 | 8266.00 | 23782.00 | 16497.25 | 9763.00 | 18677.80 | 9432.00 | 10935.00 | 8851.00 | 18182.00 | 16390.00 | 16986.00 | 16973.67 | 10101.00 | 13231.00 | 7706.00 | 23074.00 | 10258.50 | 8728.00 | 13678.00 | 25772.00 | 20716.00 | 16990.50 | 25347.00 | 16253.50 | ||
CORTISOL (CAS# 50-23-7); (M+NA)+ | 217627.00 | 129809.00 | 123337.00 | 115444.67 | 138747.00 | 179088.00 | 122819.00 | 181908.00 | 156846.00 | 106019.67 | 209473.50 | 214708.33 | 71468.00 | 73240.00 | 167285.00 | 91346.50 | 121375.50 | 181268.50 | 222689.50 | 274839.00 | 101310.33 | 149603.00 | 78168.00 | 226807.00 | 163712.80 | 132147.00 | 194545.20 | 113810.00 | 131086.00 | 131262.00 | 196274.00 | 193779.33 | 176900.00 | 196371.00 | 110922.00 | 131327.50 | 91799.67 | 296292.00 | 118356.50 | 84651.00 | 113155.67 | 227928.00 | 245235.00 | 162306.00 | 292940.00 | 204098.00 | ||
CORTISONE (CAS# 53-06-5); (M+H)+ | - | 1087.00 | 2323.00 | - | 2527.50 | 2688.50 | - | - | 2098.00 | 2512.00 | 2264.00 | 4142.00 | - | - | 2371.75 | 2185.00 | 1505.00 | 2195.25 | 2945.50 | 4446.50 | 2523.00 | 1940.50 | - | 2607.00 | 2640.50 | - | 2797.40 | 2553.00 | 1863.00 | - | 2833.50 | 2214.00 | 3014.00 | 3104.50 | 2345.50 | 2432.50 | 1569.67 | 3973.00 | 2257.50 | 2300.00 | 2455.00 | 4806.00 | - | 2499.00 | 2939.00 | 2705.00 | ||
CORTISONE (CAS# 53-06-5); (M+NA)+ | 10092.00 | 10217.00 | 11618.33 | 11970.00 | 14728.00 | 18694.00 | 11586.00 | 15550.00 | 16441.50 | 16317.00 | 16306.00 | 25607.50 | 11220.00 | - | 15066.00 | 11146.50 | 17931.00 | 18882.75 | 18582.00 | 23522.50 | 12848.33 | 15957.67 | - | - | 16734.00 | 19257.00 | 17290.40 | 18802.00 | 17795.00 | 9451.00 | 15753.67 | 19307.33 | 14813.33 | 19311.67 | 14513.50 | 16344.50 | 9523.00 | 37119.00 | 13896.00 | 13062.00 | 14512.00 | 26458.00 | 26696.00 | 20870.00 | 20070.00 | 21667.00 | ||
(-)-COTININE (CAS# 486-56-6); (M+H)+ | 54112.00 | 104135.00 | 21048.33 | 51980.33 | 23912.67 | 34818.33 | 15756.00 | 18907.00 | 9651.50 | 16377.33 | 15704.50 | 17610.33 | 573038.00 | 494333.00 | 37061.75 | 126278.00 | 41755.50 | 46203.25 | 74300.00 | 33041.50 | 11599.67 | 12939.33 | 12518.00 | 61825.00 | 46296.75 | 54641.00 | 29737.50 | 45003.00 | 5120.00 | 1869.00 | 16093.00 | 190234.00 | 27427.00 | 195839.33 | 32040.00 | 15006.00 | 16695.00 | 51224.00 | 20081.50 | 12273.50 | 22120.00 | 50864.00 | 30230.00 | 14321.50 | 26296.00 | 15905.00 | ||
CREATINE (CAS# 57-00-1); (M+H)+ | 195907.00 | 161254.00 | 124583.00 | 152048.00 | 86562.00 | 138978.00 | - | - | 119868.50 | 171928.00 | 124066.00 | 211691.00 | 55054.00 | 52553.00 | 223246.33 | 173873.50 | 320224.00 | 154308.00 | 234196.50 | 415534.00 | 286486.00 | 374480.00 | 157756.00 | - | 216657.67 | 230878.00 | 71649.25 | 176041.00 | - | 122316.00 | 103094.00 | 177879.33 | 93544.33 | 182884.00 | 332225.00 | 288315.50 | 165803.00 | 31222.00 | - | 277969.00 | 217343.00 | 144822.00 | 301009.00 | - | 298436.00 | - | ||
CREATININE (CAS# 60-27-5); (M+H)+ | - | - | - | - | - | 57801.00 | 70189.00 | 150170.00 | - | - | 77753.00 | 155138.00 | - | - | - | 39144.00 | - | - | - | - | - | 63998.00 | - | - | - | 72201.00 | - | - | - | - | - | 83679.00 | - | - | - | - | - | - | 83312.00 | - | 48209.00 | - | - | - | - | - | ||
CREATININE (CAS# 60-27-5); (M+NA)+ | 51416.00 | - | - | 55029.33 | - | 49586.00 | 15409.00 | 28773.00 | - | 61548.00 | - | 81593.00 | 49032.00 | - | - | 42912.00 | 35243.00 | 31533.00 | 32495.00 | - | - | 82130.00 | 38025.00 | - | 56622.33 | - | 28724.00 | - | - | - | 35793.50 | 26437.00 | 4608.00 | 29243.00 | 73990.00 | - | - | 40905.00 | 18571.50 | - | 56424.00 | - | - | 43222.00 | 52496.00 | 47686.00 | ||
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4849.00 | - | - | - | - | - | - | - | - | - | 2589.00 | - | - | - | - | - | - | - | - | - | 3001.00 | - | - | - | 1209.00 | 2763.50 | - | - | - | - | - | - | ||
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4448.00 | - | - | - | - | - | 1225.00 | - | - | - | ||
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+ | - | - | - | - | 2655.00 | - | - | - | 3150.00 | - | - | - | - | - | - | - | - | 1918.00 | 1776.00 | - | - | - | - | - | 3733.00 | - | - | - | - | - | 4965.00 | - | - | - | 2347.00 | - | 7451.00 | - | 6412.00 | - | - | - | - | - | 5195.00 | - | ||
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+ | 33993.00 | 6302.00 | - | - | 4357.00 | - | - | - | 4312.00 | - | - | 4214.00 | 7837.00 | - | 11753.00 | - | - | 11845.00 | - | - | 36725.00 | 14679.00 | 6260.00 | - | - | - | 10811.00 | - | - | - | - | - | 18100.00 | - | - | 5649.00 | - | - | - | - | 18412.00 | - | - | - | - | 4360.00 | ||
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] | - | - | 29042.67 | 12103.00 | 11931.33 | 19509.67 | 3399.00 | - | 27908.00 | 14854.00 | 24849.00 | 3002.00 | - | - | 3757.00 | 17874.00 | - | 8660.33 | - | 25699.00 | 22503.50 | - | 8126.00 | - | 27202.50 | 25405.00 | 9736.25 | 19255.00 | - | - | 5125.00 | 8935.00 | 30887.00 | 14400.00 | 14805.50 | 48418.00 | 22245.00 | 12768.00 | 20339.00 | - | 15686.00 | 34735.00 | - | - | 1768.00 | - | ||
CYSTINE (CAS# 56-89-3); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2631.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
CYSTINE (CAS# 56-89-3); (M+NA)+ | - | 2533.00 | - | - | - | - | - | - | - | - | 1126.00 | - | - | - | 7377.00 | - | - | 3100.00 | - | - | 1335.00 | 2177.00 | - | - | 6485.50 | - | 3858.67 | 3242.00 | - | - | 4748.00 | - | 8782.00 | 4989.00 | - | 6809.00 | 2314.50 | - | - | - | 1582.00 | 3774.00 | - | 8536.00 | - | - | ||
CYTIDINE (CAS# 65-46-3); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1561.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2836.00 | ||
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ | - | - | 26789.00 | 8090.00 | 2148.00 | 1933.00 | - | - | - | 11402.00 | - | - | - | - | - | - | - | 7006.00 | 9166.00 | - | 4827.00 | 2416.00 | - | 10579.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5965.00 | - | 28922.00 | - | - | - | - | - | ||
DEBRISOQUIN (CAS# 581-88-4); (M+H)+ | - | 1760.00 | 7819.00 | - | - | - | - | - | - | 2335.00 | - | 3307.00 | - | - | 5586.00 | - | 2585.00 | - | - | - | 2042.00 | 19516.00 | - | - | 10378.00 | - | - | - | - | - | 10152.00 | - | - | - | 1780.00 | - | - | - | - | - | - | - | - | 23604.00 | - | - | ||
DECANOATE (CAS# 334-48-5); (2M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3151.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
DECANOATE (CAS# 334-48-5); (2M+NA)+ | 4019.00 | - | - | 7594.00 | - | - | 18176.00 | - | - | - | - | - | - | - | 8632.00 | - | - | 16750.00 | - | - | 22211.00 | - | - | - | 7829.00 | - | - | - | - | - | - | 13952.00 | - | - | 9930.00 | - | - | - | 9611.00 | - | 13352.00 | - | - | - | - | 7965.00 | ||
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+ | - | - | - | - | - | - | - | - | 3810.00 | - | 1305.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ | - | - | 3882.50 | 4127.00 | 4835.00 | - | - | - | 4753.00 | 5222.50 | 4448.00 | 4126.50 | - | - | 4616.50 | - | 4483.00 | 12928.50 | 2109.00 | 7663.00 | - | - | - | - | 4059.00 | - | 3064.00 | 7869.00 | - | - | 6797.00 | 12152.00 | 2555.00 | - | 1924.00 | - | - | - | - | - | 3076.00 | - | - | 1424.00 | 4132.00 | - | ||
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+ | - | - | 2191.00 | - | - | 1814.00 | - | - | - | 1052.00 | 2377.00 | - | - | - | - | - | 5197.00 | - | - | - | - | - | - | - | 2230.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 13948.00 | 1287.00 | - | - | - | - | - | ||
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ | 40984.00 | 75499.00 | 32272.33 | 48112.00 | 27032.67 | 51870.50 | - | - | 47530.00 | 52473.00 | 28885.00 | 42374.00 | 22249.00 | - | 58480.67 | - | 27195.00 | 39715.33 | 24034.00 | 44939.00 | 39234.50 | - | 42514.00 | - | 59815.33 | 45005.00 | 35755.50 | - | 17937.00 | 50766.00 | 44322.67 | 24236.00 | 64481.00 | 24102.00 | - | 32767.50 | 40112.00 | 31587.00 | 29778.00 | 15328.00 | 35901.00 | - | 38756.00 | 35942.00 | - | 67882.00 | ||
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ | - | 1922.00 | 1050.00 | 1460.00 | - | - | - | - | - | - | - | 1960.00 | - | - | 1785.00 | 1639.00 | - | 1065.00 | - | 1874.00 | - | 1951.00 | 1459.00 | - | 1781.67 | 1401.00 | 2058.00 | - | - | 2380.00 | - | 1094.00 | 1116.00 | - | - | - | - | 6233.00 | - | 2395.50 | 1282.00 | - | - | 1601.00 | - | - | ||
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O] | - | - | 2089.50 | 1287.00 | - | 3435.33 | - | - | 1668.00 | 1509.00 | 2690.00 | 3895.50 | - | - | - | - | 3080.00 | - | 2831.00 | - | 3446.00 | 2750.00 | - | - | 3063.50 | - | 3582.00 | 1164.00 | 1461.00 | - | 4421.00 | - | 4154.00 | 3443.00 | - | 1704.00 | - | - | - | - | 3894.00 | 1513.00 | - | - | 1674.00 | 1186.00 | ||
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+[-H2O] | - | 3974.00 | 1625.00 | - | 4285.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4486.00 | 1679.00 | - | - | - | - | - | - | - | - | - | - | - | - | 8199.00 | - | - | - | - | - | - | - | - | - | - | 1569.00 | ||
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+ | - | - | - | - | 203905.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1327.00 | - | - | - | - | - | - | - | - | - | - | - | 1102.00 | - | - | - | - | - | - | - | - | - | - | 1835.00 | - | - | - | - | - | ||
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+NA)+ | - | - | - | - | 1137.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1041.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
DIMETHYLBENZIMIDAZOLE (CAS# 582-60-5); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 10316.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ | - | - | 2117.00 | - | - | - | - | - | - | - | - | - | - | - | 2716.00 | - | 1757.00 | 1387.00 | 1908.00 | - | 2380.00 | 1797.00 | - | 1783.00 | 3025.00 | - | - | 1091.00 | 1042.00 | - | - | - | - | 3038.00 | 1477.00 | 1701.00 | 1240.00 | - | - | 1508.00 | 1863.00 | 4295.00 | - | - | - | - | ||
D-LYXOSE (CAS# 1114-34-7); (M+NA)+ | - | - | - | 8090.00 | 2148.00 | 1933.00 | - | - | - | 11402.00 | - | - | - | - | - | - | - | 7006.00 | - | - | 3652.00 | 2416.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5965.00 | - | 28922.00 | - | - | - | - | - | ||
D-ORNITHINE (CAS# 348-66-3); (M+H)+ | 5758.00 | 10787.00 | 9757.00 | 15525.00 | 8617.33 | 5508.33 | 5717.00 | 7689.00 | 5658.50 | 8223.67 | 10027.50 | 8323.50 | 13910.00 | 8132.00 | 6740.67 | 7538.00 | 7883.00 | 4554.25 | 4834.00 | 5556.50 | 6530.00 | 7273.67 | 9770.00 | 13570.00 | 14051.00 | 8056.00 | 9539.20 | 5091.00 | 3497.00 | 4941.00 | 10148.67 | 7277.67 | 10703.33 | 11720.00 | 11994.00 | 19338.50 | 6410.33 | 4218.00 | 5581.50 | 9800.00 | 8159.00 | 10664.00 | 4248.00 | 9578.00 | 5656.00 | 4820.00 | ||
D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2481.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4965.00 | 2064.00 | - | - | - | - | - | - | - | - | - | ||
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] | 22521.00 | 28627.00 | 23209.33 | 18354.00 | 8999.50 | 14062.50 | 21567.00 | 15658.00 | 10190.00 | 28378.00 | 24219.50 | - | - | 3006.00 | 5255.00 | 3250.00 | 8698.00 | 9056.00 | 5901.00 | 10730.00 | 21603.33 | 10350.00 | 6484.00 | - | 12405.00 | 5457.00 | 5632.20 | 7527.00 | 5218.00 | 16018.00 | 27310.00 | 77111.00 | 19106.00 | 14580.50 | 6189.00 | 30120.00 | 92710.33 | 11372.00 | 9555.00 | 3623.00 | 11938.50 | 3305.00 | - | 8514.00 | - | 22188.00 | ||
DUMP (CAS# 964-26-1); (M+K)+ | - | - | - | - | - | - | - | - | - | - | 1073.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
EDTA (CAS# 60-00-4); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1338.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ELAIDIC ACID (CAS# 112-79-8); (M+H)+ | 6672.00 | 8249.00 | 10735.33 | 10924.33 | 8994.33 | 10847.33 | 6892.00 | 4330.00 | 7650.50 | 11505.67 | 11374.00 | 8972.33 | 11978.00 | 6330.00 | 8460.00 | 11542.00 | 13292.00 | 8329.25 | 12631.50 | 10129.50 | 9319.00 | 14127.67 | 9552.00 | 13614.00 | 11000.20 | 3081.00 | 9345.60 | 8755.00 | 9258.00 | 3118.00 | 12793.33 | 10306.67 | 9466.00 | 15559.33 | 12985.00 | 11238.00 | 6054.67 | 11059.00 | 8308.00 | 13363.00 | 10664.50 | 13507.00 | 3823.00 | 12432.50 | 10135.00 | 9936.00 | ||
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ | 19148.00 | 28950.00 | 15806.50 | - | 10955.33 | 15082.00 | 20242.00 | - | 70780.00 | 17656.00 | - | 17854.00 | 14156.00 | - | 19160.00 | 13292.00 | 18117.00 | 13964.67 | 67529.00 | 7720.00 | 13198.00 | 6803.00 | 11385.00 | 16520.00 | 23242.00 | - | 18583.50 | - | 9184.00 | - | 7357.00 | 4748.00 | 17213.00 | 32642.00 | 10368.50 | 18895.50 | 14559.50 | - | 7889.00 | 19950.50 | 10909.50 | 15482.00 | - | 12588.50 | - | - | ||
EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1877.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
EPINEPHRINE (CAS# 51-43-4); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4542.00 | - | - | - | - | 1003.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O] | - | 19689.00 | 13187.00 | 16635.00 | 5208.00 | 7043.00 | - | - | 12595.00 | 14256.67 | 11412.00 | 7916.00 | - | - | 14481.50 | 3250.00 | 18910.50 | - | 4210.00 | 12140.00 | 2048.00 | 14951.50 | 17269.00 | - | 14328.50 | 12877.00 | 4187.00 | - | - | 6142.00 | 13410.00 | - | 10542.00 | - | 13342.00 | - | 9712.00 | - | 16773.00 | 4096.00 | 8730.00 | - | 5352.00 | 4429.00 | 8807.00 | 1616.00 | ||
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ | - | - | 3453.00 | - | - | - | - | - | - | - | - | 3101.00 | 5085.00 | - | 6586.00 | - | - | - | - | - | 3417.00 | - | 2100.00 | 2998.00 | 5283.00 | - | 3578.00 | - | - | - | - | - | - | 5014.00 | 5112.00 | 7113.00 | - | - | - | 6837.00 | 10397.00 | - | - | 10133.00 | - | - | ||
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | 2821.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ESTRONE (CAS# 53-16-7); (M+H)+ | - | - | - | - | - | - | - | - | 1288.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ESTRONE (CAS# 53-16-7); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2309.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1224.00 | - | - | - | - | - | - | - | - | ||
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ | - | - | - | - | - | 2464.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1957.50 | - | - | - | - | - | - | - | - | 2427.50 | - | - | - | - | 4488.00 | - | - | - | - | - | - | - | ||
