Data for Pilot metabolomics study of aromatase inhibitor associated arthralgias (Study ST000695)

Reversed phase NEGATIVE ION MODE (Analysis AN001075): Average values per metabolite and experimental factor (Units:peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)... ME195601 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1133.00 - - - - -
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCO... ME195602 2124.00 - - - - 1522.00 - - - - - 1043.00 - - 2038.00 - - - 1094.50 - - - - - 2763.00 - 2549.50 - - - 2854.00 1414.00 3125.00 1491.00 - - - 1842.00 - - 3820.50 1546.00 - 1667.00 1915.00 -
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- ME195605 - 13833.00 - 24150.00 - 13201.00 - - - - - - - 20183.00 - - - - 28535.00 - - - - 18665.00 - - 22905.00 - - - - - - - - - - - - - - 23530.00 - - - -
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)... ME195606 24356.00 31629.00 47364.33 52457.00 21686.00 61157.00 69521.00 30667.00 33216.00 31890.00 43934.50 50934.00 100187.00 35762.00 24184.00 39785.50 60751.00 32052.25 48339.50 26609.00 37226.67 27722.33 77546.00 46141.00 44033.60 17229.00 47558.20 30252.00 18960.00 22594.00 35108.33 50298.33 25669.33 48179.33 35896.00 38019.00 22041.67 35626.00 33715.50 32102.00 20951.00 48694.00 48317.00 43737.00 74131.00 18534.00
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- ME195603 7187.00 - 9502.00 5018.00 8164.00 6147.67 2046.00 - 1819.50 5672.00 4004.00 3323.00 4669.00 - 3274.67 1151.00 - 6583.00 2707.00 - 10885.00 8522.00 1538.00 - 12536.50 10344.00 5798.50 1577.00 - - 6125.50 2913.67 10446.67 7564.00 11269.50 10152.00 2996.00 24672.00 - - 3635.50 3326.00 - 1556.00 - 6979.50
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)... ME195604 27316.00 44602.00 90455.00 97728.33 54172.67 90522.00 68948.00 33851.00 65870.00 70141.00 53674.50 78635.33 174682.00 71456.00 51984.25 57679.00 64414.50 61067.25 131257.00 34539.50 75521.67 46533.00 84835.00 62835.00 77190.60 43932.00 62283.20 65345.00 46571.00 71513.00 59924.67 94043.00 49632.33 99329.00 50789.00 99437.00 53824.67 101617.00 46348.00 59712.50 52163.00 93963.00 77568.00 53404.50 135012.00 51205.00
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- ME195607 19005.00 23506.00 27897.67 33749.67 14176.33 45074.33 78683.00 37510.00 36143.00 13711.33 42758.00 31711.67 55597.00 18109.00 15602.25 22468.50 38488.00 19575.75 50097.50 18492.50 23295.00 17742.33 5535.00 16809.00 32327.40 14293.00 27887.60 29902.00 13391.00 18155.00 11430.33 44922.67 14658.00 49096.67 12429.00 26637.00 14426.33 38359.00 21517.50 21937.00 7782.00 38603.00 52307.00 20286.50 73800.00 19398.50
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (... ME195595 - - - 64113.00 - 33456.00 - - - - - - 15786.00 20536.00 153470.00 - - 257959.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - -
1-METHYLADENOSINE (CAS# 15763-06-1); (M+... ME195596 3369.00 1968.00 - 2657.50 1661.00 1914.00 2756.00 1512.00 2374.00 1795.00 2748.00 3054.00 - - - 1019.00 2175.00 1685.67 1559.00 1778.00 - 2304.00 2398.00 - 2317.50 - - - - - 2197.50 2010.00 1329.00 2088.00 1945.00 - - 3465.00 1462.00 1583.00 1565.00 - 2397.00 1537.00 1054.00 1442.00
1-METHYLURIC ACID (CAS# 708-79-2); (2M-H... ME195597 - - - - - - - - - 3728.00 - - - - - - - 6594.00 - - - - - - - - - - - - - - - 1450.00 - - - - - - - - - 1588.00 - -
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)... ME195598 16278.00 8046.00 7938.67 16670.50 12168.67 9549.33 11541.00 12462.00 21279.00 20933.50 12611.00 26240.00 8552.00 1959.00 7549.50 8650.50 9948.50 37905.50 8249.00 11486.00 10650.00 13515.00 7385.00 3569.00 10506.67 13616.00 28646.50 9432.00 - - 15646.00 11149.50 23334.50 20548.00 - 5960.00 9554.00 5455.00 13348.00 5982.00 - 7455.00 20807.00 15193.00 7259.00 30175.00
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)... ME195599 261651.00 131574.00 38318.33 47616.33 37533.67 35456.67 9509.00 20642.00 82899.00 47383.50 49745.00 37199.33 46007.00 2037.00 17752.67 31771.00 31082.00 104487.75 19410.50 35114.00 39089.00 24417.50 193995.00 51858.00 44979.50 55854.00 47630.67 29066.00 4168.00 - 76876.33 28124.33 60297.67 88971.67 11370.00 23006.00 13993.50 13690.00 29955.50 21783.00 25228.50 16296.00 67012.00 51487.00 22385.00 52443.50
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (... ME195600 - - 1997.00 3853.00 1759.00 5229.50 11253.00 1685.00 6592.50 2752.50 5786.00 - 12554.00 3611.00 - - 5621.00 - - - 2856.67 - 5516.00 - 2140.00 - 2790.00 3535.00 - - 6860.00 6267.00 2834.00 7196.33 - 7499.00 5005.00 - 1102.00 5134.00 - - 4064.00 3081.50 6984.00 1201.00
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)- ME195616 - - - - - 1514.00 - - - - - - - 1156.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO... ME195617 - - - - - - - - - 1058.00 - - - - - 3224.00 - - - - - - - - - - 1803.00 - - - - - - - - - - - - - - - - - - -
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); ... ME195618 - - - - - - - - - - - - 1025.00 - - - - 6155.00 - - - - - - - - - 8062.00 - - - - - - - 2959.00 - - - - - - - - - -
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-... ME195593 - 22108.00 - - - - 30091.00 15640.00 5064.00 12918.00 18935.00 16828.00 - - - - 18119.00 - - - - - 8719.00 - 16956.00 - - - - - 12201.00 20513.00 - 20595.00 - - 4779.00 - 20538.00 - - 6214.00 - - - 18832.00
