Data for ST000695   

(Analysis AN001076): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47
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]
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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)+
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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)+
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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)+
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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]
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EPINEPHRINE (CAS# 51-43-4); (M+H)+
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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)+
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ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
- - - - - - - - - - - 2821.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
ESTRONE (CAS# 53-16-7); (M+H)+
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ESTRONE (CAS# 53-16-7); (M+NA)+
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ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+
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ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
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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)+
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GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+
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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)+
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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)+
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GLUTARATE (CAS# 110-94-1); (M+NA)+
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GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]
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GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
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GLYCINE (CAS# 56-40-6); (M+H)+
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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)+
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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)+
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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)+
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INDOLE (CAS# 120-72-9); (2M+NA)+
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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)+
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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)+
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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)+
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L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
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LANOSTEROL (CAS# 79-63-0); (M+NA)+
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LANTHIONINE (CAS# 3183-08-2); (M+NA)+
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L-ARGININE (CAS# 74-79-3); (M+H)+
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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)+
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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]
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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)+
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L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]
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L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]
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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)+
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LIPOAMIDE (CAS# 940-69-2); (M+NA)+
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LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
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L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+H)+
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L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)+
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LOPERAMIDE (CAS# 34552-83-5); (M+H)+
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LORATADINE (CAS# 79794-75-5); (M+NA)+
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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)+
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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)+
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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]
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N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+
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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)+
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N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+
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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)+
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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)+
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RIBOSE (CAS# 50-69-1); (M+NA)+
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(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ...
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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)+
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SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+
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(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
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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)+
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SERINE (CAS# 56-45-1); (M+H)+
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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)+
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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)+
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SQUALENE (CAS# 111-02-4); (M+K)+
1863.00 - - - - - - - 1353.00 - - - - - - - - - - - - - - - - - - 2012.00 - - - - - - - - - - - - - - - - - -
STACHYOSE (CAS# 54261-98-2); (M+NA)+
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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)+
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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)+
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TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
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TRIBUTYRIN (CAS# 60-01-5); (M+NA)+
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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:

F1CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F2CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F3CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F4CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F5CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F6CASE_CONTROL:Case | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F7CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F8CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F9CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F10CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F11CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F12CASE_CONTROL:Case | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F13CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y
F14CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y
F15CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y
F16CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F17CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y
F18CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y
F19CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F20CASE_CONTROL:Case | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y
F21CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y
F22CASE_CONTROL:Case | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y
F23CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F24CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F25CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F26CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F27CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F28CASE_CONTROL:Control | Chemotherapy:N | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F29CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F30CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:Black | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F31CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F32CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F33CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F34CASE_CONTROL:Control | Chemotherapy:N | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F35CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:N
F36CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:N | Taxane:Y
F37CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F38CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y
F39CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:N
F40CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:N | Taxane:Y
F41CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F42CASE_CONTROL:Control | Chemotherapy:Y | Drug:Exemestane | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y
F43CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:N
F44CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:3 Month | Tamoxyfen:Y | Taxane:Y
F45CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:N
F46CASE_CONTROL:Control | Chemotherapy:Y | Drug:Letrozole | Race:White | TIMEPOINT:Baseline | Tamoxyfen:Y | Taxane:Y
F47CASE_CONTROL:POOLED | Chemotherapy:POOLED | Drug:POOLED | Race:POOLED | TIMEPOINT:POOLED | Tamoxyfen:- | Taxane:-
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