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+ | - | - | - | 4995.00 | 4796.00 | 3182.00 | - | - | - | - | - | - | 6285.00 | - | 5119.00 | - | - | 3860.00 | 1492.00 | - | - | 1405.00 | - | - | 5750.00 | - | 3423.00 | - | - | - | 4855.00 | - | 12165.00 | - | - | 6080.50 | - | - | - | 6283.00 | - | 6144.00 | - | 5850.00 | - | - | ||
FRUCTOSE (CAS# 57-48-7); (M+NA)+ | 433616.00 | 1800840.00 | 1281005.50 | 663809.67 | 434167.50 | 524153.00 | 85210.00 | - | 680299.50 | 1240414.67 | 1249223.50 | 645420.00 | 898769.00 | 1059795.00 | 1080038.75 | 875731.50 | 1114084.00 | 646668.00 | 575235.00 | 180703.00 | 1028711.00 | 549977.00 | - | 1869411.00 | 920065.00 | 145521.00 | 514516.20 | 99054.00 | 796411.00 | 552896.00 | 921342.33 | 995574.50 | 634322.00 | 975193.33 | 682845.00 | 1297888.00 | 615036.67 | 195717.00 | 368703.50 | 811942.50 | 793253.00 | 1061766.00 | 888464.00 | 1188021.50 | 164294.00 | 1175835.00 | ||
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+ | - | - | - | 19042.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 8731.00 | - | - | - | - | - | - | - | 22500.00 | - | - | - | - | - | - | - | 2894.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | 1273.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ | - | - | - | - | - | 1176.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ | - | - | 89154.50 | 250882.50 | 56748.33 | 149829.00 | 367746.00 | - | 42891.00 | 63573.00 | 54171.50 | 76524.50 | 65870.00 | 105722.00 | 127200.00 | 67282.00 | 400699.00 | 335992.50 | 76623.00 | 55346.00 | 102394.00 | 10067.00 | 69908.00 | - | 69702.50 | 336981.00 | 208018.00 | 56242.00 | 106535.00 | 259790.00 | 28431.00 | 435348.00 | 79087.50 | 85434.00 | 49372.00 | 10645.00 | 110953.00 | 23234.00 | 10684.00 | 54170.50 | 217270.50 | - | - | 61862.50 | - | 473308.00 | ||
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ | 5723.00 | 8198.00 | 7508.67 | 8272.33 | 6447.00 | 7932.50 | - | 7166.00 | 6487.00 | 7183.33 | 7784.50 | 7373.67 | 8613.00 | 6738.00 | 7736.25 | 5507.50 | 8462.00 | 6189.00 | 6176.50 | 7100.00 | 7791.00 | 6815.00 | 4747.00 | 9977.00 | 8073.80 | - | 7216.25 | 7249.00 | 7133.00 | - | 7441.67 | 6203.00 | 7281.67 | 7518.50 | 8028.50 | 9529.50 | 6866.33 | 10293.00 | 6623.50 | 7296.50 | 7211.67 | 6328.00 | - | 7604.00 | 6187.00 | 6738.50 | ||
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+ | - | - | - | - | - | - | - | - | - | 2003.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1359.00 | - | - | - | - | - | - | - | - | - | - | - | 1479.00 | - | - | ||
GLUCOSE (CAS# 50-99-7); (2M+NA)+ | 13524.00 | - | - | 14762.00 | 5143.00 | 10980.00 | - | - | 8188.00 | 7844.67 | 8449.00 | 7262.50 | 8347.00 | 5253.00 | 8449.00 | - | 11989.00 | 3828.33 | 5191.00 | 5865.00 | 9916.33 | 12874.33 | - | - | 9664.50 | 8101.00 | 3156.00 | 2713.00 | 9430.00 | 3132.00 | 12097.00 | 3886.00 | 2999.00 | 5458.50 | - | 11620.00 | 4967.00 | 8884.00 | 4106.00 | 8368.00 | 6623.00 | 9895.00 | 4448.00 | 12746.00 | 10274.00 | 11294.00 | ||
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] | 26397.00 | 28627.00 | 24966.67 | 18354.00 | 15284.00 | 14062.50 | 21567.00 | 15658.00 | 10190.00 | 26649.00 | 24219.50 | - | - | 5186.00 | 6620.33 | 6311.00 | 8698.00 | 10861.67 | 5901.00 | 10730.00 | 21603.33 | 10350.00 | 6484.00 | - | 13467.00 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 27310.00 | 74698.00 | 22393.00 | 13809.00 | 6189.00 | 28713.00 | 92696.67 | 11372.00 | 9555.00 | 4488.00 | 11938.50 | 3305.00 | - | 8514.00 | - | 22188.00 | ||
GLUCOSE (CAS# 50-99-7); (M+NA)+ | 381231.00 | 1565651.00 | 1244815.50 | 672617.33 | 655332.50 | 492264.50 | 85210.00 | - | 664147.00 | 1206115.67 | 1064805.50 | 612972.50 | 831765.00 | 1018636.00 | 1051340.50 | 871635.00 | 989574.00 | 624339.00 | 575235.00 | 178928.00 | 1028711.00 | 550702.67 | - | 1869411.00 | 1236073.50 | 145521.00 | 648557.20 | 585504.00 | 762825.00 | 552896.00 | 930971.00 | 969748.50 | 1248664.50 | 975193.33 | 618527.50 | 1297888.00 | 583876.00 | 195717.00 | 522539.50 | 468157.50 | 762732.00 | 1061766.00 | 888464.00 | 1162885.00 | 164294.00 | 1136998.00 | ||
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1664.00 | - | - | - | - | - | ||
GLUTAMATE (CAS# 56-86-0); (M+H)+ | - | - | 8133.00 | 3976.00 | - | 1110.00 | - | - | - | 1916.00 | - | 2087.00 | 3543.00 | 2117.00 | - | - | 1190.00 | - | 21467.00 | 1020.00 | 3672.67 | 3874.00 | - | - | 1966.50 | - | 2229.67 | - | - | - | 1508.00 | - | 1951.50 | - | - | 1681.00 | 3357.50 | 1199.00 | - | - | - | - | 2001.00 | 3998.00 | 1112.00 | 1962.50 | ||
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] | - | 8035.00 | 9727.00 | 8633.50 | 8315.00 | 6868.50 | - | 4402.00 | 9546.00 | 10980.00 | 22569.00 | 5744.67 | 42481.00 | - | 13050.67 | 9219.00 | 10776.50 | 9925.50 | 4111.00 | 5812.00 | 22003.00 | 7670.50 | 12649.00 | - | 26685.00 | 10965.00 | 6633.40 | 8326.00 | 5582.00 | 7731.00 | 9530.00 | 6078.00 | 16074.00 | 5736.50 | 9935.50 | 16165.00 | 13134.67 | - | - | - | 5268.00 | - | - | 11483.00 | 7919.00 | 5721.00 | ||
GLUTAMINE (CAS# 56-85-9); (M+NA)+ | - | - | - | - | - | 7538.00 | - | - | 10313.00 | - | - | - | - | 20060.00 | 10794.00 | - | - | - | - | 13100.00 | 18815.00 | 12074.00 | 15569.00 | - | 12109.00 | - | 8885.00 | - | - | 8997.00 | 10126.00 | - | - | 8319.00 | - | - | 10567.50 | - | - | - | - | 18550.00 | - | - | 8216.00 | - | ||
GLUTARATE (CAS# 110-94-1); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1289.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O] | - | - | - | 4551.00 | 8058.00 | - | - | - | - | 8209.00 | - | 9687.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O] | - | - | - | - | - | 2606.00 | - | - | - | - | 2716.00 | - | 3261.00 | - | - | - | - | - | - | - | 3517.00 | - | - | 10387.00 | - | - | 1409.00 | - | - | - | - | 2537.00 | - | - | - | - | - | - | - | - | 1280.00 | - | - | - | - | - | ||
GLYCINE (CAS# 56-40-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 15554.00 | - | - | - | - | - | - | - | - | - | 12263.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+ | - | - | 5103.00 | 1441.00 | 12257.00 | 2457.00 | - | - | 12120.00 | 2518.50 | - | - | - | - | 5958.00 | - | - | 6074.00 | - | 2873.00 | - | 1438.50 | - | - | 7427.00 | 2603.00 | - | 1321.00 | 1479.00 | 5377.00 | - | - | 13612.00 | - | 2335.00 | - | 9610.00 | - | - | - | 22461.00 | - | - | - | - | - | ||
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O] | - | - | 8848.00 | 7287.00 | 35241.00 | 3798.00 | - | - | 33054.00 | 2787.00 | - | 2884.00 | - | - | 8881.50 | 11989.00 | 35991.00 | 27032.00 | - | 14584.00 | 2240.00 | - | 3981.00 | - | 16141.50 | - | - | - | 2960.00 | 19615.00 | 10817.50 | - | 69130.00 | - | 3743.00 | - | 17985.50 | 2375.00 | - | - | 41487.00 | - | - | 11628.00 | - | - | ||
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ | 78554.00 | 25407.00 | 33317.67 | 35966.33 | 71671.50 | 17832.00 | 9661.00 | 12045.00 | 94939.00 | 22797.67 | 23112.00 | 32258.00 | - | - | 42119.75 | 55577.00 | 100889.00 | 50452.33 | 31796.00 | 28967.50 | 33885.00 | 19989.50 | 18155.00 | 18899.00 | 54985.50 | 54408.00 | 15871.50 | 32106.00 | 21495.00 | 102581.00 | 74345.50 | 51909.33 | 164256.50 | 29942.50 | 40979.00 | 24551.00 | 48944.67 | - | 38992.50 | 8242.00 | 128702.00 | 6977.00 | - | 30259.50 | - | 5825.00 | ||
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2169.00 | - | - | - | - | - | - | 1663.00 | - | - | - | 8093.00 | - | - | - | - | - | ||
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O] | 11343.00 | - | - | - | - | - | - | - | 27664.00 | - | - | - | - | - | 3840.00 | - | - | - | - | - | 3080.00 | 1122.00 | - | - | 4116.50 | - | 3600.00 | - | - | - | 18003.00 | - | - | - | - | - | 2817.00 | - | - | - | 19903.00 | - | - | - | - | - | ||
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ | 25346.00 | - | 26868.50 | 10034.00 | 31301.67 | 53845.00 | 13365.00 | 15042.00 | 113033.00 | 10242.67 | 16706.00 | 12184.00 | - | - | 10259.00 | - | 18532.00 | 15215.00 | 20557.00 | - | - | 11317.50 | - | - | 17528.80 | - | 10119.25 | 5926.00 | - | 38084.00 | 19718.50 | 27499.00 | 67479.00 | 14601.00 | 11014.00 | 25504.00 | 9896.50 | - | 20815.50 | 29422.00 | 59256.50 | 6754.00 | 1060.00 | 15140.00 | 14215.00 | 3026.00 | ||
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+ | 9105.00 | - | - | - | - | - | - | - | 2973.00 | - | - | 2820.00 | 2876.00 | 2301.00 | - | - | - | - | 2202.00 | 1010.00 | 2308.00 | 2260.00 | - | - | 4510.00 | - | 1518.50 | - | - | 1467.00 | 4232.50 | - | 8812.00 | - | 2232.00 | - | - | - | - | 2428.00 | - | - | 1287.00 | - | - | - | ||
GUAIFENESIN (CAS# 93-14-1); (M+NA)+ | - | - | - | - | 24207.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GUANINE (CAS# 73-40-5); (2M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | 41418.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
GUANINE (CAS# 73-40-5); (M+H)+ | 47893.00 | 36751.00 | 32058.00 | 40514.50 | 27664.33 | 40872.67 | 34122.00 | 27774.00 | 33619.50 | 34049.67 | 49679.00 | 45273.00 | 174102.00 | 23495.00 | 29720.00 | 38446.00 | 42728.00 | 34405.75 | 34517.00 | 40518.00 | 36205.50 | 38871.00 | 41363.00 | 40792.00 | 40360.80 | 46157.00 | 33853.40 | 38720.00 | 25033.00 | 25236.00 | 43856.33 | 46443.33 | 31324.50 | 29192.33 | 43265.00 | 48266.00 | 26572.00 | 41632.00 | 32419.50 | 39720.00 | 38105.33 | 41397.00 | - | 37407.00 | 26367.00 | 41210.50 | ||
GUANINE (CAS# 73-40-5); (M+NA)+ | - | - | - | - | - | 1406.00 | - | - | - | - | - | 3248.50 | 207118.00 | 1523.00 | 2835.00 | - | 1964.00 | 1840.00 | 1495.00 | 4716.00 | 3417.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 5313.00 | - | - | - | - | - | 2827.00 | - | - | - | 2080.00 | - | ||
GUANOSINE (CAS# 118-00-3); (M+H)+ | 101310.00 | 190008.00 | 34062.67 | 48433.00 | 45018.00 | 48127.00 | 134010.00 | 97058.00 | 60306.00 | 23987.67 | 64735.00 | 42416.67 | 21046.00 | 63249.00 | 30471.00 | 35085.00 | 117888.50 | 113784.25 | - | 79033.50 | 30034.00 | 31729.00 | - | 186603.00 | 38659.20 | 25489.00 | 36264.33 | 34542.00 | 8094.00 | - | 30101.67 | 59937.00 | 14904.67 | 7564.00 | 51246.00 | 16616.00 | 19562.33 | 41457.00 | 36397.00 | 116258.00 | 55876.50 | 16688.00 | 110658.00 | 43769.00 | 6100.00 | 28240.00 | ||
GUANOSINE (CAS# 118-00-3); (M+NA)+ | 14560.00 | - | - | - | - | - | - | - | - | 3008.00 | 24884.00 | 13895.00 | 8653.00 | - | - | - | - | - | - | - | - | - | - | - | 12931.00 | - | - | 8040.00 | - | - | - | - | - | - | - | - | - | 9489.00 | - | - | - | - | - | 14626.50 | - | - | ||
HIPPURATE (CAS# 495-69-2); (M+H)+ | - | 87479.00 | 40117.67 | - | 33030.00 | 24930.00 | - | 15704.00 | 29484.00 | 186797.33 | 23292.00 | 60453.50 | 18924.00 | 40914.00 | 16688.33 | 112671.00 | 80848.00 | 113356.33 | 50062.00 | 122834.50 | - | 10919.00 | 273240.00 | - | 210538.50 | - | 31293.00 | 29643.00 | - | - | 82235.00 | 121179.00 | 103673.67 | 59493.00 | 39701.00 | 36376.50 | 26458.67 | 228789.00 | 24651.50 | 30350.00 | 106128.00 | - | - | 9732.00 | - | 96825.50 | ||
HIPPURATE (CAS# 495-69-2); (M+NA)+ | 149923.00 | 269876.00 | 123988.33 | 95329.00 | 105221.00 | 78211.50 | 104546.00 | - | 99386.50 | 566795.67 | 88251.00 | 147652.67 | - | 137905.00 | 111115.75 | 341636.00 | 265661.00 | 349862.25 | 175028.00 | 412212.50 | 162588.50 | 87041.00 | 838677.00 | - | 469907.25 | 152039.00 | 96885.50 | 96936.00 | 58631.00 | - | 188589.33 | 320753.67 | 512081.50 | 145421.00 | 115328.00 | 105688.00 | 84885.00 | 912708.00 | 86088.00 | 83814.00 | 376085.00 | 104093.00 | 201048.00 | 95826.00 | 108033.00 | 696471.00 | ||
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+ | - | 66453.00 | 30539.00 | - | - | - | - | 21009.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
HOMOGENTISATE (CAS# 451-13-8); (M+H)+ | - | - | - | - | - | - | 24138.00 | - | 17777.00 | - | 9825.00 | 1108.00 | - | - | - | - | - | 20803.00 | - | - | - | - | - | - | - | 35672.00 | - | - | - | - | - | - | 1120.00 | 31531.00 | - | 48139.00 | - | - | - | - | 24693.00 | - | 36088.00 | - | - | - | ||
HOMOGENTISATE (CAS# 451-13-8); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2958.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1256.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2215.00 | - | - | - | - | - | - | - | - | - | - | ||
HOMOSERINE (CAS# 672-15-1); (M+H)+ | - | - | - | - | - | 1318.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 3143.00 | 1993.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
HOMOVANILLATE (CAS# 306-08-1); (M+H)+ | - | - | - | - | - | - | - | 1908.00 | - | - | - | 2832.00 | - | - | - | 1248.00 | - | - | - | - | - | - | - | - | 1668.00 | - | - | - | - | - | 7689.00 | - | 2630.00 | - | - | - | 2559.00 | - | 1379.00 | - | 1619.00 | - | - | - | 1720.00 | 1371.00 | ||
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 13866.00 | - | - | 17244.00 | - | - | - | - | - | - | - | - | - | - | - | - | 7303.50 | - | 8920.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
HYPOXANTHINE (CAS# 68-94-0); (M+H)+ | 418822.00 | 578155.00 | 455258.00 | 710365.33 | 423966.67 | 688543.67 | 465286.00 | 383803.00 | 463957.00 | 431849.67 | 773553.00 | 362950.33 | 645968.00 | 406471.00 | 335414.25 | 328665.50 | 378394.50 | 543082.25 | 337260.00 | 398921.00 | 318141.67 | 382406.00 | 532263.00 | 422760.00 | 408508.20 | 779020.00 | 405887.60 | 378072.00 | 99924.00 | 222830.00 | 565478.00 | 649439.33 | 422696.00 | 495623.67 | 544877.00 | 525227.00 | 336728.00 | 571004.00 | 392249.00 | 334126.50 | 486796.33 | 346878.00 | 714106.00 | 468682.50 | 424288.00 | 417543.00 | ||
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ | 110284.00 | 518786.00 | 331076.00 | 422004.67 | 190054.67 | 346605.33 | 57270.00 | 237511.00 | 156511.50 | 383550.33 | 388062.50 | 213136.33 | 524000.00 | 350727.00 | 266858.25 | 239893.00 | 99765.00 | 167187.67 | 159831.00 | 295504.00 | 110568.00 | 290432.00 | 370162.00 | 277570.00 | 345832.40 | 151332.00 | 249724.00 | 95260.00 | 92894.00 | 46717.00 | 415483.00 | 258724.00 | 287244.33 | 282009.00 | 408664.50 | 398770.50 | 273126.67 | 238282.00 | 117222.00 | 182475.50 | 250364.67 | 326668.00 | 192962.00 | 479959.00 | 376208.00 | 125130.00 | ||
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] | - | 23970.00 | - | 15727.00 | - | 2625.00 | - | - | - | - | - | - | - | - | 29608.00 | - | 34019.00 | 1350.00 | 1731.00 | - | - | - | - | - | - | 1460.00 | - | - | - | - | 1336.00 | - | - | - | - | 35407.00 | 112873.50 | - | - | 24547.00 | - | - | - | - | 3747.00 | - | ||