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL... ME195610 6011.00 15611.00 13784.67 13159.33 17479.00 13972.00 - - 16665.00 11507.67 17207.50 12891.33 19866.00 9552.00 17414.00 8041.50 14875.50 19795.25 9627.50 12529.50 11571.50 8259.67 11538.00 6726.00 18690.20 13687.00 17497.40 14459.00 23616.00 29170.00 16789.33 24357.67 13897.33 21297.00 14700.50 16771.50 17816.33 18961.00 23875.50 16690.00 17003.67 15366.00 19608.00 17032.00 13932.00 13604.50
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HC... ME195611 - - - - - - - - - - - - - - - - - - 1134.00 - - - - - - - - - - - - - - - - - - - - - - - - - - -
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)... ME195608 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 13586.00 - - - - - - - -
2^-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- ME195609 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1438.00 - - - -
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 402... ME195612 74752.00 128267.00 49718.67 123750.33 64933.00 143951.33 102987.00 93024.00 193702.00 80565.33 112769.00 118604.67 105145.00 77907.00 38531.75 187385.00 86984.00 69568.50 401045.00 79841.50 104648.67 93823.67 - 154348.00 87992.20 - 58703.40 75724.00 89029.00 113838.00 104538.33 145637.00 69927.67 172804.00 107082.00 56252.50 45524.67 103112.00 130482.50 57561.50 62712.33 3440.00 76850.00 113520.50 46865.00 91687.50
2-HYDROXYBUTYRATE (CAS# ); (M-H)- ME195613 - - - - - - - - - 2216.00 - - - - - - - - - - - - - - - - 2115.00 - - - - 7003.00 - - - - - 17514.00 12309.00 - - - - - - -
2-METHYLGLUTARIC ACID (CAS# 18069-17-5);... ME195614 6791.00 7060.00 5507.00 7462.50 5245.00 - 5880.00 9869.00 7961.00 5196.50 7954.00 5056.00 6400.00 5065.00 4902.25 5894.00 7560.00 6944.00 8016.00 4729.00 8895.00 8964.00 11584.00 9213.00 10664.25 4711.00 6166.25 - 5534.00 6571.00 6496.67 10046.50 10145.00 8473.33 10419.00 3273.00 6340.33 - 8523.00 3900.00 10818.00 11551.00 6243.00 6423.00 - 4490.00
2-METHYLMALEATE (CAS# 498-23-7); (M-H)- ME195615 7349.00 9468.00 7137.00 13124.67 9262.00 10897.50 - - 7510.50 8205.67 3248.00 9931.00 - - 22406.00 20295.00 4539.50 8043.00 16012.00 - 4974.00 6344.00 5323.00 - 7950.50 - 6068.50 6840.00 - 3874.00 16182.50 8266.50 9752.00 8903.33 31755.00 5825.00 6349.00 5991.00 20934.00 - 13355.50 5097.00 - 6349.00 - 5778.00
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-... ME195619 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 5434.00 - - - 5517.00 - - - -
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98... ME195620 9994.00 14302.00 7206.00 11230.67 9157.67 11476.67 21526.00 14247.00 12380.50 7246.67 10179.50 9063.00 15112.00 9733.00 4273.00 6455.00 8525.50 8110.00 9444.50 5811.00 7378.33 6015.67 8998.00 5840.00 8602.60 7497.00 5411.00 9028.00 6858.00 5197.00 10271.67 14313.50 13317.50 9932.33 10515.00 5191.00 9125.00 5987.00 10939.00 7208.50 6367.00 9504.00 7723.00 10061.50 3913.00 7318.50
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571... ME195621 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2802.00 - - - 3632.00 - - - - -
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFA... ME195628 90092.00 100489.00 107046.67 343497.00 116487.67 331504.67 224918.00 191378.00 104588.00 155102.67 67197.50 281881.33 445249.00 366730.00 136221.75 645095.50 213288.00 150460.25 761016.00 244326.00 742321.33 655763.67 212075.00 156682.00 259121.60 235190.00 262648.60 331615.00 127048.00 173267.00 315600.00 237012.67 208412.67 245154.00 195503.00 364143.50 97683.00 471362.00 246086.50 418807.00 128196.67 401875.00 198699.00 91914.50 176142.00 86515.50
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49... ME195622 50721.00 45023.00 8728.33 22627.67 10980.00 19245.00 - 24468.00 23997.00 16178.00 16531.00 26079.00 18298.00 8992.00 11292.00 33083.00 23129.50 11640.33 24271.00 22090.00 12363.50 24226.00 35954.00 36106.00 22110.33 - 16760.40 15906.00 13657.00 7301.00 28119.67 22579.00 11503.67 34262.67 20438.00 15058.50 8759.67 33095.00 17836.50 10032.00 14012.50 33850.00 7746.00 21722.50 12092.00 14507.50
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (... ME195623 5047.00 5096.00 3831.00 4226.50 1448.00 4254.00 11702.00 6752.00 2749.00 4183.00 3726.00 2974.00 2286.00 1526.00 3099.00 5143.00 3539.50 3091.50 - 2426.00 2961.00 3326.00 2770.00 1911.00 4265.75 3086.00 4068.00 - - - 3355.00 3144.67 - 3869.00 2130.50 1869.00 4991.00 5490.00 4227.50 2825.00 4239.67 9604.00 2239.00 4420.00 - 1433.00
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); ... ME195624 8987.00 2708.00 4056.50 - 2991.00 5582.00 17731.00 - - - - 3730.00 13233.00 - - 7758.00 1842.00 9925.00 9598.00 5723.00 8031.00 4866.00 - - 2612.00 - 6103.67 1649.00 4223.00 - 3392.50 20138.00 - - 9392.00 - 8212.00 23462.00 11239.50 1112.00 7662.00 10602.00 - - - -
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M... ME195625 6791.00 7060.00 5507.00 7462.50 5245.00 - 7252.00 9869.00 7961.00 5196.50 7954.00 5056.00 6400.00 5065.00 4767.00 7387.00 7215.00 6944.00 8016.00 4729.00 8895.00 8964.00 11584.00 9213.00 10342.50 4711.00 6166.25 - 5534.00 6571.00 6496.67 10046.50 10145.00 8564.67 10419.00 3273.00 6340.33 - 8523.00 3900.00 10818.00 11551.00 6243.00 6423.00 - 4490.00
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)... ME195626 261651.00 131535.00 38318.33 36583.00 29735.33 23735.00 9509.00 20642.00 83304.50 42097.50 46182.00 37199.33 46007.00 2037.00 15166.00 20705.50 31082.00 103804.75 17909.00 37781.00 27533.50 34912.50 193995.00 49616.00 32847.25 55854.00 47630.67 29066.00 4168.00 - 86041.33 12672.00 59850.67 55481.33 9752.50 7796.00 13993.50 13690.00 14392.50 13455.00 25228.50 10789.00 11371.00 51487.00 17564.00 53057.50
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M+C... ME195627 - - - - - 2948.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (... ME195629 9674.00 11363.00 4847.00 4939.50 1209.00 5148.00 9504.00 9107.00 6351.00 9542.00 - 6540.50 - - 3143.00 2156.00 - 4869.50 3855.00 6048.00 7213.00 5254.00 10157.00 - 5386.50 - 7511.00 2713.00 - - 3472.00 7065.00 4604.50 5515.50 3905.00 4551.00 - 19431.00 6515.00 - - 10382.00 - 4590.00 - -
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0... ME195630 - 426337.00 344006.67 411066.00 210120.50 1149883.00 237808.00 312148.00 - - - 2488.00 - - 171559.00 - - - - 86354.00 - - - - 12111.00 - 252380.00 - - - 553423.00 - 107516.00 11637.00 - - 34087.00 - - - 194958.50 - - - - -
4-COUMARATE (CAS# 501-98-4); (M-H)- ME195631 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2496.00 - - - - - - - - - - - - - - -
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRY... ME195632 - - - - - 1395.00 7256.00 3431.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2816.00 - - - -
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (... ME195633 5047.00 5096.00 3831.00 4226.50 1448.00 4254.00 11661.00 6752.00 2749.00 4183.00 3726.00 2974.00 2286.00 1526.00 3099.00 5143.00 3549.00 3088.00 - 2426.00 2961.00 3326.00 2770.00 1911.00 4265.75 3053.00 4068.00 - - - 3355.00 3152.33 - 4135.00 2130.50 1869.00 4918.00 5490.00 4227.50 2825.00 2780.33 8883.00 2239.00 4084.50 - 1433.00
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- ME195634 2459.00 - - - - - 16472.00 2587.00 2193.00 - - - - - - - - 1517.00 - - - - - - - - - - 1631.00 - - - - - 1623.00 - 5307.00 3693.00 1548.00 - 3054.50 9105.00 - - - -
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); ... ME195635 - - - - - - - - - - - - - - - - 2564.00 - - - - - - - - - - - - - 1765.00 - - - - - 7377.00 - - - - - - - - -
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0)... ME195636 449196.00 345055.00 247320.67 298984.00 223842.67 350022.67 293316.00 161094.00 341323.50 213308.67 258149.00 264933.00 357890.00 163569.00 189956.50 309517.50 336115.00 266509.75 491112.50 269877.50 235982.00 244048.00 275724.00 301586.00 318158.00 359274.00 197010.00 363455.00 210012.00 237230.00 264264.33 402646.33 193063.00 358700.00 289045.00 225470.00 202510.33 453171.00 277546.00 216586.50 250537.33 457579.00 301175.00 339860.50 148991.00 259811.00
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-... ME195637 449196.00 345055.00 247320.67 298984.00 223842.67 350022.67 293316.00 161094.00 341323.50 213308.67 258149.00 264933.00 357890.00 163569.00 189956.50 309517.50 336115.00 266509.75 491112.50 269877.50 235982.00 244048.00 275724.00 301586.00 318158.00 359274.00 197010.00 363455.00 210012.00 237230.00 264264.33 402646.33 193803.33 358700.00 289045.00 225470.00 202510.33 453171.00 277546.00 216586.50 250537.33 460270.00 301175.00 339860.50 148991.00 259606.50
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- ME195638 - - - - - - - - - - - - - - - - - - - - - - - - 1002.00 - - - - - - - - 1005.00 - - - - - - - - - - - -
4-NITROPHENOL (CAS# 100-02-7); (M-H)- ME195639 5348.00 5755.00 12321.50 7843.00 5535.00 5890.67 5282.00 2858.00 4915.00 - 5467.50 4793.00 6439.00 - 4279.50 4287.00 6745.50 8899.00 4450.00 3881.00 5620.33 4591.33 5278.00 7229.00 5912.50 - 5098.50 5881.00 - 5286.00 4639.33 5554.67 4616.33 7965.67 5247.50 - 6162.67 6026.00 6909.50 5255.00 7531.33 6614.00 - 5635.50 2402.00 4105.50
4-NITROPHENYL PHOSPHATE (CAS# 330-13-2);... ME195640 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 3088.00 - - - - - - - -
4-PYRIDOXATE (CAS# 82-82-6); (M-H)- ME195641 63074.00 15506.00 18664.00 10508.67 13816.33 19168.33 15972.00 8729.00 9387.00 63205.67 12307.00 14073.67 3541.00 - 7265.33 66634.00 10507.50 13642.25 51288.50 11593.00 6365.33 10885.00 17673.00 - 118472.60 11201.00 17356.50 6089.00 - 5205.00 15834.67 30623.00 18806.00 22807.33 60021.50 54225.00 16045.00 85521.00 101594.00 4350.50 12268.33 36553.00 6230.00 47956.00 - 10315.00
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+H... ME195642 - - 1090.00 - - - - - - 1234.00 - - - - - - - - - - - - - - - - 1087.00 - - - - - - - - - - - - - - 2039.00 - 1861.00 - -
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (... ME195646 - - - - - - - 2592.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); ... ME195645 - 619557.00 66093.00 - - - - - - - - - - - - 742905.00 - - 9983.00 - - - - - - - - - - - - 3880.00 - 306901.00 - - 277680.00 - - - 254643.00 - - - - -
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2... ME195647 - - - - - - - - - - - - - - - - - - - - - - - - - - 1345.00 - - - - - - - - - - - - - - - - - - -