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+ | - | 219087.00 | 3831.00 | 151362.00 | 2556.00 | - | - | - | 2747.00 | 5479.50 | 6195.00 | 26441.00 | - | - | 249187.00 | 1565.00 | 335941.00 | 14946.00 | 25722.00 | 5668.00 | 3394.00 | 2185.00 | 4515.00 | - | 8410.00 | - | - | - | - | - | - | 7752.00 | - | 2336.00 | - | 313663.00 | 1242283.50 | - | - | 216056.00 | - | 1876.00 | - | - | 34378.00 | 2411.00 | ||
IBUPROFEN (CAS# 15687-27-1); (M+NA)+ | - | - | - | 6044.00 | - | - | - | - | - | - | - | - | - | - | 60647.00 | - | 12979.00 | - | 2330.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12234.00 | 11640.00 | - | - | 7177.00 | - | - | - | - | - | - | ||
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ | 5918.00 | 71136.00 | 54488.67 | 143349.67 | 67375.33 | 98982.33 | 51165.00 | 45494.00 | 26024.00 | 39223.67 | 41002.50 | 45103.33 | 151889.00 | 99761.00 | 82723.00 | 32146.00 | 118008.50 | 150840.50 | 36397.50 | 97752.00 | 29294.67 | 33520.33 | 36334.00 | 168510.00 | 130194.50 | 167035.00 | 69024.00 | 134436.00 | 18843.00 | 1719.00 | 27467.00 | 114203.33 | 27765.67 | 77262.33 | 84985.00 | 46370.50 | 33409.00 | 138694.00 | 65740.00 | 32575.50 | 69071.50 | 137225.00 | 91717.00 | 36492.00 | 76864.00 | 36448.00 | ||
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+ | - | - | - | 1813.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ | 15237.00 | 38261.00 | 19712.33 | 20469.00 | 11237.33 | 17937.67 | 13621.00 | 27045.00 | 29062.00 | 17442.33 | 20668.00 | 19369.00 | 29143.00 | 29574.00 | 13951.00 | 24731.50 | 15865.00 | 14097.00 | 19376.50 | 19562.00 | 9031.00 | 14049.33 | 15842.00 | 5244.00 | 29068.20 | 12706.00 | 12152.40 | 12860.00 | 21873.00 | 7251.00 | 19046.33 | 11524.67 | 20928.67 | 14917.67 | 23893.50 | 20450.00 | 14651.00 | 20094.00 | 10014.50 | 10506.00 | 8060.67 | 24651.00 | 9393.00 | 21770.00 | 5458.00 | 18290.00 | ||
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ | 15088.00 | 31734.00 | 18401.67 | 19555.00 | 10850.33 | 17909.67 | 16218.00 | 24932.00 | 31887.00 | 14929.00 | 17757.50 | 17605.33 | 23422.00 | 29589.00 | 13174.75 | 27216.00 | 14986.00 | 14887.00 | 19769.00 | 19104.00 | 9613.33 | 13041.33 | 12804.00 | 4365.00 | 26632.80 | 14132.00 | 11443.40 | 12523.00 | 21158.00 | 9816.00 | 18854.67 | 12421.67 | 20793.00 | 13724.67 | 22692.00 | 18870.50 | 14603.33 | 24161.00 | 9624.00 | 9294.50 | 8134.00 | 20939.00 | 11795.00 | 18640.00 | 4978.00 | 19011.50 | ||
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | 7607.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5059.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
INDOLE (CAS# 120-72-9); (2M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2022.00 | - | - | - | - | - | - | - | - | - | 2269.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1204.00 | ||
INOSINE (CAS# 58-63-9); (M+H)+ | 179041.00 | 285567.00 | 76224.00 | 94371.50 | 77956.33 | 105890.67 | 252355.00 | 157229.00 | 116303.50 | 56619.00 | 97387.00 | 38308.33 | - | 148476.00 | 79694.33 | 84903.00 | 181391.50 | 253886.00 | - | 126798.50 | 65839.67 | 54384.00 | 4123.00 | 417154.00 | 78067.00 | 101690.00 | 118411.00 | 40817.00 | 33440.00 | - | 69016.67 | 98586.00 | 19441.33 | 6974.00 | 133102.00 | 45613.00 | 44156.00 | 65960.00 | 81666.50 | 108951.50 | 95741.00 | 13497.00 | 224115.00 | 80171.50 | 6632.00 | 110147.00 | ||
INOSINE (CAS# 58-63-9); (M+NA)+ | 617072.00 | 625015.00 | 176542.67 | 164276.00 | 154070.33 | 180778.67 | 233421.00 | 232133.00 | 148821.00 | 134589.33 | 199684.50 | 86943.67 | 71516.00 | 257536.00 | 123294.25 | 135505.00 | 285318.50 | 209027.50 | 9697.00 | 230878.50 | 82264.67 | 128208.00 | 17520.00 | 544047.00 | 120861.20 | 99399.00 | 81744.00 | 82673.00 | 82594.00 | 5077.00 | 147149.67 | 87075.67 | 58496.33 | 16749.50 | 263981.00 | 119417.00 | 99695.67 | 138295.00 | 150692.00 | 188329.00 | 161218.00 | 34397.00 | 223567.00 | 188710.50 | 28033.00 | 256666.00 | ||
ISOLEUCINE (CAS# 73-32-5); (M+H)+ | 3279839.00 | 4781706.00 | 3616570.67 | 6317358.33 | 8078844.00 | 6225818.00 | 8072360.00 | 3367977.00 | 2910791.00 | 5782452.67 | 4018581.50 | 7477362.67 | 16900000.00 | 2765168.00 | 2832156.25 | 3700537.00 | 7839814.00 | 7697013.00 | 7116905.00 | 8753692.00 | 6514666.67 | 7968724.33 | 2642313.00 | 6028890.00 | 9505977.00 | 13100000.00 | 3115382.60 | 3361265.00 | 9940843.00 | 6761186.00 | 6845152.00 | 10241224.33 | 3870545.67 | 12133057.00 | 9490512.50 | 5320434.00 | 4643407.67 | 2859828.00 | 5457892.00 | 9352092.50 | 6297464.00 | 4001566.00 | 10100000.00 | 11360579.50 | 2756194.00 | 10550112.00 | ||
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ | 27678.00 | 98908.00 | 46199.00 | 37588.00 | 31973.00 | 25974.00 | - | - | 49658.50 | 39149.00 | 38734.50 | 26480.00 | - | 33285.00 | - | 35153.00 | 45676.00 | 35744.00 | 39540.00 | - | 41929.50 | 51436.00 | - | 60966.00 | - | - | 24947.50 | 43466.00 | - | 26835.00 | 61839.50 | 51678.00 | - | 25730.00 | 59095.00 | - | 35005.00 | 37954.00 | 32944.00 | 45419.00 | 46192.67 | 60794.00 | 41272.00 | - | - | 31858.00 | ||
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ | 122592.00 | 191513.00 | 200613.00 | 182120.00 | 159360.00 | 171392.67 | 107778.00 | 156767.00 | 152985.00 | 157965.00 | 193376.00 | 167500.00 | 201868.00 | 146204.00 | 174385.25 | 126897.00 | 190811.00 | 164067.75 | 141411.00 | 180276.50 | 171628.33 | 184929.67 | 108432.00 | 243936.00 | 199467.50 | 144370.00 | 153227.60 | 164443.00 | 151162.00 | 119098.00 | 187939.67 | 149456.33 | 177159.67 | 165796.67 | 208456.00 | 213203.00 | 161991.33 | 212355.00 | 133468.00 | 170902.50 | 167890.67 | 208087.00 | 154225.00 | 179644.50 | 143563.00 | 164048.50 | ||
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ | 26900.00 | 44884.00 | 44483.33 | 44558.67 | 34442.00 | 40339.00 | 25036.00 | 40913.00 | 38738.50 | 35388.50 | 43027.50 | 37256.67 | 42462.00 | 31988.00 | 42041.25 | 33149.50 | 49675.00 | 35328.50 | 30722.50 | 42038.00 | 39992.67 | 41374.33 | 23379.00 | 58955.00 | 45369.20 | 36175.00 | 35784.00 | 36262.00 | 34732.00 | 24932.00 | 44715.33 | 34057.33 | 41563.00 | 40330.00 | 51725.50 | 51044.50 | 33429.67 | 58185.00 | 30807.00 | 39810.50 | 37325.33 | 52795.00 | 35970.00 | 42694.00 | 34531.00 | 36513.50 | ||
KYNURENINE (CAS# 343-65-7); (M+H)+ | 199555.00 | 340112.00 | 213633.33 | 319114.33 | 194460.00 | 298076.00 | 373181.00 | 450115.00 | 215283.50 | 185029.67 | 193046.50 | 266467.67 | 237018.00 | 146015.00 | 193587.50 | 137534.50 | 274424.00 | 225237.75 | 164463.00 | 209855.00 | 217680.33 | 193381.33 | 172040.00 | 245650.00 | 321896.40 | 354108.00 | 213724.40 | 207740.00 | 148358.00 | 178814.00 | 283638.00 | 293478.67 | 309046.67 | 212614.00 | 230232.00 | 251280.00 | 151424.67 | 320013.00 | 193568.50 | 231228.50 | 222776.33 | 339730.00 | 240157.00 | 291599.50 | 146099.00 | 235056.00 | ||
KYNURENINE (CAS# 343-65-7); (M+NA)+ | 4986.00 | 14045.00 | 6585.00 | 9889.33 | 3644.50 | 7794.00 | 8483.00 | 12093.00 | 5459.00 | 7890.00 | 3813.00 | 9046.67 | 8972.00 | 4416.00 | 5876.25 | 3936.00 | 8101.00 | 6910.33 | - | 4637.50 | 5814.33 | 5717.33 | 6172.00 | 6937.00 | 11581.80 | 7136.00 | 6250.80 | 4200.00 | 4834.00 | 4265.00 | 8201.00 | 7877.00 | 9551.00 | 5552.67 | 8464.00 | 7690.50 | 4304.33 | 7939.00 | 3802.50 | 5684.50 | 7471.00 | 11942.00 | 7317.00 | 9767.00 | 5255.00 | 5568.00 | ||
LACTOSE (CAS# 63-42-3); (M+K)+ | 2398.00 | 1981.00 | 2072.00 | 1044.00 | - | - | - | - | - | 5554.00 | 1739.00 | - | - | - | - | - | - | - | - | - | 3692.00 | - | - | - | 1167.50 | - | - | - | - | - | 2499.00 | 5201.00 | - | 1518.00 | - | - | 17620.00 | - | 1373.00 | - | 4818.00 | - | - | - | - | 2309.00 | ||
LACTOSE (CAS# 63-42-3); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 17247.00 | 10156.00 | 11919.67 | 21567.00 | 15658.00 | 10190.00 | 20989.00 | 24219.50 | 6106.33 | 7785.00 | 5186.00 | 5991.00 | 7176.00 | 5870.00 | 10357.00 | 5508.50 | 10730.00 | 21248.00 | 8812.33 | 6484.00 | 5414.00 | 12922.00 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 12368.33 | 28870.67 | 11710.67 | 12140.33 | 4740.00 | 30120.00 | 92710.33 | 11372.00 | 9555.00 | 4211.00 | 19966.67 | 2683.00 | 5038.00 | 7232.00 | 2810.00 | 22188.00 | ||
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ | - | - | - | - | - | 1318.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 3143.00 | 1993.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1884.00 | 1322.00 | - | - | - | - | - | - | 1127.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
LANOSTEROL (CAS# 79-63-0); (M+NA)+ | - | - | 4388.00 | - | - | - | - | - | 5088.00 | 5032.00 | 6151.00 | - | 4869.00 | 1952.00 | 11646.00 | 3018.00 | - | 13364.00 | - | - | - | 1205.00 | - | 2753.00 | - | - | 2998.00 | - | - | - | - | 8910.50 | 6995.00 | - | 2898.00 | - | - | - | - | - | - | - | - | - | 9521.00 | 8324.00 | ||
LANTHIONINE (CAS# 3183-08-2); (M+NA)+ | - | 1111.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
L-ARGININE (CAS# 74-79-3); (M+H)+ | - | 57271.00 | 87369.50 | 72252.50 | 79908.00 | 134681.00 | 39249.00 | - | 66183.00 | 148997.50 | 37623.00 | 59478.50 | 113690.00 | 113368.00 | 69952.50 | 63217.00 | 86461.00 | 67054.67 | 70507.00 | 77015.50 | 72477.50 | 79077.00 | 167394.00 | 100414.00 | 98293.33 | 98113.00 | 85585.33 | 43324.00 | 63146.00 | 74042.00 | 93140.67 | 77271.33 | 115383.50 | 62945.50 | 81022.00 | 82319.00 | 75431.00 | 50147.00 | 51654.00 | 79071.50 | 100060.50 | 76151.00 | 54575.00 | 75725.00 | 64228.00 | 77412.50 | ||
L-ARGININE (CAS# 74-79-3); (M+NA)+ | 36182.00 | - | 31558.00 | 32717.00 | 27926.50 | 34049.00 | 21315.00 | - | 28193.00 | - | 24202.00 | 31264.00 | - | 28058.00 | 26598.00 | 24406.00 | 35478.00 | - | 32840.00 | 33116.50 | 29698.33 | 26991.50 | - | - | 41067.50 | 30670.00 | 32580.50 | - | 29086.00 | - | 33876.00 | 36940.67 | 27050.00 | 39039.00 | 43087.00 | 39217.00 | 28446.00 | 32101.00 | 25999.00 | 27446.00 | 25950.00 | - | 31066.00 | 37636.00 | 33856.00 | 29056.50 | ||
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ | 11027.00 | 10347.00 | 17026.33 | 11657.00 | 17593.67 | 14625.33 | 5233.00 | 7234.00 | 11780.50 | 15357.50 | - | 12009.67 | 17074.00 | 21920.00 | 21203.75 | 14343.00 | 14348.50 | 16737.00 | 12095.50 | 12542.50 | 22398.67 | 17686.00 | 17583.00 | 16512.00 | 12784.00 | 15577.00 | 11438.40 | 19559.00 | 11535.00 | 18506.00 | 13898.33 | 9162.00 | 15249.67 | 12742.67 | 12719.00 | 16534.50 | 18113.33 | 9264.00 | 10549.50 | 10776.00 | 14255.67 | 11343.00 | - | 18788.00 | 8209.00 | 13219.00 | ||
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ | 3227.00 | 8278.00 | 29863.33 | 12777.67 | 6990.67 | 7358.67 | 19136.00 | 63725.00 | 17024.00 | 34218.67 | 12794.50 | 5573.67 | 25054.00 | 21163.00 | 8544.00 | 48192.50 | 13673.50 | 34469.25 | 3796.50 | 14793.50 | 14887.67 | 8030.00 | 2812.00 | 24337.00 | 18142.60 | 52518.00 | 16934.40 | 4800.00 | 37780.00 | 8070.00 | 14611.00 | 13517.67 | 24004.33 | 11743.33 | 20587.50 | 72705.50 | 15828.67 | 68551.00 | 11217.50 | 8011.50 | 423765.67 | 22010.00 | 5098.00 | 71291.00 | 10658.00 | 13920.50 | ||
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+ | - | - | 28057.67 | 7798.50 | 24710.00 | 12033.33 | - | 23097.00 | 6924.00 | 19337.50 | 25567.00 | 24865.00 | 31936.00 | 5127.00 | 17504.67 | 16732.00 | 3578.00 | 40940.67 | 43318.00 | 50354.00 | 18647.67 | 19742.00 | 14628.00 | 6106.00 | 14424.67 | - | 13634.50 | - | 38225.00 | 10101.00 | 13476.33 | 18799.00 | 30795.33 | 17802.00 | 11047.50 | 23426.00 | 2907.00 | 4185.00 | 4000.00 | 27054.00 | 132324.50 | - | - | 5042.00 | 15095.00 | 13847.50 | ||
L-CARNITINE (CAS# 541-15-1); (M+H)+ | 624944.00 | 1290707.00 | - | 912018.50 | 343613.00 | 576705.33 | 253878.00 | 686745.00 | 703046.00 | 695505.50 | 857386.00 | 941503.50 | 1250066.00 | 2100961.00 | 692095.00 | 486908.50 | 588087.00 | 975263.75 | 366999.50 | 1640260.00 | 858638.67 | 1102969.33 | 818482.00 | 476733.00 | 947618.25 | 623282.00 | 786756.40 | 875680.00 | 298375.00 | 236524.00 | 803401.33 | 1097197.00 | 701735.50 | 1157158.00 | 1094668.00 | 1455345.50 | 525524.00 | 374647.00 | 853259.00 | 616395.00 | 1088101.00 | 713935.00 | - | 1405076.50 | 699292.00 | - | ||
LEUCINE (CAS# 328-39-2); (M+H)+ | 3279839.00 | 11800000.00 | 10462497.67 | 11186596.33 | 9177962.00 | 10717031.33 | 8072360.00 | 7588158.00 | 5374309.50 | 9466193.33 | 7386475.50 | 10079988.00 | 17000000.00 | 6931950.00 | 7480222.25 | 7992915.00 | 11350000.00 | 8965164.00 | 7116905.00 | 11175844.00 | 9816649.67 | 10733865.33 | 6915874.00 | 13800000.00 | 13629369.20 | 13100000.00 | 8101742.00 | 3362125.00 | 9940843.00 | 6761186.00 | 12233333.33 | 11717183.00 | 9874538.33 | 12133057.00 | 13100000.00 | 14350000.00 | 7269850.33 | 7456803.00 | 5458482.00 | 9353622.50 | 10131573.67 | 11100000.00 | 10100000.00 | 13173407.50 | 6974154.00 | 10550112.00 | ||
LEUCINE (CAS# 328-39-2); (M+NA)+ | 27678.00 | 98908.00 | 46199.00 | 37588.00 | 31973.00 | 25974.00 | - | - | 49658.50 | 39149.00 | 46064.00 | 26480.00 | - | 33285.00 | - | 35153.00 | 45676.00 | 35744.00 | 39540.00 | - | 41929.50 | 51436.00 | - | 60966.00 | - | - | 24947.50 | 43466.00 | - | 26835.00 | 61839.50 | 51678.00 | - | 24761.00 | 59095.00 | - | 35005.00 | 37954.00 | 32944.00 | 45419.00 | 46192.67 | 60794.00 | 41272.00 | - | - | 31858.00 | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ | 5419.00 | - | - | 29637.00 | 2352.00 | 53373.00 | - | - | - | - | - | 32469.50 | 4778.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 7744.00 | - | - | 117799.00 | - | - | - | - | - | 3303.00 | 7060.00 | - | 2058.00 | 1582.00 | 2666.00 | - | - | - | - | - | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1942.00 | - | - | - | 6392.00 | - | 1411.00 | 2512.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 15961.00 | 1759.00 | 1020.00 | - | - | - | - | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ | 63893.00 | 72840.00 | 37257.33 | 65285.00 | 23106.67 | 68392.67 | 19320.00 | 48171.00 | 43674.50 | 71908.50 | 55378.00 | 60492.00 | 46870.00 | 32047.00 | 45665.67 | 10011.00 | 38699.00 | 26375.25 | 34981.50 | 50859.00 | 19252.50 | 45062.00 | 50704.00 | 9255.00 | 54708.20 | 26839.00 | 49961.00 | 33160.00 | 6108.00 | 26065.00 | 83138.00 | 68590.67 | 43993.33 | 85484.67 | 39622.00 | 53392.00 | 32251.00 | 80798.00 | 30957.50 | 27128.50 | 37457.67 | - | 34298.00 | 59421.00 | 65234.00 | 36671.00 | ||
LEVORPHANOL (CAS# 77-07-6); (M+H)+ | - | - | - | - | 8791.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3258.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O] | - | 12655.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O] | - | 1134.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