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9);... ME195643 - 2371.00 3669.50 2745.00 4167.00 2786.50 4192.00 4517.00 2842.00 1596.50 1581.00 2336.00 - - 1500.00 1974.00 2848.00 2875.00 2639.00 - 3993.00 4456.00 - 1142.00 3122.75 2448.00 1660.00 2505.00 2127.00 - 2042.00 3769.50 2378.50 1811.50 1788.50 1596.50 2674.00 2676.00 1426.00 1524.00 2490.00 2511.00 2398.00 3210.00 1378.00 2356.00
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9);... ME195644 1243.00 - 1608.00 - 1898.00 1637.00 1359.00 1439.00 1083.00 - 1166.00 1629.00 - - - - - 1470.00 1215.00 - 1517.00 1802.00 1324.00 - 1042.00 1126.00 - - - 1325.00 1023.00 1538.50 - - - - - - - - 1599.00 - - - - -
5-OXOPROLINE (CAS# 4042-36-8); (M-H)- ME195648 95206.00 61188.00 27735.00 54184.00 41506.00 40904.67 52839.00 38381.00 60639.50 43797.33 62585.00 45133.00 65215.00 28129.00 36146.50 42736.50 49577.00 55723.75 75513.50 35302.50 44543.33 41033.00 64348.00 27278.00 60251.60 64821.00 58402.00 46628.00 25688.00 30653.00 60515.00 72229.00 57465.50 74557.67 43118.00 58605.50 43311.67 64361.00 58530.00 40386.00 36335.00 82086.00 41321.00 48953.50 26806.00 38632.50
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO... ME195649 4400.00 7143.00 - 4760.00 - 4499.50 - - 1809.50 - - 4023.50 - - - - - 2041.00 - - - 4543.00 2368.00 - 2645.00 4439.00 1133.00 - 1633.00 - 2007.67 - 3059.00 4290.50 - - 4570.00 - 1084.00 2008.00 - - - 2868.00 - -
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-... ME195650 - - 12802.00 - - 6153.00 - - - - - - - - - - - - - - - - - - - - 13458.00 - - - 3895.00 - - - - - - - - - 4963.00 - - - - -
ADIPIC ACID (CAS# 124-04-9 ); (M-H)- ME195651 6791.00 7060.00 5507.00 7462.50 5245.00 - 7252.00 9869.00 7961.00 5196.50 7954.00 5056.00 6400.00 5065.00 4902.25 7387.00 7560.00 6944.00 8016.00 4729.00 8895.00 8964.00 11584.00 9213.00 10664.25 4711.00 6166.25 - 5534.00 6571.00 6496.67 10046.50 10145.00 8929.00 10419.00 3273.00 6340.33 - 8523.00 3900.00 10818.00 11551.00 6243.00 6423.00 - 4490.00
AHBA (CAS# 76045-71-1); (M-H)- ME195652 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2802.00 - - - 3632.00 - - - - -
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] ME195653 50224.00 45935.00 12366.00 23087.00 10835.00 20261.00 - 24468.00 26518.00 16225.00 16012.00 23194.50 18298.00 8992.00 11115.00 34977.00 23064.50 11640.33 16887.50 22090.00 10437.00 24226.00 35843.00 36106.00 23069.00 - 16049.20 15906.00 13531.00 7301.00 28140.67 19819.33 12941.00 34367.67 11679.50 15126.50 8755.33 33641.00 22390.00 10032.00 11520.33 33850.00 3448.00 22627.50 10562.00 17771.50
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-6... ME195654 - - - - - - - - - 2216.00 - - - - - - - - - - - - - - - - 2544.00 - - - - 7003.00 - - - - - 17514.00 12309.00 - - - - - - -
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M... ME195655 - - - - - - - - - - - - - - - - - - 19054.00 - - - - - - - - - - - - 6939.00 - - - - - - - - - - - - - -
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M... ME195656 629234.00 - 637669.33 663125.00 674317.33 760292.00 730858.00 480635.00 761785.00 716729.67 754069.00 716663.33 685075.00 540130.00 545941.25 624065.50 827891.50 798162.00 1040399.00 607325.50 696708.00 718621.33 583087.00 575283.00 605128.20 664587.00 664456.20 740113.00 532336.00 628101.00 665280.67 876336.67 668869.00 1032056.67 599092.50 674056.00 582909.67 885048.00 766778.00 684785.50 660201.00 602257.00 582708.00 582042.00 - 789972.50
ARABITOL (CAS# 7643-75-6); (M+HCOO)- ME195657 61935.00 27918.00 8199.50 4150.50 11878.50 5555.67 4347.00 9089.00 10018.00 5987.00 7050.00 6799.00 - - 7196.50 2384.00 6659.00 20967.00 3367.00 - 3035.50 - 8533.00 2654.00 4860.00 5592.00 - 3913.00 - - 6439.50 4741.00 8736.00 9055.50 2144.00 2655.00 - - 7536.00 3975.00 - - - 2840.00 - 5480.50
ARACHIDIC ACID (CAS# 506-30-9); (M-H)- ME195658 15017.00 13790.00 12684.33 13550.33 8635.67 22114.33 23154.00 10290.00 18024.00 12603.67 18896.50 15023.33 25770.00 10007.00 11306.25 12599.50 25997.00 19240.00 24327.50 10320.50 13464.00 11131.00 17310.00 13241.00 18093.00 15050.00 18941.80 14997.00 14422.00 15888.00 12752.33 23524.33 14080.33 32575.67 10706.50 17022.00 9847.67 22589.00 20390.00 19386.00 13136.33 8873.00 17006.00 11352.50 27832.00 18506.50
ARACHIDONATE (CAS# 506-32-1); (M-H)- ME195659 732036.00 774658.00 415236.67 701136.67 453196.33 615213.67 827149.00 643733.00 562266.00 628500.67 581713.50 614547.33 878153.00 581782.00 421777.75 525016.00 778269.00 596930.50 758627.00 608979.00 531001.67 501390.00 723928.00 606770.00 485592.00 882625.00 524942.60 764433.00 539333.00 565767.00 710327.33 869553.67 665138.67 891860.33 410335.50 701169.00 571315.00 841967.00 542320.50 610155.00 581686.33 925395.00 706374.00 594728.00 714435.00 749387.50
AZELAIC ACID (CAS# 123-99-9); (M-H)- ME195660 6544.00 7553.00 4299.50 6321.00 5375.50 6615.67 7171.00 6272.00 7688.00 6931.50 6241.00 4925.50 6542.00 5748.00 6188.25 8727.00 6211.50 6539.00 2654.00 5100.00 5329.33 5405.00 5128.00 3791.00 6161.60 - 5594.25 6987.00 - 5723.00 10177.00 5662.33 5829.00 5840.50 5353.50 4986.00 8076.67 7969.00 4549.00 5689.00 5875.33 7967.00 4010.00 4909.50 3468.00 7302.00