L-HISTIDINE (CAS# 71-00-1); (M+H)+ | 5592.00 | 956509.00 | 13113.00 | 61861.00 | 8544.67 | 33086.33 | 3217.00 | 151218.00 | 7346.00 | 35532.00 | 22416.00 | 8159.67 | 166491.00 | 10704.00 | 12442.00 | 14884.00 | 9606.00 | 69110.00 | 8084.00 | 27936.00 | 12374.33 | 36188.67 | 14900.00 | 3310.00 | 13017.00 | 10929.00 | 64309.20 | 9994.00 | 4914.00 | 7996.00 | 10233.00 | 163764.33 | 25268.67 | 36274.67 | 12262.50 | 13988.00 | 10538.00 | 4516.00 | 5299.00 | 9875.00 | 9139.00 | 9221.00 | - | 240554.00 | 7051.00 | 42207.50 | ||
L-HISTIDINE (CAS# 71-00-1); (M+NA)+ | 5184.00 | - | 6282.00 | 5227.00 | 4497.33 | - | 2763.00 | - | 2793.00 | 5894.50 | 9157.00 | 3679.00 | 5698.00 | 5162.00 | 6287.33 | 3626.00 | 6337.00 | 4213.33 | 3977.50 | 4688.00 | 5175.33 | 3568.00 | 6401.00 | 7353.00 | 6312.33 | - | - | 4667.00 | - | 3031.00 | 4925.50 | 3500.00 | 5265.00 | 4520.67 | 6370.00 | 6889.00 | 5392.00 | - | 3170.50 | 5253.50 | 5426.33 | - | - | 20943.50 | 4689.00 | 4228.00 | ||
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 1121.00 | - | - | - | - | 1801.00 | - | - | - | - | - | - | - | - | - | 2034.00 | - | - | - | - | 1143.00 | - | - | - | - | 1079.00 | - | 1795.00 | 1015.00 | 1195.00 | - | - | - | - | - | ||
LIPOAMIDE (CAS# 940-69-2); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1372.00 | - | 1754.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ | - | 10663.00 | 19662.00 | 17270.00 | 10945.50 | 14754.00 | - | - | 19041.00 | 4879.00 | 14920.00 | 50270.67 | - | 21289.00 | 13747.00 | 8343.00 | 6995.00 | 7452.00 | 11470.00 | - | 2608.00 | 10492.00 | 9440.00 | - | 7092.00 | - | 8474.00 | - | - | 32417.00 | 10000.00 | 6481.00 | 12736.00 | 3413.00 | 24815.00 | 14010.00 | 13768.00 | 28670.00 | 7724.00 | 7345.00 | - | - | 5407.00 | - | - | 10775.00 | ||
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2019.00 | - | - | 5856.00 | - | - | - | - | - | - | - | - | - | - | - | - | 1450.00 | - | - | 6226.00 | - | - | - | - | - | - | - | - | - | - | - | 3238.00 | ||
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)+ | - | - | - | - | - | - | - | 187348.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 270671.00 | - | - | - | - | - | 716628.00 | - | - | - | - | - | - | - | - | - | 399805.00 | - | - | - | - | - | ||
LOPERAMIDE (CAS# 34552-83-5); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 7715.00 | - | 1063.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2956.00 | 2159.00 | - | - | - | - | ||
LORATADINE (CAS# 79794-75-5); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2439.00 | - | - | - | 4050.00 | - | - | - | - | - | - | ||
L-ORNITHINE (CAS# 70-26-8); (M+H)+ | 5758.00 | 10787.00 | 9980.00 | 15525.00 | 8487.67 | 5784.67 | 5717.00 | 7689.00 | 5658.50 | 8223.67 | 10027.50 | 6677.00 | 13910.00 | 8132.00 | 7068.00 | 7538.00 | 8309.50 | 4350.25 | 4834.00 | 5556.50 | 6530.00 | 7273.67 | 9770.00 | 13570.00 | 14135.00 | 8944.00 | 9539.20 | 5091.00 | 3497.00 | 4941.00 | 10148.67 | 7277.67 | 10703.33 | 9693.00 | 11994.00 | 19338.50 | 6128.33 | 4218.00 | 5581.50 | 9087.50 | 8409.67 | 9294.00 | 4248.00 | 9578.00 | 4601.00 | 4820.00 | ||
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ | 550236.00 | 789580.00 | 792099.33 | 763181.00 | 641535.33 | 692046.67 | 449775.00 | 608343.00 | 569773.00 | 616768.67 | 811653.50 | 631735.67 | 890398.00 | 628847.00 | 712221.25 | 529232.50 | 766845.00 | 673000.25 | 625079.00 | 670838.00 | 765093.33 | 739371.00 | 437380.00 | 1064658.00 | 794534.60 | 629753.00 | 629310.00 | 633331.00 | 646701.00 | 482555.00 | 783217.33 | 610399.00 | 712482.33 | 655214.67 | 857908.50 | 936926.50 | 665110.67 | 796872.00 | 514847.00 | 651120.50 | 698645.00 | 741757.00 | 615410.00 | 754038.00 | 496565.00 | 601660.50 | ||
LUMICHROME (CAS# 1086-80-2); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 36138.00 | - | - | - | 35548.00 | - | - | - | - | - | - | - | ||
LUMICHROME (CAS# 1086-80-2); (M+NA)+ | 9467.00 | - | 5561.00 | - | 4308.00 | 1627.50 | 2708.00 | - | - | 2522.00 | 6517.00 | 2336.00 | - | - | 2625.00 | 5679.50 | - | 4196.00 | 15226.00 | 2442.00 | 1841.00 | 1459.00 | - | - | 17790.00 | 1166.00 | 3704.00 | - | 1708.00 | 1993.00 | 2853.00 | 1425.00 | 2212.50 | 10871.50 | 194908.00 | 4023.00 | 6082.33 | - | 244504.00 | 1989.00 | - | 2471.00 | - | 6686.00 | 1693.00 | 1635.00 | ||
LYSINE (CAS# 56-87-1); (M+H)+ | 24310.00 | 37667.00 | 33400.33 | 39871.00 | 25876.00 | 37255.67 | 18363.00 | 24740.00 | 21040.50 | 42202.00 | 41396.50 | 37288.33 | 42918.00 | 25608.00 | 33506.75 | 33202.50 | 29589.50 | 25304.75 | 24377.00 | 27484.50 | 33070.00 | 37358.67 | 39786.00 | 51175.00 | 45599.20 | 39608.00 | 34298.40 | 24502.00 | 18024.00 | 27560.00 | 48052.67 | 29060.00 | 40542.33 | 40831.00 | 44320.00 | 48008.50 | 25726.33 | 25723.00 | 21404.50 | 33405.50 | 31503.00 | 37402.00 | 25563.00 | 47265.50 | 30412.00 | 27291.00 | ||
LYSINE (CAS# 56-87-1); (M+NA)+ | - | 3650.00 | 4589.00 | 5743.00 | 4018.00 | - | - | - | 4948.00 | 8049.00 | 7096.50 | 7392.00 | 6860.00 | 4167.00 | 6757.50 | - | 3239.00 | 4451.00 | 4789.00 | 2858.50 | 4464.67 | 3742.00 | 7156.00 | - | 7458.00 | 7128.00 | 6924.00 | - | 4216.00 | 3971.00 | 10291.00 | 5640.33 | 7788.00 | 8660.00 | - | 2976.00 | 3643.00 | 5147.00 | - | - | 4480.00 | 2323.00 | 4275.00 | - | 5378.00 | - | ||
MALTOSE (CAS# 69-79-4); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 16695.67 | 10454.00 | 12257.67 | 21567.00 | 15658.00 | 10190.00 | 20989.00 | 24219.50 | 6106.33 | 7785.00 | 5186.00 | 6379.50 | 7176.00 | 5870.00 | 10861.67 | 5508.50 | 10730.00 | 21603.33 | 8812.33 | 6484.00 | 5414.00 | 12333.00 | 5457.00 | 5988.00 | 7527.00 | 5218.00 | 16018.00 | 12591.67 | 29206.67 | 11710.67 | 12140.33 | 4740.00 | 30120.00 | 92710.33 | 11372.00 | 9555.00 | 3619.50 | 19966.67 | 3305.00 | 5690.00 | 7232.00 | 2810.00 | 22188.00 | ||
MANDELIC ACID (CAS# 611-71-2); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | 2512.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2068.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
MANNITOL (CAS# 69-65-8); (M+NA)+ | - | - | - | 14179.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 8731.00 | - | - | - | - | - | - | - | 22500.00 | - | - | - | - | - | - | - | 2894.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1102.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
MELANIN (CAS# 8049-97-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1639.00 | - | - | - | - | - | - | - | - | - | - | 1029.00 | - | - | - | - | - | - | - | - | ||
MELATONIN (CAS# 73-31-4); (M+NA)+ | - | 1444.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1559.00 | - | - | - | - | - | - | - | - | - | - | - | - | 1116.00 | - | - | - | - | - | - | ||
MELIBIOSE (CAS# 585-99-9); (M+K)+ | 2398.00 | 1981.00 | 2072.00 | 1044.00 | - | - | - | - | - | 5554.00 | 1739.00 | - | - | - | - | - | - | - | - | - | 3692.00 | - | - | - | 1307.00 | - | - | - | - | - | 2499.00 | 5201.00 | - | 1518.00 | - | - | 17620.00 | - | 1373.00 | - | 4818.00 | - | - | - | - | 2309.00 | ||
MELIBIOSE (CAS# 585-99-9); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 17544.67 | 9818.50 | 12257.67 | 21567.00 | 15658.00 | 10190.00 | 20774.67 | 24219.50 | 5933.00 | 7785.00 | 5186.00 | 6032.50 | 7176.00 | 5870.00 | 10543.33 | 5508.50 | 10730.00 | 20989.33 | 8812.33 | 6484.00 | 5414.00 | 13077.20 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 12591.67 | 29206.67 | 11353.67 | 12140.33 | 4740.00 | 30120.00 | 92710.33 | 11372.00 | 9555.00 | 4488.00 | 19966.67 | 3305.00 | 5690.00 | 7232.00 | 2810.00 | 22188.00 | ||
METHIONINE (CAS# 63-68-3); (M+H)+ | 1004097.00 | 916336.00 | 701616.33 | 886038.33 | 642163.67 | 897702.00 | 672907.00 | 627937.00 | 746199.50 | 742689.33 | 1076708.00 | 1009035.00 | 862330.00 | 502753.00 | 686919.00 | 858860.50 | 954599.50 | 744204.25 | 820083.00 | 885396.00 | 903131.33 | 901426.33 | 835808.00 | 1110431.00 | 925400.40 | 991711.00 | 743829.20 | 870925.00 | 532572.00 | 572623.00 | 953655.67 | 1063403.67 | 898329.33 | 1133271.00 | 966824.00 | 1138671.00 | 601960.67 | 876625.00 | 736159.00 | 875985.50 | 886808.00 | 856225.00 | 891590.00 | 856812.00 | 625165.00 | 892838.50 | ||
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ | - | 10424.00 | 14059.00 | 3741.00 | 5917.00 | 7892.00 | - | 1590.00 | - | 11321.67 | 1920.00 | 8626.00 | - | - | 9142.25 | 3065.00 | - | 4677.75 | 5519.00 | - | 43178.00 | 7125.00 | 5521.00 | - | 16772.00 | - | 17791.00 | 3341.00 | 5989.00 | - | 5436.67 | 5295.50 | 5146.50 | 3606.50 | 6921.50 | 3369.50 | 2102.00 | 44704.00 | - | 2077.00 | - | 12757.00 | - | - | - | - | ||
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+ | - | - | 3421.00 | 3425.00 | 1512.00 | 6091.00 | 7016.00 | 12606.00 | 4396.00 | - | - | 2793.00 | - | - | 3263.00 | - | 1417.00 | 3301.50 | 4505.00 | 5201.00 | 1060.00 | - | - | - | - | 1373.00 | 2244.00 | - | 4380.00 | 2765.00 | 5573.00 | - | 3855.00 | - | - | - | 3439.00 | - | - | 1956.00 | - | - | - | 2557.00 | 1099.00 | 5609.00 | ||
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ | 21604.00 | 52503.00 | 15331.33 | 20979.50 | 11170.00 | 31664.00 | 44842.00 | 58686.00 | 27309.50 | 12269.33 | 15769.00 | 17010.00 | 19759.00 | 27012.00 | 9359.50 | 17877.50 | 10456.00 | 16734.50 | 23079.00 | 18827.50 | 10158.33 | 17753.33 | 13221.00 | 11984.00 | 27166.75 | 10148.00 | 10284.20 | 12162.00 | 22187.00 | 19669.00 | 24650.67 | 10897.33 | 28676.67 | 14935.00 | 14730.50 | 10845.00 | 9132.67 | 13916.00 | 9807.50 | 8666.00 | 8479.00 | 10131.00 | 15769.00 | 14693.00 | 7811.00 | 27632.50 | ||
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ | 52301.00 | 71308.00 | 57480.00 | 60558.33 | 49093.33 | 62258.00 | 42095.00 | 52269.00 | 51046.50 | 61246.50 | 55090.50 | 66294.67 | 61453.00 | 43699.00 | 58200.50 | 50065.50 | 61507.50 | 39652.00 | 44787.50 | 57698.50 | 38131.00 | 61139.33 | 67701.00 | 83035.00 | 66815.20 | 26171.00 | 49565.20 | 55794.00 | 51373.00 | 41925.00 | 67593.00 | 39610.33 | 59227.67 | 50080.33 | 61241.50 | 73551.00 | 43489.33 | 38105.00 | 44855.50 | 48583.00 | 50234.33 | 62105.00 | 32068.00 | 69766.00 | 53443.00 | 37018.50 | ||
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ | 7146.00 | 54272.00 | - | 7537.00 | - | 19947.00 | - | - | 5966.00 | 9420.50 | - | 6172.00 | - | - | 4156.50 | 19673.00 | 2699.00 | - | 12376.00 | - | - | - | 15271.00 | 7113.00 | 13517.33 | 6054.00 | 2084.00 | - | - | - | 4940.00 | 8358.50 | 6740.00 | 3313.00 | - | 2173.00 | 15000.00 | 3893.00 | - | - | 6514.00 | - | - | - | - | - | ||
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O] | - | - | - | - | - | - | - | - | - | 19138.00 | - | - | - | - | - | 13682.00 | - | - | - | - | - | - | - | - | - | - | 13864.00 | - | - | - | - | - | - | - | - | - | - | 19283.00 | - | - | - | - | - | - | - | - | ||
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2958.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2215.00 | - | - | - | - | - | - | - | - | - | - | ||
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1297.00 | ||
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3673.00 | - | - | - | - | - | - | - | 4474.00 | 2488.00 | - | 1809.00 | ||
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ | - | 9443.00 | 10688.00 | 10414.00 | 3806.00 | 5682.67 | 6171.00 | 9487.00 | 7705.00 | 7029.50 | 9570.00 | 7014.00 | 8078.00 | 5045.00 | 6595.25 | - | 9779.00 | 6080.00 | 11561.00 | 9222.50 | 10124.00 | 8410.00 | 3503.00 | 22951.00 | 13303.00 | - | 12131.75 | - | 4131.00 | - | 7365.33 | - | 14533.50 | 9356.33 | 11028.50 | 12731.00 | 10710.00 | 10625.00 | 3962.00 | - | 12703.00 | 9610.00 | - | 6218.00 | - | 6636.50 | ||
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ | 381231.00 | 1205895.00 | 1244815.50 | 309375.33 | 434167.50 | 147868.00 | 85210.00 | - | 187859.00 | 1207836.67 | 1064805.50 | 627537.50 | 705618.00 | 991796.00 | 1035199.75 | 438808.00 | 989574.00 | 421649.50 | 575235.00 | 179330.00 | 1028711.00 | 548398.00 | - | 1645617.00 | 920065.00 | 145521.00 | 514516.20 | 99054.00 | 765682.00 | 552896.00 | 594763.33 | 969748.50 | 634322.00 | 555160.00 | 548001.00 | 1297888.00 | 581555.00 | 195717.00 | 170992.50 | 468157.50 | 762732.00 | 1061766.00 | 888464.00 | 728358.50 | 164294.00 | 1138286.00 | ||