BEHENIC ACID (CAS# 112-85-6); (M-H)- ME195661 8034.00 9466.00 14040.33 11391.67 6645.67 21835.33 22457.00 8406.00 17021.00 9885.00 15042.00 15310.00 27030.00 9855.00 8290.75 14000.00 20943.50 11525.75 25152.00 7544.50 10273.00 8507.00 13925.00 9897.00 23765.00 14279.00 13857.80 13862.00 12227.00 12037.00 9044.00 24114.33 7499.00 28572.33 6923.50 15539.50 6243.00 11767.00 12778.00 14435.50 8681.33 12109.00 16655.00 15646.50 30109.00 16148.50
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- ME195662 - - - - - - - - - - - - - - - - 2564.00 - - - - - - - - - - - - - 1765.00 - - - - - 7377.00 - - - - - - - - -
BENZOATE (CAS# 65-85-0); (M-H)- ME195663 5047.00 5096.00 2985.00 4226.50 3385.33 4249.50 11661.00 6752.00 2802.50 4183.00 3523.00 2974.00 2286.00 1526.00 2295.00 5143.00 3549.00 3088.00 - 2426.00 2961.00 3343.50 2770.00 1911.00 4548.00 6723.00 4068.00 7846.00 - 3990.00 3355.00 3457.00 5712.67 6144.00 2130.50 1869.00 3239.00 5490.00 4459.00 2825.00 2780.33 8883.00 2239.00 4084.50 - -
BETA-CAROTENE (CAS# 7235-40-7); (M-H)- ME195664 - - - 1426.00 - - - - - - - - - - - - - - - - - - - - 5136.00 - - - - - - - - 1567.50 - 1911.00 - - 2109.00 - - - 3206.00 - - -
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H... ME195665 - - - - - - - - - - - - - - - - - - - - 1595.00 - - - - - - - - - - - - - - - - - - - - - - - - -
BETA-MALTOSE (CAS# 69-79-4); (M+CL)- ME195666 10624.00 12670.00 12813.00 7265.67 6983.00 6590.00 12836.00 8749.00 3874.00 11964.50 8526.00 3833.50 4936.00 5380.00 4457.25 - 2451.50 6326.00 3608.00 1467.00 8811.00 4274.33 4785.00 3674.00 8947.33 - 11230.25 2982.00 2484.00 2811.00 9920.00 2951.00 9147.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3306.00 1759.00 4015.00
BILIVERDIN (CAS# 114-25-0); (M-H)- ME195667 - - - 3282.00 - 1745.00 - - 1457.00 1713.00 - - - - - - - 2661.00 1119.00 - - - - - - - 1212.00 - - - - 1325.50 - 1213.00 1985.00 3554.00 - - - 2657.00 - 2404.00 1041.00 1964.00 - 2600.00
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19... ME195668 - - - - - - - - - 1432.00 1067.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:... ME195669 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 9426.00 - - - - - - - - - - - -
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:... ME195670 - - - - - - 1652.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
CATECHOL (CAS# 120-80-9); (M-H)- ME195671 46471.00 21982.00 21034.33 33619.00 22256.67 30113.67 36496.00 17566.00 31951.00 40402.67 13356.00 37575.00 - 13888.00 23147.67 29646.50 25253.50 33573.50 54944.00 20632.50 14394.33 11236.50 34116.00 - 31790.20 105280.00 26147.33 12811.00 12640.00 17671.00 54007.00 12226.00 129685.00 42749.00 14044.00 17129.00 26723.67 27886.00 38781.50 13321.00 19118.33 19977.00 38915.00 21186.00 - 34883.00
CELLOBIOSE (CAS# 528-50-7); (M+CL)- ME195672 10624.00 12670.00 12813.00 7371.67 6983.00 6590.00 12836.00 8749.00 3874.00 11964.50 8526.00 3833.50 4936.00 5380.00 4554.75 - 2451.50 6354.00 3608.00 1467.00 8811.00 4274.33 - 3674.00 8947.33 - 11326.50 2982.00 2484.00 2811.00 9920.00 2951.00 9147.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3267.00 1759.00 4015.00
CHOLATE (CAS# 81-25-4); (M-H)- ME195673 - - - - - - - - 11178.00 - 4712.00 1000.00 - - 1019.00 - - - - - 6178.00 13320.00 - - 2451.00 - 2302.00 - - - - - - - - - - - - - 1600.00 - - - - -
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9);... ME195674 126385.00 93519.00 95477.00 113365.00 82992.33 198515.67 137299.00 50057.00 122680.50 103501.67 168235.00 162065.33 178160.00 53128.00 72537.50 113859.50 239807.00 145956.75 255775.00 94104.50 131974.00 128550.00 176344.00 94181.00 122581.20 70275.00 143722.00 77393.00 73206.00 78074.00 113683.00 219029.00 101497.67 344695.33 90465.00 145211.50 39918.67 275121.00 165767.50 166403.00 77674.33 92825.00 109774.00 118860.00 269210.00 179631.00
CIS-ACONITATE (CAS# 585-84-2); (M-H)- ME195675 30444.00 16927.00 - - - 1631.00 10525.00 - 9787.00 6383.00 - 5458.00 - - - 11236.00 - 3266.50 8207.00 - - - - - 4104.00 - 2335.00 - - - 3967.00 13172.00 - 6710.00 8158.00 - 2531.00 - 7950.00 - - 4153.00 - - - -
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)... ME195676 3615605.00 3069592.00 3083343.33 3291918.33 3568206.00 3605381.33 3707729.00 2542786.00 4097076.00 3577132.33 3888976.00 3491684.33 2997027.00 2621424.00 2711378.25 2948818.50 4219867.00 4577482.00 5007165.00 3116642.50 3481249.67 3310481.67 3144757.00 2939565.00 3199863.20 3616753.00 3312278.60 3588089.00 2736228.00 3407322.00 3507604.00 4510438.00 3289778.67 5239381.33 2945039.50 3410791.00 2845591.33 5112100.00 4273375.00 3691392.00 3408478.67 3320771.00 3139307.00 3156727.00 3561656.00 4167562.00
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- ME195677 1193332.00 1179153.00 1018868.00 1224999.00 1069710.00 1258606.33 1245121.00 1119446.00 1143811.50 997521.67 1358309.50 1071528.33 1411894.00 1236517.00 1030920.75 968818.00 1313945.00 1380959.50 1091510.00 968091.50 1276564.33 1081318.67 1360528.00 1241684.00 1215893.00 1428373.00 940854.00 1251289.00 1117671.00 1285278.00 1163460.00 1244617.33 990062.33 1253923.00 1186779.00 989753.00 1187229.00 1368732.00 1320082.50 985793.00 1248240.33 1426999.00 1119376.00 1147567.00 821837.00 1088536.00