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+ | - | - | - | - | - | - | - | - | 2814.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | 1768.00 | - | - | - | - | - | 7661.00 | - | - | - | - | - | - | - | - | - | 3072.00 | - | - | - | - | - | - | 1805.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ | - | - | 1215.00 | - | - | - | - | - | 3236.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1226.00 | - | - | - | - | - | - | - | - | 1038.00 | - | - | - | - | - | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1894.00 | - | - | 3077.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2478.00 | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ | - | 7597.00 | 2449.00 | - | - | - | - | 1726.00 | - | - | - | - | - | - | - | - | - | - | - | 1424.00 | - | - | 2160.00 | - | 2789.00 | - | 3579.50 | - | - | - | - | 1696.00 | - | - | - | - | - | - | - | 1088.00 | 1831.00 | - | - | - | - | - | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ | - | - | - | - | - | - | - | 1668.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1538.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ | 3759.00 | - | 2579.50 | 1669.00 | 1119.00 | 2725.67 | 4868.00 | 7217.00 | 2448.50 | 1782.33 | 2639.00 | 3177.00 | - | - | 2726.50 | - | - | 1979.67 | - | 2806.50 | - | 3740.00 | 1161.00 | 3248.00 | 4344.00 | - | 3616.00 | - | - | - | 2466.67 | - | 3003.00 | - | 2859.00 | 2296.00 | - | 3146.00 | 1776.50 | 1624.00 | - | 2602.00 | 1491.00 | 2366.00 | 1985.00 | 2560.00 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ | - | - | 8133.00 | 2327.00 | - | 1110.00 | - | - | - | 5639.00 | - | 2087.00 | 3543.00 | 2117.00 | 1332.00 | - | 2426.00 | - | 21467.00 | 1020.00 | 4071.00 | 3874.00 | - | - | 2180.33 | - | 6244.67 | - | - | - | 1665.00 | - | 1951.50 | - | - | 1613.50 | 3357.50 | 1199.00 | - | - | - | - | 2708.00 | 3998.00 | 1112.00 | 2333.00 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] | - | 120219.00 | 9727.00 | 120472.00 | 32563.00 | 50268.00 | 117896.00 | 4402.00 | 94660.00 | 23494.50 | 82739.50 | 5744.67 | - | 18588.00 | 13050.67 | 9219.00 | 19998.00 | 102307.75 | 4111.00 | 21321.00 | 157775.50 | 78508.67 | 31616.00 | - | 129336.40 | 319594.00 | 167971.20 | 16987.00 | 5582.00 | 7731.00 | 18941.33 | 95122.67 | 47847.00 | 121772.33 | 72895.50 | 87752.00 | 19333.50 | 176351.00 | 108415.00 | 240230.00 | 5268.00 | - | 145177.00 | 45154.50 | - | 206507.00 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ | - | 1420.00 | - | - | - | - | - | - | - | - | - | - | - | 5897.00 | 3298.00 | - | - | - | - | - | - | - | - | - | - | - | 1123.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+ | - | - | - | - | - | - | - | - | 2814.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | 1768.00 | - | - | - | - | - | 7661.00 | - | - | - | - | - | - | - | - | - | 3072.00 | - | - | - | - | - | - | 1805.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1281.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+ | - | - | - | - | - | - | - | - | 1801.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | 1768.00 | - | - | - | - | - | 7661.00 | - | - | - | - | - | - | - | - | - | 3072.00 | - | - | - | - | - | - | 1805.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+ | - | - | - | - | - | - | - | - | - | 6564.00 | 1177.00 | - | - | - | 3240.00 | - | - | 11491.00 | 2039.00 | - | - | - | - | - | - | - | - | - | - | - | 6516.00 | - | - | - | - | - | - | - | - | - | - | 25656.00 | - | - | - | - | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+ | - | - | - | - | - | - | 1942.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3754.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1569.00 | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | 5145.00 | - | - | - | - | - | - | - | - | 2318.00 | - | - | - | - | - | 1236.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3614.00 | - | - | 6074.00 | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ | - | - | 53361.00 | 51194.67 | 33189.00 | 53186.33 | 36494.00 | 28490.00 | 25174.00 | 52673.33 | 41242.50 | 36931.67 | 51236.00 | 30454.00 | 43950.50 | 28658.50 | 47782.50 | 30124.00 | 27491.00 | 38284.00 | 35227.33 | 39445.00 | 49097.00 | 61421.00 | 53174.00 | 25116.00 | 35926.60 | 27561.00 | 32089.00 | 17149.00 | 56953.67 | 31291.33 | 32744.00 | 37259.00 | 58716.00 | 56564.50 | 32961.00 | 34707.00 | 23362.50 | 34842.00 | 37037.00 | 65092.00 | 26191.00 | 50642.00 | 33417.00 | 33369.50 | ||
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2566.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ | - | - | - | 2571.00 | 1291.00 | - | - | - | - | 3813.00 | 2798.00 | 3294.00 | - | 1363.00 | 3935.00 | - | - | 3445.00 | - | - | - | 3486.00 | 4014.00 | - | 2953.00 | - | 2428.00 | - | - | - | 3527.00 | - | 1855.00 | - | - | 2271.00 | 1366.00 | - | - | 2145.00 | - | - | - | 1684.00 | - | - | ||
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ | - | - | - | 4365.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ | - | - | 2765.00 | 2389.00 | - | - | - | - | - | 2528.00 | 3381.00 | - | 5032.00 | - | 2299.00 | 1751.00 | 4093.00 | - | 1714.00 | - | - | - | 1434.00 | 5009.00 | 3573.50 | 2160.00 | - | 2409.00 | - | 2215.00 | 2626.00 | 3271.00 | 2267.67 | 1397.50 | 3322.00 | 2700.00 | 2040.67 | 1201.00 | - | - | 3097.00 | - | - | 4241.00 | - | 1782.00 | ||
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+ | - | - | 2104.00 | - | - | - | - | - | - | 6030.00 | - | - | - | - | - | - | - | 2342.00 | - | - | - | - | 4194.00 | - | 11861.00 | - | - | - | - | - | - | - | 9954.00 | - | - | - | - | - | - | - | 5850.00 | - | - | - | - | - | ||
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ | 5373.00 | 4439.00 | 2039.00 | 1807.00 | 2091.00 | 1282.00 | 1465.00 | 2105.00 | - | 2170.00 | 1199.00 | 1406.00 | 2110.00 | - | 1965.00 | - | 2423.00 | - | 1399.00 | - | 3454.50 | - | 1393.00 | - | 2454.67 | - | 1124.00 | - | - | - | 3600.00 | 1496.00 | 3390.00 | 1549.00 | 1370.50 | - | 1529.00 | 1433.00 | 1519.00 | 1924.00 | 1413.00 | 1394.00 | - | 1982.00 | - | 1496.50 | ||
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ | - | - | - | - | 1679.00 | - | 3016.00 | - | - | - | - | 1028.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ | 22069.00 | - | 6852.00 | 10622.33 | 10342.67 | 10497.00 | 9769.00 | 16190.00 | 23616.50 | 6783.50 | 33995.00 | 11525.67 | 7308.00 | 5632.00 | 8880.33 | 1731.00 | 10289.00 | 8354.75 | 5328.00 | 9703.00 | 12178.00 | 11390.50 | 18505.00 | - | 11305.60 | 12731.00 | 10797.25 | - | - | - | 7929.00 | 11457.00 | 9079.67 | 13258.33 | 10214.00 | 14713.00 | 7468.50 | 29222.00 | 3616.00 | 12256.50 | 11208.33 | 14697.00 | 10479.00 | 12467.00 | 7151.00 | 14917.00 | ||
NAPROXEN (CAS# 22204-53-1); (M+H)+ | 358081.00 | 76987.00 | - | - | - | - | - | - | - | 1058638.00 | - | - | - | - | - | - | 3199.00 | - | - | - | 125359.00 | 683983.00 | - | - | 1274578.00 | - | - | - | - | - | 1389.00 | - | - | - | 302098.00 | 102131.00 | - | 35479.00 | - | - | 279646.00 | - | - | - | - | - | ||
NAPROXEN (CAS# 22204-53-1); (M+NA)+ | 594365.00 | 118689.00 | - | - | - | - | - | - | - | 1359571.00 | - | - | - | - | - | - | - | - | - | - | 237555.00 | 1104384.00 | - | - | 1734186.00 | - | - | - | - | - | - | - | - | - | 509521.00 | 152982.00 | - | 63926.00 | - | - | 501979.00 | - | - | - | - | - | ||
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 7006.00 | - | - | - | 15092.00 | - | - | - | - | - | ||
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+NA)+ | - | - | - | 2911.00 | - | - | - | - | 2238.00 | - | 1229.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1516.00 | - | 2037.00 | - | - | 26869.00 | - | - | - | 52760.00 | - | - | - | - | - | ||
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ | - | - | 1587.00 | 15239.00 | 1797.00 | 3407.00 | - | - | - | 1766.00 | 1751.00 | 4934.00 | 1099.00 | - | - | - | 7386.00 | 13257.67 | - | 1433.50 | 7762.00 | 1636.00 | - | 2188.00 | 2097.75 | 8232.00 | 3170.50 | - | - | 4607.00 | - | 17217.50 | - | 8195.00 | 1531.00 | 2312.00 | 1492.00 | 6241.00 | - | 2078.00 | 20527.00 | 1589.00 | 10187.00 | - | - | 7390.00 | ||
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ | - | - | 2152.00 | 25104.00 | 1727.00 | 10007.00 | 14516.00 | - | 1843.00 | 3378.00 | 2557.00 | 14846.50 | - | - | 1957.67 | 2125.00 | 9085.00 | 29156.50 | 1213.00 | 2265.00 | 14665.33 | 1538.00 | - | - | 2317.00 | 40941.00 | 17892.50 | 2911.00 | - | 5754.00 | 1647.00 | 31461.50 | 2076.00 | 13724.67 | 2373.00 | 2785.50 | - | 24054.00 | 1272.00 | 1263.00 | 15674.00 | 1910.00 | 17647.00 | 2318.00 | - | 46734.00 | ||
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+ | - | - | - | 8216.00 | - | - | - | - | - | - | - | - | - | - | 2804.00 | - | 7482.00 | - | - | - | 2218.00 | - | 1603.00 | - | 19390.00 | - | - | - | - | - | - | 2050.00 | - | - | - | - | 3502.00 | - | - | - | 6691.50 | 5726.00 | - | - | - | - | ||
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ | - | 7394.00 | 12007.00 | 15476.33 | 10339.00 | 20514.67 | - | - | 12795.00 | 6731.00 | 19255.00 | 9797.33 | 6966.00 | 6193.00 | 10006.33 | 10702.50 | 12898.00 | 8767.67 | 11830.00 | - | 13537.67 | 14484.67 | - | 12750.00 | 10630.80 | - | 12715.00 | 18399.00 | 3428.00 | 6379.00 | 7122.00 | 11473.00 | 8870.67 | 13279.00 | 13915.00 | 9882.00 | 8580.00 | 8779.00 | 10232.00 | 7373.50 | 15166.00 | 27437.00 | 11856.00 | 13754.50 | 12648.00 | 11571.00 | ||
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1442.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
NICOTINE (CAS# 54-11-5); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 37406.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 58310.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ | - | - | 8133.00 | 2327.00 | - | - | - | - | - | 3009.00 | - | 1401.00 | 3543.00 | 2117.00 | 1332.00 | - | 2426.00 | - | 21467.00 | 1020.00 | 3852.33 | 3874.00 | - | - | 2180.33 | - | 2584.33 | - | - | - | 1508.00 | - | 2838.00 | - | - | 2137.00 | 3357.50 | 1199.00 | - | - | - | - | 2708.00 | 2902.00 | 1112.00 | 1959.50 | ||
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ | - | 1420.00 | 1706.00 | - | - | - | - | - | - | - | - | - | - | 5897.00 | 3298.00 | - | - | - | - | - | - | - | - | - | - | - | 1123.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O] | - | - | - | - | - | - | 7513.00 | - | - | - | - | 4338.00 | 2754.00 | - | - | - | - | - | - | - | - | - | - | 9477.00 | 9263.50 | - | 17650.00 | - | - | - | 1268.00 | 6973.00 | - | - | - | - | - | 8859.00 | - | - | - | - | - | - | - | - | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+ | 17903.00 | - | - | - | 9685.00 | 13742.00 | 1116.00 | - | 6086.00 | 61220.00 | - | - | - | - | - | 48741.00 | - | 16985.50 | 31217.00 | - | 6203.00 | - | - | - | 86632.00 | 1807.00 | 1953.00 | - | - | - | - | 14957.00 | 10175.00 | 14177.00 | - | - | 7295.50 | - | 75362.00 | - | 15147.00 | - | - | 14513.00 | - | 4138.00 | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O] | - | - | - | - | 2925.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9492.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1734.00 | - | - | ||
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ | - | 76660.00 | 128293.00 | 162876.50 | - | 97247.50 | 24578.00 | - | - | 256894.00 | - | 67799.00 | - | - | 224487.00 | - | 51079.00 | 21867.50 | - | - | 45998.00 | 3803.00 | - | - | 65262.00 | - | - | - | - | - | - | 80668.00 | 143996.00 | 58005.00 | - | - | - | - | 137318.00 | - | 59108.00 | - | - | - | - | - | ||
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1130.00 | - | - | - | - | - | - | - | - | - | ||
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1589.00 | - | - | - | - | - | 6978.00 | 8383.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1834.00 | - | - | - | - | - | ||
NONANOATE (CAS# 112-05-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1309.00 | - | - | - | - | - | - | - | - | - | - | ||
NORADRENALINE (CAS# 51-41-2); (M+H)+ | - | - | 1548.00 | 4253.00 | - | - | - | - | 1006.00 | - | - | - | 2003.00 | - | - | - | - | - | - | - | - | 3130.00 | 1309.00 | 3793.00 | - | - | - | - | - | - | 1157.00 | 1015.00 | - | - | - | - | - | - | - | - | 1012.00 | - | - | - | - | - | ||
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] | - | - | 1893.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2377.00 | - | - | - | - | - | - | - | ||
NORLEUCINE (CAS# 327-57-1); (M+H)+ | 7600685.00 | 11800000.00 | 10461580.33 | 11186596.33 | 9177962.00 | 10717031.33 | 8072360.00 | 7588158.00 | 7433856.00 | 9466891.00 | 9578543.50 | 10079988.00 | 17000000.00 | 6929195.00 | 7478897.25 | 7990614.00 | 11350000.00 | 8965164.00 | 9471680.00 | 11175844.00 | 9816197.67 | 10732512.33 | 6915874.00 | 13800000.00 | 13609369.20 | 13100000.00 | 8101742.00 | 7350112.00 | 9940843.00 | 6761186.00 | 12233333.33 | 11716538.33 | 9873091.00 | 13431107.00 | 13100000.00 | 14350000.00 | 7269850.33 | 7456803.00 | 7233102.50 | 11284132.50 | 10132235.00 | 11100000.00 | 10100000.00 | 13173407.50 | 6974154.00 | 10550112.00 | ||
NORMETANEPHRINE (CAS# 0); (M+H)+ | 2291.00 | 2669.00 | 2897.00 | 1316.00 | - | 2314.67 | 2057.00 | 2124.00 | - | 1975.00 | - | 2659.00 | 2339.00 | - | 1121.00 | - | 5079.00 | 1224.00 | 2041.00 | 2083.00 | 1989.00 | 1147.00 | - | - | 1293.50 | 1879.00 | - | 2150.00 | 2031.00 | 1735.00 | 2645.00 | 2136.67 | 1459.00 | 1935.00 | - | 3539.00 | 1479.00 | - | 1691.00 | - | 1228.00 | - | 1859.00 | 1842.50 | - | 1974.50 | ||
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] | 304270.00 | 748901.00 | 639863.67 | 637911.00 | 450042.00 | 590607.00 | 319235.00 | 485347.00 | 399825.50 | 699370.67 | 748433.00 | 455448.67 | 739838.00 | 447156.00 | 546330.25 | 608131.00 | 561055.50 | 362446.75 | 496381.50 | 533436.00 | 712238.67 | 365885.00 | 751180.00 | 925331.00 | 807686.80 | - | 583130.40 | 449629.00 | 356261.00 | 268573.00 | 786951.00 | 459137.00 | 746490.00 | 544704.67 | 866667.50 | 1033717.50 | 498547.00 | 460271.00 | 279306.50 | 533717.00 | 656644.67 | 991624.00 | 437324.00 | 646615.00 | 371861.00 | 518517.50 | ||
NORVALINE (CAS# 6600-40-4); M+[-CO2H] | 1247134.00 | 1534774.00 | 1326052.67 | 1540112.00 | 972042.67 | 1407297.33 | 934525.00 | 941177.00 | 1191964.00 | 1182391.00 | 1491694.00 | 1218243.33 | 1682176.00 | 1036506.00 | 1070354.50 | 1511190.50 | 1515768.00 | 1061115.00 | 1201560.50 | 1321980.00 | 1483286.67 | 1228514.33 | 1530771.00 | 2078069.00 | 1475022.80 | 1157920.00 | 1223368.60 | 1348595.00 | 662733.00 | 761759.00 | 1492238.33 | 1309714.67 | 1173902.00 | 1609899.33 | 1713875.50 | 1807277.50 | 852371.33 | 1659141.00 | 934176.50 | 1277531.00 | 1220991.67 | 1675350.00 | 905978.00 | 1542535.00 | 815320.00 | 1132985.50 | ||
NORVALINE (CAS# 6600-40-4); (M+H)+ | 2160264.00 | 2123490.00 | 2292400.67 | 2181737.00 | 1663654.33 | 2405009.33 | 1572929.00 | 1587522.00 | 2110911.50 | 2327699.00 | 2433996.50 | 1939204.00 | 2494086.00 | 1451176.00 | 1718537.50 | 2561416.00 | 2245496.00 | 1669702.50 | 1922258.00 | 1996490.50 | 2217776.00 | 2099637.00 | 2582199.00 | 3472674.00 | 2499234.00 | 1842625.00 | 1990843.40 | 2374103.00 | 1002533.00 | 971291.00 | 2555518.67 | 2121526.67 | 2263112.33 | 2587966.00 | 2513047.00 | 3507890.00 | 1516553.67 | 2573081.00 | 1448608.00 | 2044110.00 | 1877572.00 | 3068471.00 | 1451926.00 | 2775398.00 | 1637947.00 | 1855319.00 | ||
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ | 11297.00 | - | 9981.00 | 20315.50 | 11338.00 | 12193.50 | 17046.00 | 16708.00 | 3765.00 | 7366.00 | - | 9457.00 | - | - | 10061.00 | 20706.50 | 8295.50 | 12345.67 | 9165.00 | 3161.00 | 8071.00 | 9829.00 | 8132.00 | - | 21845.00 | 7544.00 | 10693.00 | 15703.00 | 6947.00 | 5052.00 | 8380.00 | 4610.33 | 6499.00 | 8941.50 | 12804.00 | - | 8457.00 | 6584.00 | 12757.00 | 6480.00 | 8613.50 | 13288.00 | - | 21423.00 | 3008.00 | 16486.00 | ||
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+ | - | 3222.00 | - | 3933.00 | - | 2822.00 | - | - | - | - | - | - | - | - | - | 2433.00 | - | 1964.00 | - | - | - | - | - | 7352.00 | 3794.75 | - | 2782.00 | - | 1047.00 | - | - | - | 4167.00 | - | 2657.00 | - | 3473.00 | - | - | - | 1799.00 | - | - | - | - | - | ||
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ | - | 75005.00 | 519279.67 | 119697.00 | 278550.00 | 96297.50 | - | - | 78700.00 | 347014.50 | 761648.00 | 178652.50 | 860406.00 | 243603.00 | 656303.50 | 24927.50 | 49007.00 | 172537.67 | 249733.50 | 24604.00 | 218277.00 | 155850.00 | 481991.00 | 1425570.00 | 248830.40 | 12626.00 | 133152.50 | - | 137973.00 | 16655.00 | 201674.67 | 13843.50 | 76492.33 | 345120.50 | 282605.50 | 511103.00 | 107811.00 | 223404.00 | 13225.00 | 429037.50 | 828184.00 | 74883.00 | - | 507542.50 | 16636.00 | 323820.00 | ||