CIS-ZEATIN (CAS# 1637-39-4); (M-H)- ME195678 1898751.00 1979716.00 1527173.67 1803733.67 1688041.67 1946775.00 1763369.00 1645516.00 1608056.50 1531682.00 1894383.50 1647251.00 2191503.00 1884796.00 1547728.50 1445681.50 1985840.00 2129989.00 1709185.00 1479315.00 2036830.67 1680593.00 2024144.00 1843586.00 1853464.40 2238284.00 1412318.40 1986221.00 1714270.00 2061792.00 1803660.33 1888226.33 1606607.67 1901822.33 1748118.00 1468451.00 1902647.00 2100439.00 2058565.00 1578801.50 1952605.00 2246055.00 1674104.00 1804857.50 1272381.00 1638996.00
CITRAMALATE (CAS# 2306-22-1); (M-H)- ME195679 22549.00 22121.00 - 3785.50 - 3392.50 - - 9380.50 31505.00 2944.00 13003.00 - - - - - - 27005.00 - - 3975.00 - - 9546.67 - - - - - 7348.00 9814.00 - 6106.00 2293.00 - - 21412.00 13665.00 - - 4142.00 12026.00 - - -
CITRATE (CAS# 77-92-9); (M-H)- ME195680 95511.00 120431.00 10476.00 20118.33 15308.00 35593.67 67286.00 46881.00 70403.00 25644.00 24796.00 38242.33 12760.00 1325.00 22097.67 34648.50 23752.00 15593.50 31466.50 24412.00 19869.00 28574.00 25117.00 7875.00 33759.20 10254.00 57662.33 27566.00 38060.00 9227.00 39801.33 30057.00 45149.00 50617.00 40181.50 25935.50 11408.00 51740.00 31505.50 10750.50 8202.67 9719.00 19966.00 45278.50 21462.00 34329.00
CITRULLINE (CAS# 372-75-8); (M-H)- ME195681 - - - - - - - - - - - - - - - - - - - - - - - - 1587.00 - 5915.00 - - - 3007.00 3223.00 - - - - - - - - - - - - - -
CORTICOSTERONE (CAS# 50-22-6); (M+CL)- ME195682 - - 4716.00 - - - - - - - - - - - 1614.00 - - - - - - - - - - - - - - - - - - - - - - - - - 1133.00 - - - - -
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- ME195683 2124.00 - 7700.00 - - 1522.00 - - - - - 1028.00 - - 3062.00 - - - 1059.00 - - - - - 2893.00 - 2788.00 - - - 2854.00 1414.00 2602.00 1491.00 - - - 1842.00 - - 3820.50 1546.00 - 1667.00 1462.00 -
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+C... ME195686 - - - - - - - - - - - - - - - - - - - 1509.00 - - - - - - - - - - - - - - - - - - - - - - - - - -
CORTISOL (CAS# 50-23-7); (M+CL)- ME195684 85424.00 35186.00 33543.67 28297.00 38333.33 47064.67 39480.00 50544.00 48701.00 32571.00 35935.50 69384.00 20279.00 23411.00 47902.00 33773.00 33283.00 46663.00 71985.50 75230.50 25896.33 40966.67 41025.00 68098.00 47614.40 40779.00 51310.00 70411.00 39325.00 39715.00 59379.00 59601.33 36148.67 58570.67 30034.50 36050.00 25551.33 91484.00 40210.00 23388.50 51267.00 82553.00 64802.00 51274.50 85039.00 57566.50
CORTISOL (CAS# 50-23-7); (M+HCOO)- ME195685 328648.00 133125.00 119218.67 104366.33 142510.67 176775.00 150907.00 183233.00 189929.00 124990.33 133119.00 244006.67 81552.00 87638.00 168293.25 119108.50 125736.50 176421.75 255010.50 273457.50 100622.00 148828.67 167212.00 242950.00 174092.20 153156.00 186834.80 263355.00 146810.00 160758.00 215742.33 216656.67 142479.00 218797.00 110256.50 131567.00 96417.67 320753.00 146025.00 92749.00 194048.67 295421.00 246529.00 188913.50 290074.00 212199.00
CORTISONE (CAS# 53-06-5); (M+CL)- ME195687 21606.00 13829.00 14931.67 13733.67 18407.00 15714.67 12072.00 14651.00 20596.00 18313.67 17480.50 26275.67 14919.00 13097.00 19659.50 18687.50 19920.50 19124.75 25247.50 27242.50 13862.67 19786.00 15981.00 19089.00 20351.20 26610.00 18324.80 27737.00 21574.00 25560.00 20453.00 25703.67 16627.67 25340.67 17360.00 20198.50 14857.00 44146.00 23711.00 16595.50 19559.67 35992.00 29228.00 30338.50 26294.00 27507.00
CORTISONE (CAS# 53-06-5); (M+HCOO)- ME195688 47807.00 33984.00 33122.67 30805.33 41611.67 37138.67 25055.00 29903.00 52043.00 39588.33 39893.50 58441.67 34031.00 28858.00 42796.25 41656.50 45412.00 43899.50 55110.00 63608.50 33574.00 42039.33 37603.00 39282.00 45925.40 57246.00 42994.60 68815.00 46992.00 57081.00 47402.67 59049.67 35633.00 56641.00 39282.50 43913.00 34164.00 96912.00 55968.50 38183.00 45021.67 80921.00 67037.00 69683.50 56491.00 59369.00
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-1... ME195689 6544.00 6693.00 4299.50 6321.00 5375.50 6615.67 7171.00 6272.00 7688.00 6931.50 6602.00 4964.00 7414.00 5748.00 6450.50 5592.00 6486.00 6184.50 2654.00 5100.00 4933.67 5851.50 5128.00 3790.00 5954.20 - 5419.50 5976.00 - 5723.00 10805.33 5419.00 5829.00 5840.50 5353.50 4323.00 8076.67 7969.00 4901.50 4574.00 5576.33 6945.00 4010.00 4909.50 3468.00 6550.00
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HC... ME195690 46102.00 33373.00 10667.67 14704.33 13643.50 14846.33 9925.00 13400.00 16131.00 9689.67 13528.50 6873.33 6834.00 4674.00 8561.33 12025.50 9069.00 14218.75 8993.50 7369.50 10264.50 7159.50 31135.00 12934.00 14962.60 11625.00 20268.67 9769.00 9330.00 7834.00 11892.00 12212.00 13616.33 10953.00 6058.00 8140.00 6334.00 27379.00 13295.50 - 7507.33 10418.00 2845.00 10726.50 4533.00 6249.00
DECANOATE (CAS# 334-48-5); (M-H)- ME195697 6069.00 3418.00 2240.00 3200.00 3100.50 2904.33 3099.00 2519.00 4387.50 3195.00 3865.50 2682.00 2904.00 2907.00 2284.00 4042.00 2217.50 4526.50 3775.50 2910.00 2750.67 1044.00 2926.00 3112.00 3455.33 3734.00 3048.00 2628.00 - 2878.00 2454.00 2747.50 2947.50 4039.00 3816.00 2640.00 4462.33 4384.00 3929.50 2329.50 5153.33 3388.00 1868.00 1833.00 - 2778.00