OLEAMIDE (CAS# 301-02-0); (M+H)+ | - | - | - | - | - | - | 2069.00 | - | - | - | - | - | - | - | - | - | - | - | - | 1095.00 | - | 64923.00 | - | - | 168119.00 | - | 56691.00 | - | - | - | - | - | - | - | - | - | - | - | 2166.00 | - | 11564.00 | - | - | 1068.00 | - | - | ||
OLEAMIDE (CAS# 301-02-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1385361.00 | - | - | 3239917.00 | - | 1641429.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | 495528.00 | - | - | - | - | - | ||
OLEIC ACID (CAS# 112-80-1); (M+H)+ | - | - | - | 3389.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2417.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
OLEIC ACID (CAS# 112-80-1); (M+NA)+ | 83467.00 | 67023.00 | 111726.33 | 118864.50 | 146027.00 | 135629.33 | 142098.00 | 95414.00 | 108293.00 | 134706.00 | 92494.00 | 121668.00 | 99642.00 | 95396.00 | 134483.50 | 139577.00 | 164613.50 | 135087.00 | 126336.00 | 119278.00 | 149609.67 | 89399.33 | 140331.00 | 209444.00 | 107732.60 | 129527.00 | 96103.60 | 179182.00 | 143388.00 | 154133.00 | 89802.67 | 107002.00 | 135096.67 | 127308.33 | 118727.50 | 131012.50 | 117247.67 | 156200.00 | 121271.50 | 169163.50 | 155704.33 | 96515.00 | 231399.00 | 115471.00 | 76061.00 | 86616.00 | ||
OMEPRAZOLE (CAS# 73590-58-6); (M+H)+ | - | 50703.00 | 247880.00 | - | - | - | - | - | - | - | - | - | - | - | - | 473790.00 | - | - | 1415.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 59643.00 | - | - | 5706.00 | - | - | - | 16796.00 | - | - | - | - | - | ||
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (2M+NA)+ | - | 75220.00 | - | - | - | - | - | - | - | 1051.00 | - | 1102.00 | - | - | - | 42806.00 | - | - | - | - | 3795.00 | - | - | - | - | - | - | - | - | - | - | - | - | 14040.00 | - | - | 15904.00 | - | - | - | 36406.00 | - | 2680.00 | 1128.00 | - | - | ||
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M+H)+ | - | 1187453.00 | 96986.00 | - | - | - | - | - | - | 2779.00 | 8092.00 | - | - | - | - | 1010909.00 | - | - | 12637.00 | - | - | - | 2111.00 | - | - | - | - | - | - | - | - | 5586.00 | - | 497177.00 | - | - | 521440.00 | - | - | - | 942066.00 | - | - | - | - | - | ||
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1065.00 | 1368.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5884.00 | - | 6581.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (2M... | - | 9610.00 | 859992.00 | 49673.00 | 83866.00 | 206516.00 | 20623.00 | 43084.00 | - | - | - | - | - | - | - | - | - | - | - | 3298.00 | - | - | - | - | - | - | 25372.00 | - | - | - | 80508.00 | - | 28642.00 | - | - | - | - | - | - | - | 60241.00 | - | - | - | - | - | ||
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M+... | - | 95098.00 | 275136.00 | 223347.00 | 132773.50 | 460039.00 | 141588.00 | 170700.00 | - | - | - | - | - | - | 44776.00 | - | 2505.00 | - | - | - | - | - | - | - | 1419.00 | - | 109539.50 | - | - | - | 253624.00 | - | 164522.00 | 1513.00 | - | - | 13954.00 | - | - | - | 128515.50 | - | - | - | - | - | ||
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M+... | - | 438136.00 | 1198193.33 | 362061.50 | 523362.00 | 1339841.00 | 446015.00 | 741835.00 | - | - | - | 4492.00 | - | - | 182226.00 | - | 9924.00 | - | - | 222923.00 | - | - | - | - | 9719.00 | - | 384537.50 | - | - | - | 1018958.00 | - | 765773.00 | 6563.00 | - | 4022.00 | 37370.00 | - | - | - | 420485.00 | - | - | - | - | - | ||
PALATINOSE (CAS# 343336-76-5); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 16763.00 | 10454.00 | 12257.67 | 21567.00 | 15658.00 | 10190.00 | 20989.00 | 24219.50 | 6106.33 | 7785.00 | 5186.00 | 6045.25 | 7176.00 | 5870.00 | 10861.67 | 5508.50 | 10730.00 | 21603.33 | 8812.33 | 6484.00 | 5414.00 | 13077.20 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 12591.67 | 28402.33 | 11710.67 | 11626.00 | 4740.00 | 28713.00 | 92591.33 | 11372.00 | 9555.00 | 4488.00 | 19966.67 | 3305.00 | 5690.00 | 7232.00 | 2810.00 | 22188.00 | ||
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ | 44053.00 | 113584.00 | 109573.67 | 135676.67 | 84757.00 | 95807.00 | 103705.00 | 51747.00 | 79392.00 | 89938.67 | 102301.00 | 97098.33 | 241758.00 | 93081.00 | 76306.75 | 68752.00 | 149496.50 | 75503.75 | 97705.00 | 53511.00 | 108517.33 | 106189.67 | 87332.00 | 171324.00 | 113291.00 | 54365.00 | 97355.80 | 41510.00 | 67780.00 | 32305.00 | 104464.67 | 108003.67 | 99274.33 | 123562.67 | 100590.50 | 132427.50 | 91882.67 | 90901.00 | 47521.00 | 106936.00 | 171656.00 | 175789.00 | 61371.00 | 111488.50 | 133028.00 | 72954.00 | ||
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ | 27778.00 | 46569.00 | 42273.67 | 87670.67 | 49193.00 | 57515.33 | 90833.00 | 31585.00 | 48501.00 | 40478.00 | 48777.50 | 55928.00 | 77743.00 | 47621.00 | 32858.00 | 34915.50 | 69075.50 | 62640.50 | 56151.00 | 28519.00 | 75147.33 | 43449.33 | 28419.00 | 55754.00 | 50208.00 | 47852.00 | 46451.20 | 25649.00 | 38013.00 | 28916.00 | 42023.33 | 84748.00 | 43458.67 | 66124.00 | 39910.00 | 47768.00 | 55246.33 | 82041.00 | 31078.50 | 45055.00 | 64806.33 | 57713.00 | 54997.00 | 43575.50 | 77317.00 | 48939.50 | ||
PANTOTHENATE (CAS# 79-83-4); (M+H)+ | 46490.00 | 39845.00 | 35330.00 | 22889.33 | 22517.67 | 27119.00 | 25111.00 | 23805.00 | 19356.50 | 34823.33 | 19980.00 | 23585.33 | 12879.00 | 5681.00 | 20248.00 | 53566.00 | 25560.00 | 25819.25 | 129896.50 | 29413.50 | 12831.00 | 19321.67 | 27329.00 | 8163.00 | 60091.80 | 15739.00 | 18350.60 | 17795.00 | 12681.00 | 18834.00 | 28724.00 | 47267.50 | 19236.00 | 33713.00 | 91877.00 | 21642.50 | 20292.00 | 114983.00 | 63629.50 | 11152.50 | 25817.33 | 47295.00 | - | 47594.00 | 15208.00 | 36332.00 | ||
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ | 39313.00 | 32232.00 | 28285.33 | 19472.33 | 18648.33 | 23499.67 | 22045.00 | 17600.00 | 17084.00 | 29877.00 | 13765.50 | 18756.33 | 8900.00 | 4771.00 | 15525.00 | 41242.00 | 21597.50 | 22891.00 | 125871.50 | 22468.00 | 10431.00 | 15314.00 | 21363.00 | 7005.00 | 49412.40 | 13492.00 | 14579.80 | 14693.00 | 9070.00 | 16088.00 | 22681.67 | 32907.33 | 14881.33 | 30674.33 | 73737.00 | 15869.00 | 15894.33 | 114342.00 | 57259.50 | 9104.50 | 21727.33 | 36963.00 | 7503.00 | 37065.50 | 12911.00 | 31587.00 | ||
PARAXANTHINE (CAS# 611-59-6); (M+H)+ | 552098.00 | 67332.00 | 119807.00 | 116303.50 | 172132.33 | 87093.00 | 57579.00 | 20803.00 | 205907.50 | 108587.50 | 256538.00 | 71139.50 | 37342.00 | 20503.00 | 35456.25 | 43154.50 | 68517.50 | 331335.75 | 117325.50 | 62163.50 | 61160.00 | 48651.00 | 106339.00 | 41952.00 | 86837.00 | 101628.00 | 64637.67 | 149841.00 | - | 34710.00 | 109554.67 | 126521.50 | 192592.00 | 358974.67 | 74100.50 | 32485.50 | 29046.50 | 53212.00 | 275433.50 | 99725.50 | 86572.00 | 38537.00 | 56821.00 | 43860.00 | 43102.00 | 85136.50 | ||
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ | 14480.00 | 46683.00 | 102345.67 | 93709.33 | 80083.00 | 114904.33 | 45032.00 | 12674.00 | 95171.50 | 76827.67 | 47258.00 | 93092.00 | 21033.00 | 18208.00 | 40046.50 | 97869.50 | 126828.00 | 88793.50 | 39653.00 | 79220.00 | 83830.33 | 49343.33 | 84509.00 | 50085.00 | 71940.25 | 142177.00 | 109501.50 | 46413.00 | 29482.00 | 56312.00 | 113088.00 | 40993.33 | 177611.00 | 76339.00 | 69906.00 | 74465.00 | 36287.50 | 66789.00 | 70954.50 | 52764.00 | 64390.67 | 119508.00 | 87084.00 | 146843.00 | 42881.00 | 88798.00 | ||
PHENYLALANINE (CAS# 63-91-2); (M+H)+ | 304270.00 | 100264.00 | 282084.67 | 105830.33 | 316624.67 | 349794.33 | 319235.00 | 62529.00 | 228115.50 | 600991.67 | 118177.50 | 260326.00 | 90381.00 | 113909.00 | 328853.25 | 79288.50 | 106856.00 | 157724.25 | 227303.50 | 82755.50 | 278504.33 | 75454.50 | 225353.00 | 925331.00 | 440254.80 | - | 188620.80 | 116205.00 | 41930.00 | 49160.00 | 407504.67 | 190094.33 | 372902.33 | 431756.33 | 510381.50 | 672747.50 | 180762.67 | 42698.00 | 120959.50 | 533717.00 | 142912.00 | 132550.00 | 58961.00 | 197374.00 | 371861.00 | 69569.50 | ||
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ | - | - | 3547.00 | 9896.00 | 2470.00 | 1591.00 | - | 5922.00 | - | 9101.00 | 7100.00 | 3123.50 | 5681.00 | 4876.00 | 4908.00 | 3450.00 | 1753.00 | 3106.00 | 3016.00 | 4100.00 | 1636.00 | 3330.00 | 2555.00 | 7270.00 | 5667.00 | - | 4994.80 | 4203.00 | 2998.00 | - | 3495.00 | 4234.50 | 4438.50 | 8915.00 | 5467.50 | 9490.00 | 3902.67 | - | 3399.00 | 3560.00 | 1762.50 | 5760.00 | 4596.00 | 8958.00 | 1442.00 | - | ||
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+ | - | - | - | - | - | - | - | - | - | 5673.00 | - | - | - | - | - | 2915.00 | - | - | - | - | - | - | 9082.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11610.00 | - | - | - | - | - | - | - | - | ||
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1075.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
PHTHALATE (CAS# 88-99-3); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 17683.00 | - | - | - | - | - | ||
PINITOL (CAS# 10284-63-6); (M+NA)+ | - | 10424.00 | 11917.00 | 4174.00 | 5917.00 | 7892.00 | - | 1590.00 | - | 11321.67 | 1920.00 | 8128.67 | - | - | 9142.25 | 3065.00 | - | 4611.00 | 5519.00 | - | 43178.00 | 7125.00 | 5521.00 | - | 17383.00 | - | 18800.33 | 3341.00 | 5989.00 | - | 5436.67 | 5041.50 | 5146.50 | 3606.50 | 6921.50 | 3369.50 | 2102.00 | 42424.00 | - | 2077.00 | - | 12757.00 | - | - | - | - | ||
PIPECOLATE (CAS# 535-75-1); (M+H)+ | 8519.00 | 199068.00 | 11212.33 | 308146.33 | 174739.33 | 312551.67 | 612307.00 | 9220.00 | 203441.00 | 113131.00 | 366863.00 | 11702.33 | 13689.00 | 8204.00 | 10362.00 | 14514.00 | 11336.00 | 133926.33 | 8651.50 | 10655.50 | 132390.00 | 145077.67 | 971495.00 | 18470.00 | 168643.20 | 12778.00 | 260791.50 | 8903.00 | 222597.00 | 9742.00 | 17753.00 | 10065.33 | 211675.00 | 219259.67 | 15320.00 | 16167.00 | 9387.00 | 481181.00 | 6906.00 | 97897.50 | 10203.67 | 12792.00 | 9044.00 | - | - | 148688.50 | ||
PIPECOLATE (CAS# 535-75-1); (M+NA)+ | 2444.00 | 4049.00 | 4855.50 | 1784.00 | 1190.00 | 2860.00 | 7656.00 | - | 1914.50 | 1835.50 | - | 2436.00 | - | 1714.00 | 1866.50 | - | 2623.00 | 1915.50 | 2204.00 | 1824.00 | 2315.00 | 1493.00 | 9511.00 | 3355.00 | 2063.00 | 1342.00 | 3656.50 | - | - | - | 1728.00 | 1805.50 | 1715.50 | 1789.00 | 2420.00 | 2243.00 | 1623.00 | - | 5287.00 | 1471.00 | 3163.00 | - | 2864.00 | 1198.50 | - | - | ||
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ | - | 134450.00 | - | - | 110967.00 | 86734.00 | - | 11201.00 | 77431.00 | 70501.00 | - | 79629.00 | - | - | 87653.00 | - | - | 98594.00 | 52522.00 | 110411.00 | - | - | - | - | 76607.00 | - | 80462.50 | 45341.00 | - | - | 104862.00 | - | 148892.00 | 173048.00 | 155300.00 | - | - | - | 20512.00 | 112539.00 | 118434.00 | - | - | - | 72224.00 | - | ||
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+NA)+ | - | 5542.00 | 2206.00 | 2618.67 | 2674.00 | 2787.33 | - | - | 10240.00 | 2737.50 | - | 2158.00 | - | - | - | 2385.00 | - | 2793.00 | 1204.00 | 3721.00 | - | 4074.00 | 1589.00 | 4989.00 | 3256.67 | - | 2103.00 | 2525.00 | - | - | 2413.00 | - | 2327.00 | 1249.00 | 3425.50 | 3574.00 | 1508.00 | - | 1178.00 | 2503.00 | 4060.00 | - | - | 5552.00 | 1505.00 | 2143.00 | ||
PROGESTERONE (CAS# 57-83-0); (M+H)+ | - | - | 1455.00 | 1534.00 | - | - | - | - | - | 1838.00 | - | 1776.00 | 3752.00 | 2839.00 | 2164.67 | 1941.00 | - | - | - | 1310.00 | - | 2733.00 | - | - | 2316.00 | - | 1851.00 | - | - | - | - | 1838.33 | 1762.00 | - | 2443.00 | 3388.00 | 2521.00 | - | - | 3967.00 | - | - | - | - | - | - | ||
PROGESTERONE (CAS# 57-83-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3408.00 | - | - | - | - | - | 4227.00 | - | - | - | - | - | - | 1078.00 | - | 6840.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
PROLINE (CAS# 147-85-3); (M+H)+ | 383397.00 | 8092.00 | 484422.33 | 415331.33 | 318508.33 | 233939.00 | 4575.00 | 6133.00 | 399662.50 | 357396.33 | 437867.00 | 359780.00 | 403537.00 | 276538.00 | 326575.50 | 458370.00 | 392958.50 | 288725.75 | 386169.00 | 320113.50 | 388580.00 | 246221.67 | 489368.00 | 532647.00 | 454154.40 | 416900.00 | 318042.40 | 272765.00 | 175759.00 | 286323.00 | 461094.00 | 383055.00 | 248563.00 | 483749.00 | 537031.00 | 579936.00 | 313318.00 | 259497.00 | 212666.00 | 300351.00 | 353049.33 | 337434.00 | 348282.00 | 365354.00 | 284211.00 | 107599.50 | ||
PROLINE (CAS# 147-85-3); (M+NA)+ | 170955.00 | 145133.00 | 135604.67 | - | 88191.33 | 47240.00 | 52552.00 | 264142.00 | 120638.50 | 112379.00 | 55287.50 | 52594.33 | 208855.00 | 23745.00 | 111226.67 | 84900.50 | 94141.00 | 40075.50 | 83097.00 | 62274.50 | 22669.00 | 26636.33 | 221034.00 | 29594.00 | 99050.60 | 64540.00 | 28231.00 | 32793.00 | 21902.00 | 30169.00 | 112464.33 | 58868.33 | 57220.50 | 70472.00 | 98001.00 | 55108.00 | 45809.33 | 37117.00 | 31092.00 | 42560.50 | 90686.33 | 40486.00 | 58674.00 | 48272.00 | 32509.00 | 31003.50 | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | 1057.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1673.00 | - | - | - | 12243.00 | - | - | - | - | - | 9178.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 15974.00 | 2528.00 | - | - | - | - | - | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ | 34361.00 | 89602.00 | 21893.50 | 50225.33 | 10096.67 | 35758.00 | 60573.00 | 36575.00 | 29012.00 | 47295.50 | 30202.50 | 49208.33 | 25334.00 | 19778.00 | 30595.00 | 21089.00 | 11924.00 | 15179.75 | 43113.50 | 33969.00 | 16986.50 | 33539.67 | 41838.00 | 34862.00 | 42621.75 | 10420.00 | 28631.20 | 7173.00 | 12742.00 | 15499.00 | 16794.50 | 54121.50 | 30975.33 | 68055.67 | 10794.00 | 36057.50 | 13265.50 | 72431.00 | 9119.50 | 17806.00 | 18145.00 | 70384.00 | - | 25458.00 | 32676.00 | 34448.50 | ||
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1030.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
PTERIN (CAS# 2236-60-4); (M+H)+ | - | - | - | - | - | - | - | - | 358159.00 | - | - | - | - | - | - | - | - | 451433.00 | - | - | 635916.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 404372.00 | - | ||
PURINE (CAS# 120-73-0); (M+H)+ | 8658.00 | 91473.00 | 204321.00 | 419071.33 | 40887.00 | 402574.67 | 121830.00 | 19265.00 | 32979.50 | 130345.33 | 141924.00 | 247065.33 | 538369.00 | 39497.00 | 301531.75 | 171654.00 | 373202.50 | 274474.00 | 54898.00 | 87312.50 | 422786.67 | 218614.67 | 35464.00 | 23561.00 | 278772.00 | 92991.00 | 365101.25 | 72517.00 | 94078.00 | 62494.00 | 121705.00 | 36095.67 | 222199.00 | 330718.67 | 343315.00 | 647401.50 | 212179.00 | 97672.00 | 103001.50 | 61218.50 | 242670.33 | 763914.00 | - | 234852.50 | 90016.00 | 28398.50 | ||