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- ME195698 - - - - - 1631.00 - - - - - - - - - - - - - - - - - - 1878.00 - 9170.00 - - - - - - - - - - - - - - - - 2274.00 - -
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)... ME195699 16814.00 17027.00 16913.33 17092.00 14158.00 21660.50 12306.00 10283.00 20255.00 15947.00 18344.50 19473.33 24529.00 - 13726.00 16974.00 23921.50 17267.00 19043.50 20040.00 18336.33 18482.00 - 19043.00 17875.50 18482.00 13990.00 18350.00 17296.00 18624.00 23244.00 22816.33 16030.50 24389.33 21907.00 17052.00 10505.00 11281.00 20198.00 18179.50 15296.00 28462.00 19481.00 22399.00 18591.00 18380.00
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- ME195700 8532.00 14181.00 4084.00 7870.50 2909.00 9888.50 33103.00 - 24039.00 20397.50 10402.00 20550.00 - 3254.00 14372.75 26539.00 9266.00 9933.67 31052.00 21710.00 8453.00 35629.00 - - 11294.67 8989.00 4306.00 29602.00 - - 28893.33 - 28843.00 - - 5786.50 15062.00 38260.00 6402.00 - 10230.00 - - 18204.00 5629.00 14879.00
DEOXYURIDINE (CAS# 951-78-0); (M+CL)- ME195701 - 11285.00 6128.00 1989.00 13213.00 9738.50 - - 17749.00 10234.00 15331.00 15920.00 12444.00 5876.00 11495.00 9025.00 11417.00 8626.00 6291.00 15377.00 7601.50 17414.00 10921.00 - 12893.75 12673.00 11943.00 13926.00 - 4620.00 12667.00 6083.00 10647.00 18178.00 7757.00 13079.50 9101.00 21632.00 14626.00 14849.00 8416.50 18696.00 8086.00 14329.00 - 11194.00
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- ME195702 - - - - 27661.00 - 4256.00 - - - - - - - - - - 8011.00 - - - - - - 3037.00 - - - - - - - - - - - - 1341.00 - - - - - - - -
D-GALACTOSAMINE (CAS# 7535-00-4); (M-H)-... ME195691 - - - - - 2886.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
D-LYXOSE (CAS# 1114-34-7); (M-H)- ME195693 10510.00 18975.00 7695.00 10261.67 4868.00 12592.50 20741.00 13941.00 7645.00 32600.00 4103.00 9280.00 3280.00 - 7066.50 8735.00 3797.00 8714.50 19215.00 1454.00 3317.00 - 9942.00 - 11750.50 16118.00 11996.33 - - - 10791.00 6309.50 11742.50 13030.00 4859.00 - 8885.50 11255.00 14959.50 2077.00 4831.67 7169.00 - - - -
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- ME195692 43909.00 31266.00 11843.67 14704.33 13746.50 14846.33 9734.00 12801.00 16093.50 9689.67 13528.50 6873.33 6834.00 4674.00 8316.25 12025.50 7819.00 14571.50 8993.50 7369.50 10264.50 7159.50 31135.00 12934.00 14962.60 11625.00 20423.00 9769.00 9330.00 7869.00 10127.33 11794.67 13616.33 10984.00 6058.00 8140.00 6394.00 27385.00 13295.50 - 7507.33 10418.00 2845.00 10726.50 5805.00 6187.50
D-MANNOSAMINE (CAS# 14307-02-9); (M-H)-[... ME195694 - - - - - 2886.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); ... ME195703 391107.00 469129.00 284274.67 535181.67 280426.67 811481.33 481771.00 376637.00 303906.50 501920.33 343665.00 602058.67 537173.00 315243.00 258436.75 1049732.00 648735.00 403178.75 1172226.00 551586.00 607596.00 603165.00 503593.00 376318.00 446377.40 277902.00 415631.60 404325.00 493875.00 432892.00 507186.67 517344.00 611589.00 692904.00 492724.50 336856.00 345634.67 759108.00 902194.50 275697.00 465628.33 870079.00 288730.00 450595.50 429727.00 512533.50
D-PSICOSE (CAS# 551-68-8); (M+CL)- ME195695 953115.00 674813.00 385913.33 504986.00 502985.67 486990.33 397571.00 334749.00 599493.00 356907.67 569694.50 410722.00 441838.00 394757.00 409652.00 411086.50 466092.00 530691.25 474918.50 329153.50 544541.00 393268.33 861865.00 677320.00 531746.50 662751.00 490061.60 636555.00 401833.00 549932.00 467352.33 519732.67 567997.00 522686.00 381609.50 403625.50 460274.67 557244.00 528611.50 409450.00 474400.00 545111.00 382077.00 479607.50 261288.00 394133.50
D-TAGATOSE (CAS# 87-81-0); (M+CL)- ME195696 954601.00 674813.00 385913.33 504986.00 503009.00 487089.33 397571.00 333181.00 599177.00 356907.67 571475.50 411015.33 441838.00 391750.00 410320.00 412712.50 469500.00 530997.75 472985.50 329680.00 546355.00 393851.00 861865.00 677320.00 532168.00 662751.00 488810.60 636555.00 401833.00 549932.00 468528.00 521498.67 567997.00 520637.67 382791.50 403625.50 460408.33 561811.00 528611.50 409325.50 474400.00 545111.00 386164.00 479619.00 263558.00 394133.50
ELAIDIC ACID (CAS# 112-79-8); (M-H)- ME195704 3615605.00 3069592.00 3083343.33 3291918.33 3568206.00 3605381.33 3707729.00 2542786.00 4097076.00 3577132.33 3888976.00 3491683.67 2997027.00 2621424.00 2711378.75 2948818.50 4219072.00 4577482.00 5007165.00 3116642.50 3481249.67 3310481.67 3144757.00 2939565.00 3199863.20 3616753.00 3312278.60 3588089.00 2736228.00 3407322.00 3507604.00 4510438.00 3289778.67 5239381.33 2945039.50 3413243.50 2845591.33 5111860.00 4273375.00 3691392.00 3408478.67 3320771.00 3139307.00 3156727.00 3561656.00 4167562.00
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9)... ME195705 401509.00 412378.00 432217.33 444264.00 387644.00 429195.33 404868.00 363841.00 395805.50 395203.33 423552.50 415750.67 498744.00 480983.00 452588.00 403868.50 446960.50 473226.50 431752.00 401949.00 410299.33 422209.00 462854.00 501900.00 423091.60 425325.00 356388.00 425121.00 467665.00 506121.00 423423.67 380217.00 327672.00 402175.67 437302.00 430793.00 421192.67 616386.00 431199.50 395309.00 411096.67 443612.00 410393.00 411245.00 372108.00 399988.50