PURINE (CAS# 120-73-0); (M+NA)+ | - | - | 13565.67 | 27233.00 | 5490.00 | 10401.00 | - | - | 2964.00 | - | 5536.50 | - | 7346.00 | 1604.00 | 12369.00 | 11132.00 | 2686.00 | 8574.00 | - | 11441.00 | 13589.00 | - | 7542.00 | - | 9749.00 | - | 5729.00 | 8013.00 | - | 4482.00 | 7156.00 | 9189.50 | - | 28923.00 | 21403.50 | 13883.00 | 4998.50 | - | - | - | 7019.67 | - | - | 1350.00 | - | - | ||
PYRIDOXAL (CAS# 66-72-8); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 17619.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O] | - | - | - | - | - | 2923.00 | 2347.00 | - | - | - | - | - | 4806.00 | - | 1323.00 | 1790.00 | - | 1882.00 | - | - | - | - | - | - | - | - | 2834.00 | - | - | - | 2460.00 | - | - | - | - | - | - | - | - | 1547.00 | - | - | - | - | - | - | ||
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 4666.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
PYRIDOXINE (CAS# 65-23-6); (M+H)+ | - | - | - | - | - | - | - | - | 1747.00 | 1786.00 | - | 1183.00 | 3065.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1157.00 | - | 1047.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
QUINATE (CAS# 77-95-2); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5214.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
QUINATE (CAS# 77-95-2); (M+NA)+ | - | - | 2390.00 | 10740.00 | - | 12321.00 | - | - | 1426.00 | 27048.00 | - | 9083.00 | - | - | 7274.00 | 5115.00 | 3686.00 | - | 6064.00 | - | - | - | 22505.00 | - | 9954.00 | 2060.00 | - | - | - | - | 8176.00 | - | 10034.00 | 4657.00 | 5937.00 | - | - | - | 12689.00 | - | 10053.50 | - | - | - | - | - | ||
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ | - | - | - | 5198.33 | - | 1985.00 | 3395.00 | 2629.00 | - | 2442.00 | 1355.50 | 1385.50 | - | - | 2391.00 | 2859.00 | 2489.50 | 1203.33 | - | - | - | 4080.00 | 1448.00 | - | 2189.50 | 1669.00 | 2244.00 | 1505.00 | - | - | 3259.00 | 1764.00 | - | 3041.50 | - | 2104.00 | 1414.00 | 2536.00 | 1984.00 | - | 2605.00 | 5005.00 | 1307.00 | 3644.00 | - | 4047.00 | ||
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ | - | - | - | 8139.00 | - | 1666.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ | - | 15756.00 | 8409.00 | 14006.00 | 9942.00 | 10775.00 | 12987.00 | 12424.00 | 17011.00 | 12611.00 | 10926.50 | 18689.33 | 10704.00 | 9853.00 | 13381.33 | 15043.50 | - | 10176.75 | 8347.00 | 16577.00 | 17715.67 | 15266.00 | 9906.00 | 9582.00 | 10533.33 | 8471.00 | 11458.00 | 17026.00 | 8705.00 | 18268.00 | 14907.67 | 17804.67 | 14720.00 | 17766.00 | 6116.00 | 11429.50 | 13248.00 | 5934.00 | - | 14721.00 | 10985.33 | - | 10833.00 | 8230.50 | 7720.00 | 16731.50 | ||
RAFFINOSE (CAS# 512-69-6); (M+K)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1017.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1116.00 | - | - | - | - | - | ||
RAFFINOSE (CAS# 512-69-6); (M+NA)+ | 3360.00 | 3200.00 | 4054.00 | 1100.50 | 1237.00 | 1758.00 | 3320.00 | 1212.00 | 1986.00 | - | - | 1718.00 | - | - | 3282.00 | 1072.50 | - | - | - | - | 11799.50 | 1313.00 | - | - | 1805.00 | - | 1686.00 | 1212.00 | - | - | - | 1859.00 | 1298.50 | 1787.50 | - | - | 5925.00 | - | 1978.00 | 1014.00 | 6814.67 | - | 1609.00 | 1118.00 | 1530.00 | - | ||
RESORCINOL MONOACETATE (CAS# 102-29-4); (M+H)+ | - | - | - | - | - | - | - | - | - | 1626.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1744.00 | - | 1114.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
RIBOSE (CAS# 50-69-1); (M+NA)+ | - | - | 26789.00 | 8090.00 | 2148.00 | 1933.00 | - | - | - | 11402.00 | - | - | - | - | - | - | - | 7006.00 | 9166.00 | - | 4322.50 | 2416.00 | - | 10579.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5965.00 | - | 28922.00 | - | - | - | - | - | ||
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ... | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1859.50 | - | - | - | - | - | - | - | - | - | - | 2180.00 | - | - | - | - | - | - | - | 1036.00 | - | - | ||
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ | 2167.00 | 3399.00 | - | 5702.50 | - | 2069.33 | 4190.00 | 7683.00 | 2794.00 | 2001.00 | 1131.00 | 2201.00 | 2481.00 | - | 1707.00 | - | 1192.00 | 1737.00 | 2710.00 | - | 1481.00 | 5458.00 | 2781.00 | - | 1211.50 | - | 2334.00 | - | 1683.00 | 1306.00 | 2221.00 | 4665.00 | 3667.67 | 4416.00 | 1026.00 | 3560.00 | - | - | - | - | 1838.00 | 1861.00 | 1185.00 | 1979.50 | 1348.00 | 5186.00 | ||
SALICYLURIC ACID (CAS# 487-54-7); (M+H)+ | - | - | - | - | - | - | - | - | - | - | 23200.00 | - | - | - | 10220.00 | - | - | - | - | - | - | - | - | 30845.00 | - | - | - | - | 24350.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5878.00 | - | - | 4365.00 | 5614.00 | - | - | - | - | 19576.00 | - | - | - | - | 13692.00 | - | - | 17944.00 | - | - | - | - | 28584.00 | - | - | - | - | - | - | - | - | - | ||
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+ | - | - | - | - | 2954.00 | - | - | - | 7427.00 | 5386.50 | 5379.00 | 8766.00 | - | - | 7230.00 | 3559.00 | - | 3722.00 | - | - | - | 10106.00 | 8519.00 | - | 5320.00 | - | - | - | 5727.00 | - | 2766.00 | 2368.00 | - | - | 5869.00 | - | - | - | - | - | - | 4914.00 | - | 5853.00 | - | - | ||
SARCOSINE (CAS# 107-97-1); (M+H)+ | - | - | - | 5215.00 | - | - | - | - | 1415.00 | 3177.00 | 3876.00 | - | - | - | - | - | - | - | 6376.00 | 9217.00 | 4383.00 | - | - | - | 1930.00 | - | - | - | - | - | - | - | - | - | 5557.00 | 8660.00 | - | - | 1568.00 | - | - | - | - | - | - | - | ||
SEBACIC ACID (CAS# 111-20-6); (M+NA)+ | - | - | - | - | 1839.00 | - | - | - | - | - | - | 3060.00 | - | - | - | - | - | - | 2027.00 | 2173.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1474.00 | - | - | - | - | - | - | ||
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 1323.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+ | - | - | - | - | 3083.00 | - | - | - | - | - | - | 3708.00 | - | - | - | 2311.00 | 5055.00 | - | 1418.00 | - | - | - | - | - | - | - | 5763.00 | - | - | - | 2501.00 | - | - | - | - | - | - | - | 1713.00 | - | - | - | - | - | - | - | ||
SERINE (CAS# 56-45-1); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | 4797.00 | - | - | - | - | - | - | 2173.00 | - | - | - | 2879.00 | - | - | - | 3181.00 | - | - | - | - | - | 4423.00 | 2010.00 | - | - | - | 1461.00 | - | - | - | - | - | - | - | - | ||
SEROTONIN (CAS# 50-67-9); (M+H)+ | 54112.00 | 104135.00 | 21048.33 | 51016.67 | 23093.00 | 34818.33 | 15756.00 | 18907.00 | 17538.00 | 16377.33 | 15704.50 | 16431.67 | 573038.00 | 494333.00 | 37513.50 | 126278.00 | 41755.50 | 46203.25 | 74300.00 | 33041.50 | 11047.33 | 12939.33 | 12518.00 | 61825.00 | 44917.75 | 51679.00 | 30195.50 | 45003.00 | 5120.00 | 1869.00 | 16093.00 | 190234.00 | 27427.00 | 195839.33 | 32040.00 | 15147.50 | 16695.00 | 51224.00 | 19250.00 | 12273.50 | 15793.33 | 50864.00 | 30230.00 | 27547.00 | 26296.00 | 15905.00 | ||
SEROTONIN (CAS# 50-67-9); (M+NA)+ | 33024.00 | 21544.00 | 13063.00 | - | - | - | 6038.00 | - | - | - | - | - | 81666.00 | 62893.00 | 17202.00 | 32275.00 | - | 5335.00 | 16418.50 | - | - | - | - | - | 12815.00 | - | - | - | - | - | 28023.50 | 40853.50 | 8956.00 | 57781.00 | - | - | 9443.00 | - | 13624.00 | - | 11639.00 | - | - | 13763.00 | - | - | ||
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O] | - | 3108.00 | - | - | - | 23320.00 | - | - | - | 63788.00 | - | - | - | - | - | - | - | - | - | - | - | - | 29790.00 | - | - | 6315.00 | 1483.00 | - | - | - | - | - | - | - | - | - | - | - | 2243.00 | - | - | - | - | - | - | - | ||
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ | 106004.00 | 38304.00 | 39824.33 | 71332.00 | 47392.00 | 146038.00 | 70890.00 | 40402.00 | 73076.50 | 87646.00 | 123240.50 | 68006.33 | 47388.00 | 55028.00 | 64816.00 | 65501.50 | 109691.50 | 61268.50 | 163014.50 | 108068.50 | 118232.33 | 45522.00 | 107342.00 | 11597.00 | 106405.20 | 101089.00 | 83460.25 | 41175.00 | 52653.00 | 74341.00 | 128057.33 | 101229.00 | 67231.67 | 100161.00 | 67864.00 | 133914.00 | 78890.67 | 77460.00 | 69833.00 | 52882.00 | 52749.50 | 60648.00 | 231114.00 | 30042.50 | 77525.00 | 86742.50 | ||
SPERMIDINE (CAS# 124-20-9); (M+H)+ | - | - | - | 8114.00 | 1806.00 | 1874.00 | 1012.00 | 1623.00 | - | 1810.00 | - | - | 32128.00 | 1166.00 | 2082.00 | 1904.00 | - | - | - | - | 3140.00 | 2232.00 | - | - | - | 4398.00 | 1228.00 | - | - | 3792.00 | 3146.00 | - | - | 1828.00 | - | 4000.00 | - | - | 1789.00 | 1539.00 | - | - | - | - | 1094.00 | - | ||
SPERMINE (CAS# 71-44-3); (M+H)+ | - | - | - | - | - | - | - | - | - | 1729.00 | - | 2893.00 | - | - | 6638.00 | - | - | 4469.00 | - | - | 1074.00 | - | - | - | - | - | 1329.00 | - | - | - | - | - | - | 3032.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
SPHINGANINE (CAS# 764-22-7); (M+H)+ | 1339.00 | - | 1785.00 | 3412.50 | - | 2036.33 | 5859.00 | - | 1132.00 | - | - | 1192.00 | - | - | 1466.00 | - | 1066.00 | 2046.33 | - | - | 3393.00 | - | - | - | - | 1873.00 | 1508.00 | - | - | - | 1197.00 | 14140.00 | - | 4720.00 | - | - | 1606.00 | 3611.00 | 1253.00 | 1758.00 | - | - | - | - | 2696.00 | - | ||
SPHINGANINE (CAS# 764-22-7); (M+NA)+ | - | - | - | - | - | - | 16305.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 41002.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
SQUALENE (CAS# 111-02-4); (M+K)+ | 1863.00 | - | - | - | - | - | - | - | 1353.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2012.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
STACHYOSE (CAS# 54261-98-2); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 17488.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1060.00 | - | - | - | - | - | - | - | - | - | ||
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ | 6784.00 | 9386.00 | 8931.00 | 9929.67 | 3635.00 | 7040.67 | 8849.00 | 9280.00 | 8040.00 | 4759.00 | 13302.50 | 6558.00 | - | 4301.00 | 6132.25 | 6293.50 | 8418.50 | 8386.00 | 4978.00 | 10691.00 | 8791.00 | 7309.00 | 2909.00 | 12412.00 | 11440.20 | - | 5921.20 | 1600.00 | - | - | 6952.33 | 10429.00 | 7841.50 | 6765.33 | 8953.00 | 8322.00 | 9936.00 | 11816.00 | 3178.00 | 7029.00 | 9402.33 | 6576.00 | 8696.00 | 4758.00 | 7895.00 | 3313.00 | ||
SUCROSE (CAS# 57-50-1); (M+NA)+ | 26397.00 | 28627.00 | 24966.67 | 14792.33 | 10454.00 | 12257.67 | 21567.00 | 15658.00 | 10190.00 | 19836.33 | 24219.50 | 6106.33 | 7785.00 | 2578.00 | 5215.75 | 7176.00 | 5870.00 | 10861.67 | 5508.50 | 10730.00 | 21603.33 | 8812.33 | 6484.00 | 5414.00 | 13077.20 | 5457.00 | 6461.00 | 7527.00 | 5218.00 | 16018.00 | 12591.67 | 28032.00 | 11710.67 | 11626.00 | 6189.00 | 28713.00 | 92591.33 | 11372.00 | 8635.50 | 4488.00 | 19966.67 | 3305.00 | 5690.00 | 7232.00 | 2810.00 | 22188.00 | ||
TAURINE (CAS# 107-35-7); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2549.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
TAURINE (CAS# 107-35-7); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1825.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ | - | - | - | - | - | 9600.50 | - | - | 4780.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 6581.00 | - | - | - | - | - | - | - | - | - | - | 9963.00 | - | - | - | - | - | - | - | - | ||
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ | - | - | - | - | 1522.00 | 3930.00 | - | - | 15262.00 | - | 1857.50 | 7727.00 | - | - | 34195.00 | - | - | 5089.00 | - | - | 5715.00 | - | - | 3424.00 | 3696.00 | - | - | - | - | - | 13024.00 | - | - | 10034.00 | - | 4392.00 | - | 5474.00 | - | - | - | 5736.00 | - | 4432.00 | - | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ | - | - | 70744.00 | - | 65552.00 | 73670.00 | 42838.00 | 50732.00 | 68011.50 | 104747.00 | 71650.00 | 73564.50 | 63173.00 | 41608.00 | 69474.00 | - | - | 56873.00 | 45466.50 | 79304.50 | 37640.67 | 60617.00 | 61830.00 | - | 72880.67 | 73818.00 | 58394.75 | 62312.00 | 26305.00 | 40488.00 | 82631.00 | 98660.00 | 68210.33 | 72116.00 | 41210.00 | 34801.00 | 60472.00 | 87829.00 | 54567.00 | 57240.00 | 65136.00 | 100702.00 | 65026.00 | 97842.00 | - | 62057.00 | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 7935.00 | - | - | 10082.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
THEOBROMINE (CAS# 83-67-0); (M+H)+ | 184747.00 | 196318.00 | 348437.33 | 347518.00 | 163871.00 | 245242.67 | 35011.00 | 100448.00 | 302363.50 | 112592.50 | 70756.00 | 90756.67 | 51321.00 | 49944.00 | 57337.75 | 293287.00 | 77363.00 | 198962.67 | 86948.00 | 171879.50 | 115350.00 | 276578.00 | 97171.00 | 270670.00 | 246878.60 | 266152.00 | 106066.25 | 32337.00 | 122313.00 | 47462.00 | 527953.67 | 159380.00 | 665819.33 | 445634.33 | 70525.50 | 292273.00 | 192471.00 | 226364.00 | 111856.00 | 144420.00 | 372984.33 | 53845.00 | 247766.00 | 243395.00 | 117293.00 | 289301.50 | ||
THEOBROMINE (CAS# 83-67-0); (M+NA)+ | - | 83614.00 | 29649.00 | 49597.50 | - | 41954.00 | 26960.00 | 25601.00 | 142081.00 | 16958.50 | 30315.00 | 18161.00 | - | - | 14001.00 | 47593.50 | - | 17367.67 | 15630.00 | 27324.00 | 47262.00 | 20366.50 | - | 36027.00 | 30401.67 | 37311.00 | 48624.00 | 19493.00 | - | 6823.00 | 36899.50 | - | 93707.50 | 22775.00 | - | 20866.00 | 7196.00 | - | - | 11378.00 | 27467.00 | - | - | - | - | 33162.00 | ||
THEOPHYLLINE (CAS# 58-55-9); (M+H)+ | 551031.00 | 559790.00 | 119807.00 | 986264.50 | 172132.33 | 427670.67 | 56251.00 | 19912.00 | 373923.50 | 536195.00 | 255049.00 | 353639.50 | 341531.00 | 133387.00 | 266723.75 | 299183.50 | 123312.00 | 375497.50 | 234894.50 | 214893.00 | 307271.67 | 159073.67 | 641482.00 | 41952.00 | 454891.75 | 491727.00 | 64191.00 | 151510.00 | - | 33390.00 | 579436.33 | 264915.50 | 236377.00 | 359017.67 | 72965.50 | 174563.00 | 135211.00 | 167181.00 | 275433.50 | 99725.50 | 162505.00 | 132572.00 | 388398.00 | 305115.50 | 146200.00 | 509818.50 | ||
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ | 23556.00 | 46683.00 | 101669.00 | 108365.00 | 78911.67 | 78759.67 | 16921.00 | 73267.00 | 67356.50 | 75044.33 | 51276.00 | 84219.00 | 21033.00 | 2025.00 | 28079.00 | 82844.00 | 126828.00 | 86014.00 | 39735.50 | 52352.00 | 83254.33 | 55026.33 | 84974.00 | 51382.00 | 97557.25 | 142223.00 | 110632.50 | 31793.00 | 29497.00 | 55603.00 | 113367.67 | 34165.33 | 175203.33 | 58635.67 | 94228.50 | 71273.00 | 36437.00 | 48544.00 | 37634.00 | 45452.50 | 58894.00 | 98416.00 | 85377.00 | 99865.00 | 42881.00 | 88215.00 | ||
THIAMIN (CAS# 59-43-8); M+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1145.00 | - | - | - | - | - | - | - | - | 5006.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
THREONINE (CAS# 72-19-5); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | 2923.00 | - | 4691.00 | - | - | - | 3983.00 | - | - | - | - | - | - | 2515.00 | - | 6402.00 | 1322.00 | - | - | - | - | - | - | 1127.00 | - | - | - | - | 3830.00 | - | - | - | - | - | - | - | 4212.00 | ||
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | 1057.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
THYMINE (CAS# 65-71-4); (M+H)+ | 6988.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
THYROXINE (CAS# 51-48-9); (M+H)+ | 8261.00 | 12629.00 | 5649.00 | 9727.00 | 4555.00 | 7543.50 | - | 6532.00 | 7507.00 | 9506.00 | - | 8512.50 | 7233.00 | - | 5768.50 | 2688.00 | 5599.00 | 6049.00 | - | 7635.00 | 7420.00 | 9145.00 | - | 7060.00 | 6177.50 | 5645.00 | 6248.75 | - | 6917.00 | 4261.00 | 6025.50 | 7340.00 | 8494.00 | 7960.00 | 6885.50 | - | 4811.00 | - | 5202.00 | - | 4470.00 | - | 7081.00 | 7988.00 | 8733.00 | 9037.00 | ||
THYROXINE (CAS# 51-48-9); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1823.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 8071.00 | - | - | - | - | - | - | - | - | - | 11075.33 | - | 9362.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 8945.00 | 7881.00 | - | - | - | - | ||
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1643.00 | - | - | - | - | - | - | - | - | - | ||
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O] | 109727.00 | 518786.00 | 327747.67 | 419584.33 | 188750.67 | 346605.33 | 55959.00 | 237511.00 | 155876.50 | 385585.33 | 387625.50 | 212109.67 | 517601.00 | 349806.00 | 266251.25 | 239613.00 | 99765.00 | 167979.33 | 142403.00 | 321063.00 | 131587.50 | 410347.50 | 374697.00 | 275625.00 | 344295.60 | 148962.00 | 248213.50 | 99573.00 | 92387.00 | 46717.00 | 411256.67 | 258724.00 | 303250.67 | 285411.00 | 407278.50 | 398654.00 | 272540.00 | 237507.00 | 112404.00 | 181314.50 | 247729.00 | 326668.00 | 191758.00 | 474711.00 | 369707.00 | 125130.00 | ||
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1004.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ | - | - | - | - | - | - | - | - | - | - | 1451.00 | - | - | - | 1539.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ | 4138255.00 | 5593769.00 | 4472604.33 | 5055912.33 | 3578172.67 | 4639546.00 | 3118333.00 | 3724002.00 | 4391067.00 | 4741165.33 | 4619004.00 | 5041144.67 | 6247501.00 | 3439180.00 | 4221867.75 | 3838626.00 | 4805961.50 | 3695178.75 | 3822717.00 | 4954143.50 | 4198689.00 | 4447553.00 | 4666724.00 | 4295297.00 | 5850247.00 | 4215921.00 | 4481836.80 | 3886270.00 | 4670762.00 | 2690046.00 | 5093618.00 | 5355528.00 | 4194269.00 | 4742802.00 | 5539211.50 | 5981843.50 | 3624931.33 | 5395784.00 | 3869081.00 | 4162320.00 | 4386992.00 | 6933935.00 | 4972095.00 | 5929109.50 | 3869312.00 | 4322788.00 | ||
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ | 263096.00 | 399267.00 | 319221.67 | 363643.33 | 240541.00 | 322899.00 | 235991.00 | 265738.00 | 280151.00 | 330164.00 | 317454.50 | 362369.67 | 440275.00 | 243773.00 | 291292.50 | 274953.00 | 345059.50 | 276141.00 | 258089.00 | 331140.50 | 304833.67 | 310928.33 | 323059.00 | 313391.00 | 400219.20 | 323260.00 | 312994.80 | 240476.00 | 329476.00 | 212455.00 | 348776.67 | 379005.00 | 300376.67 | 327241.33 | 383270.00 | 414759.00 | 245885.67 | 373821.00 | 252953.50 | 277961.50 | 306470.00 | 486616.00 | 376084.00 | 409033.50 | 271844.00 | 311630.50 | ||
TYRAMINE (CAS# 51-67-2); (M+H)+ | - | - | - | - | - | - | - | - | - | 2014.00 | - | - | - | - | - | - | - | - | - | - | 1518.00 | - | - | - | - | - | 1128.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
TYROSINE (CAS# 60-18-4); (M+H)+ | 4604596.00 | 4084880.00 | 2755440.67 | 3365696.00 | 2887322.67 | 2849721.00 | 3171414.00 | 2785302.00 | 4334366.50 | 3531263.00 | 4207319.00 | 4005219.33 | 3827136.00 | 2385418.00 | 2208174.50 | 2674062.50 | 4081540.00 | 2999206.25 | 3319675.50 | 2925780.50 | 3674841.00 | 2646471.33 | 4178902.00 | 2560817.00 | 3590319.80 | 5096238.00 | 3000893.00 | 3608613.00 | 2293139.00 | 3810085.00 | 4125800.00 | 4523739.00 | 3615471.67 | 3947513.33 | 3331011.50 | 4560143.00 | 2328420.33 | 3831318.00 | 3570431.00 | 4048644.00 | 3840172.33 | 3183021.00 | 4010162.00 | 4084246.50 | 2024857.00 | 3038382.00 | ||
TYROSINE (CAS# 60-18-4); (M+NA)+ | 108312.00 | 334514.00 | 106472.33 | 120706.00 | 76179.00 | 91313.33 | 45857.00 | 121220.00 | 112440.50 | 165802.33 | 108428.00 | 170153.00 | - | 85721.00 | 90576.25 | 97757.00 | 132298.00 | 70439.00 | 71628.50 | 127151.50 | 133484.00 | 88584.00 | 157441.00 | 106521.00 | 157662.40 | - | 130501.75 | 51799.00 | 104379.00 | 43204.00 | 182407.00 | 115305.00 | 153407.33 | 109888.33 | 140767.00 | 204321.00 | 84773.67 | - | 81831.00 | 115681.50 | 119580.00 | 169140.00 | - | 127000.00 | 95658.00 | 61146.00 | ||
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ | - | - | 1030.00 | 1220.00 | - | - | - | - | - | - | - | 1678.00 | - | - | - | - | 1326.00 | 1147.00 | - | 1051.00 | - | - | - | 1028.00 | 1064.00 | - | 1104.00 | - | - | - | 1534.00 | 1219.00 | - | 1083.00 | - | 1231.00 | - | - | - | - | - | 1191.00 | - | - | - | - | ||
URATE (CAS# 69-93-2); (M+H)+ | 1166201.00 | 1338730.00 | 1145884.00 | 1537642.33 | 1009583.33 | 1411415.00 | 1643778.00 | 1652223.00 | 971506.00 | 1030881.00 | 1039021.50 | 1056118.67 | 908302.00 | 588861.00 | 861876.50 | 996606.50 | 1422242.00 | 1020610.00 | 1280670.00 | 976729.50 | 1464202.33 | 1136147.33 | 1348821.00 | 2226510.00 | 1137116.60 | 1262025.00 | 918372.40 | 1201941.00 | 815349.00 | 790880.00 | 1185199.33 | 1097960.33 | 1164163.00 | 1196413.67 | 1396439.50 | 1489256.50 | 752625.33 | 1515325.00 | 1019403.00 | 1170526.50 | 1049785.67 | 1395157.00 | 1380184.00 | 1234260.50 | 858364.00 | 1138555.00 | ||
URATE (CAS# 69-93-2); (M+NA)+ | - | - | 21947.00 | 17828.00 | 18997.00 | 13867.00 | - | 44055.00 | - | 20128.00 | - | - | - | 8081.00 | 18667.00 | 22406.00 | - | 16474.00 | - | 23694.00 | 26319.00 | 14770.00 | - | - | 24305.00 | - | 21981.50 | 19765.00 | - | - | - | - | - | - | - | - | 9518.00 | - | - | 25530.00 | 13773.00 | - | - | - | - | - | ||
URIDINE (CAS# 58-96-8); (M+H)+ | - | 10118.00 | 5134.33 | 9603.67 | 6411.33 | 9019.67 | 6256.00 | 9155.00 | 1166.00 | 8522.33 | 3111.00 | 5976.00 | 9907.00 | 4606.00 | 5047.67 | 5037.00 | 8334.50 | 6145.50 | 5008.00 | 7393.50 | 5704.00 | 6414.33 | 4232.00 | 12566.00 | 7043.75 | 17645.00 | 8483.40 | 7662.00 | 7015.00 | 2228.00 | 7150.67 | 7120.33 | 3982.50 | 9158.67 | 10689.50 | 5733.50 | 5037.50 | 16231.00 | 3792.00 | 5863.00 | 4928.67 | 14659.00 | 4746.00 | 14020.00 | 9728.00 | 7603.00 | ||
URIDINE (CAS# 58-96-8); (M+NA)+ | 66990.00 | 131707.00 | 46932.00 | 63044.00 | 39208.33 | 47325.00 | 21892.00 | 46116.00 | 30726.50 | 52855.67 | 45787.50 | 48180.67 | 83413.00 | 30022.00 | 46327.50 | 34127.50 | 50324.50 | 36075.25 | 30914.50 | 53129.00 | 36557.67 | 44366.00 | 54876.00 | 49242.00 | 61659.80 | 46338.00 | 53073.80 | 32210.00 | 51120.00 | 21654.00 | 56593.33 | 45152.00 | 46726.33 | 52124.00 | 63701.50 | 71472.00 | 35013.33 | 95436.00 | 33934.00 | 46491.00 | 42387.33 | 74690.00 | 38754.00 | 74412.00 | 56887.00 | 40116.50 | ||
UROCANATE (CAS# 104-98-3); (M+H)+ | - | - | 2082.00 | 6468.00 | 8744.00 | 7300.00 | 6721.00 | - | 14289.00 | 22142.00 | - | 8750.33 | - | - | 8324.00 | - | - | 5123.50 | 8950.00 | 5261.00 | 15247.00 | 14824.50 | 19327.00 | 5442.00 | - | 14609.00 | 5661.50 | 19894.00 | 2223.00 | - | 12210.00 | 1551.00 | - | 13782.00 | 39139.00 | - | 2786.00 | 18748.00 | 9493.00 | 13466.00 | 11648.00 | 7207.00 | 8867.00 | 2462.00 | - | 21370.00 | ||
UROCANATE (CAS# 104-98-3); (M+NA)+ | - | - | - | - | 1058.00 | - | 1467.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
URSODIOL (CAS# 128-13-2); (M+NA)+ | 40984.00 | 73004.00 | 32348.67 | 48112.00 | 26481.00 | 51105.50 | - | - | 47636.00 | 52473.00 | 27173.00 | 40149.00 | 22771.00 | - | 58480.67 | - | 27195.00 | 38935.67 | 26173.00 | 44939.00 | 39505.50 | - | 42514.00 | - | 59081.67 | 43215.00 | 36536.50 | - | 17937.00 | 50766.00 | 44070.00 | 24236.00 | 64481.00 | 22300.00 | - | 32767.50 | 40112.00 | 29334.00 | 30182.00 | 13535.00 | 34909.00 | - | 38756.00 | 36272.00 | - | 67882.00 | ||
VALINE (CAS# 72-18-4); (M+H)+ | 2160950.00 | 2120463.00 | 2289574.00 | 2177361.33 | 1685466.33 | 2402902.33 | 1572089.00 | 1583418.00 | 2107713.50 | 2326540.33 | 2433788.00 | 1938713.00 | 2490808.00 | 1450463.00 | 1697562.50 | 2553064.00 | 2243259.50 | 1667552.75 | 2101501.00 | 1994911.00 | 2216179.67 | 2074111.67 | 2575784.00 | 3466314.00 | 2497590.80 | 1842625.00 | 1985934.00 | 2372184.00 | 1002533.00 | 971065.00 | 2554765.33 | 2148922.33 | 2259906.00 | 2584831.67 | 2481954.00 | 3504927.00 | 1547838.00 | 2564089.00 | 1448257.50 | 2041632.50 | 1875523.33 | 3065212.00 | 1451123.00 | 2774459.00 | 1633499.00 | 1855279.50 | ||
VALINE (CAS# 72-18-4); (M+NA)+ | 86427.00 | 20196.00 | 24154.67 | 17262.67 | 28448.67 | 16657.33 | 11120.00 | 13812.00 | 12852.00 | 16572.00 | 40476.00 | 26407.33 | 20403.00 | 12147.00 | 17827.75 | 20958.00 | 18324.00 | 13036.75 | 18946.50 | 16734.50 | 17144.33 | 16111.67 | 24137.00 | - | 19184.50 | 12784.00 | 19661.60 | 17585.00 | 14346.00 | 10016.00 | 15328.00 | 13710.00 | 14610.33 | 18467.00 | 21432.00 | 15440.50 | 11524.33 | 26456.00 | 23208.00 | 18137.00 | 17406.33 | 20143.00 | 11534.00 | 17852.50 | 12424.00 | 13773.50 | ||
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1011.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
XANTHINE (CAS# 69-89-6); (M+H)+ | 798060.00 | 1178963.00 | - | 222340.00 | 59757.00 | - | - | - | 57517.00 | 35165.00 | 68775.00 | - | - | - | 22312.00 | 31274.00 | - | 55611.33 | - | - | 96097.00 | - | - | - | 26116.00 | 78975.00 | 48158.67 | - | 17160.00 | - | - | 81436.00 | 45826.50 | 42501.00 | 66478.00 | 55483.00 | - | - | 44464.00 | - | 104006.00 | - | 54560.00 | - | - | - | ||
XANTHOSINE (CAS# 146-80-5); (M+H)+ | 20542.00 | 27186.00 | - | - | - | - | 1264.00 | 1807.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 1721.00 | - | - | 1130.00 | - | - | - | - | - | 1295.00 | - | - | - | - | 1104.00 | - | 2807.00 | - | - | - | - | - | - | - | - | ||
XANTHOSINE (CAS# 146-80-5); (M+NA)+ | 42651.00 | 78681.00 | - | 2055.00 | 1078.00 | 1755.00 | - | 1230.00 | - | 1741.00 | - | 2232.50 | 1111.00 | - | - | - | - | 1404.00 | - | 2189.00 | - | 3463.00 | - | 1562.00 | 1764.00 | - | - | - | - | - | 2068.50 | - | 1731.33 | - | 1686.00 | 1338.00 | 1036.00 | 2951.00 | - | - | - | 2385.00 | 2386.00 | 1005.00 | - | 1260.00 | ||
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ | - | - | - | - | - | - | - | - | 3328.00 | - | - | 4603.00 | - | - | - | - | - | - | 1003.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1605.00 | - | 1147.00 | - | - | - | - | - | - | - | - | - | - | ||
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9800.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ | 4507902.00 | 6081195.00 | 6078795.67 | 6099838.33 | 5279023.33 | 5741072.67 | 4212346.00 | 5025230.00 | 4882354.00 | 5068107.67 | 7653412.00 | 5249981.33 | 6455255.00 | 5048965.00 | 5663338.00 | 4396441.00 | 6118638.00 | 5788783.25 | 4953079.50 | 5414295.50 | 6586012.67 | 5773116.67 | 3489602.00 | 7678779.00 | 6369461.60 | 5606797.00 | 5126205.20 | 5216689.00 | 5088149.00 | 4639472.00 | 6124730.00 | 5526366.00 | 5646918.00 | 5548250.67 | 6599521.50 | 7201434.00 | 5343754.67 | 6862336.00 | 4403575.50 | 5083631.00 | 5743541.33 | 5927159.00 | 5862631.00 | 5816690.50 | 4271761.00 | 5227427.50 |
Factors:
F1 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F2 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F3 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F4 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F5 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F6 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F7 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F8 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F9 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F10 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F11 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F12 | CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F13 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
F14 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
F15 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
F16 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F17 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F18 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
F19 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F20 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F21 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F22 | CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F23 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F24 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F25 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F26 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F27 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F28 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F29 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F30 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F31 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F32 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F33 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F34 | CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F35 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N |
F36 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y |
F37 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F38 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F39 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N |
F40 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y |
F41 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F42 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F43 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N |
F44 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y |
F45 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N |
F46 | CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y |
F47 | CASE_CONTROL:POOLED | Chemotherapy:POOLED | Drug:POOLED | Race:POOLED | TIMEPOINT:POOLED | Tamoxyfen:- | Taxane:- |