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9)... ME195706 2169317.00 2178868.00 2166927.00 2241175.67 1982228.33 2250961.00 2057727.00 1907743.00 2119545.50 2024726.00 2227900.50 2124529.33 2639093.00 2409132.00 2282199.25 2032260.00 2345514.00 2474802.00 2249468.50 2093192.50 2235238.00 2138016.33 2511428.00 2519030.00 2143879.40 2218409.00 1809995.20 2288794.00 2325710.00 2749264.00 2177228.67 1971623.33 1688666.67 2084459.00 2214214.00 2153374.50 2244856.67 3197586.00 2277685.00 2067824.00 2197004.67 2344337.00 2102770.00 2158559.00 1859091.00 2014583.50
ERUCIC ACID (CAS# 112-86-7); (M-H)- ME195707 5322.00 4761.00 5476.00 8136.00 5737.50 16440.00 12596.00 4026.00 7336.50 4570.33 7518.00 9641.67 12326.00 3233.00 3303.50 6344.50 13561.00 7102.25 11612.00 3952.50 5743.00 5380.67 10434.00 5381.00 7196.60 4022.00 7198.20 4901.00 3371.00 4509.00 4959.67 13754.33 13769.50 14704.33 3456.50 5103.00 2335.67 12886.00 9089.50 6053.50 3507.67 4543.00 4631.00 4896.00 14731.00 6953.50
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)... ME195708 - 3584.00 - 1786.00 3601.00 4045.00 - - 4205.00 3582.00 2241.00 3162.50 2495.00 - - - 1948.00 1741.00 - - - - 2052.00 - 4210.00 - - - - - - 3644.00 3178.00 5827.50 - - - - 3805.50 - 2692.00 4188.00 - - - -
FERULATE (CAS# 1135-24-6); (M-H)- ME195709 - - - 3107.00 - 3995.00 - - - 7270.00 - - - - - 1182.00 - - 3028.00 - - - - - 2839.00 6087.00 - - - - - - 3009.00 2004.00 - - - - 2530.00 - - - - - - -
FRUCTOSE (CAS# 57-48-7); (M+CL)- ME195710 953115.00 674813.00 385913.33 504986.00 503009.00 487089.33 397571.00 334749.00 599177.00 356907.67 571475.50 411015.33 441838.00 394757.00 409652.00 412712.50 469500.00 530997.75 476120.00 329680.00 546355.00 395295.33 861865.00 677320.00 532168.00 662751.00 488810.60 636555.00 401833.00 549932.00 468528.00 518615.33 567997.00 520637.67 382791.50 403625.50 460408.33 561811.00 528611.50 408701.50 474400.00 545111.00 386164.00 480361.50 263558.00 394133.50
FUMARATE (CAS# 110-17-8); (M-H)- ME195711 - - - 1074.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
GALACTURONIC ACID (CAS# 91510-62-2); (M-... ME195712 3896.00 2429.00 1085.00 2534.50 3195.00 8753.00 3116.00 4543.00 - - 2747.00 - 1746.00 - 4545.00 2711.50 - 3500.00 2120.00 - 2293.50 - 8019.00 - 5540.50 1444.00 4208.00 - - 1687.00 4736.00 2052.50 12578.50 1219.50 - 3048.00 11789.00 - - - 7263.50 - 1084.00 - - -
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M... ME195713 629234.00 - 637669.33 663125.00 674317.33 760292.00 730858.00 480635.00 761785.00 716729.67 754069.00 716663.33 691498.00 540130.00 545941.25 624065.50 824368.00 798162.00 1040399.00 607325.50 696708.00 718621.33 583087.00 575283.00 605128.20 664587.00 664456.20 740113.00 532336.00 628101.00 659564.33 876336.67 668869.00 1032056.67 599092.50 674056.00 582909.67 885048.00 766778.00 684785.50 660201.00 602257.00 582708.00 582385.50 - 789972.50
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); ... ME195714 2301.00 2852.00 3874.50 4994.33 16785.50 3832.33 3216.00 2052.00 3607.00 5743.00 3120.50 5131.67 14876.00 11551.00 6657.75 5444.00 10433.00 11489.25 5108.50 4606.50 3551.50 6010.00 - 2976.00 5573.00 2629.00 4900.25 - - 3770.00 4836.00 2578.00 5322.00 6380.33 4395.50 8513.00 4453.67 31845.00 5498.50 7070.00 5863.00 9114.00 3929.00 6833.50 3889.00 6095.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); ... ME195715 4416.00 5135.00 3165.00 4568.50 - 5241.00 - - 5218.50 4336.50 5576.00 6659.00 - 4525.00 6990.00 - 4277.00 5684.00 3866.00 4293.00 3912.00 4166.00 4425.00 4624.00 5761.33 - 5743.00 5404.00 4402.00 6439.00 6568.00 - 6197.00 5130.00 6347.00 - 5651.00 - 6088.00 - - - - - - 4602.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); ... ME195716 84871.00 83484.00 98186.33 87747.33 97243.67 89045.33 84248.00 72489.00 75263.00 76174.33 78616.00 87461.67 133089.00 103405.00 88173.50 82198.50 102565.50 124830.50 83061.50 80173.50 86603.67 83350.00 79439.00 82077.00 87662.40 98547.00 71533.60 87077.00 71351.00 99329.00 90381.00 96121.67 70969.33 100680.00 82397.50 94649.50 91491.33 164263.00 101664.00 94450.00 99521.67 112732.00 86025.00 99462.50 66861.00 87598.50
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2... ME195717 95511.00 85930.00 10612.00 29249.50 17096.00 51889.50 56401.00 46881.00 8434.50 22677.67 1553.00 4299.50 13091.00 1870.00 21313.67 - 25136.00 9485.00 31466.50 27562.00 19249.00 27272.33 28558.00 9875.00 16730.67 6752.00 37933.33 27566.00 36674.00 9227.00 38605.00 16940.33 45004.00 49025.00 11659.00 26642.00 11413.50 57340.00 17358.00 22237.00 8899.00 42325.00 - 45278.50 21065.00 22652.00
GLUCONIC ACID (CAS# 526-95-4); (M-H)- ME195718 46102.00 33373.00 10667.67 14704.33 11949.67 14846.33 9925.00 13400.00 16131.00 9689.67 13528.50 5517.00 6834.00 4674.00 7899.25 12025.50 9069.00 14218.75 8993.50 7369.50 9459.33 5990.00 31135.00 12934.00 14962.60 11625.00 20268.67 9769.00 9330.00 7834.00 11892.00 12212.00 13616.33 10953.00 6058.00 8140.00 5873.67 27379.00 13295.50 6013.50 7507.33 10418.00 2845.00 10726.50 4533.00 6249.00
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] ME195719 10624.00 12670.00 - - - 6603.00 - 8749.00 - 22365.00 8526.00 - 4936.00 - 2988.00 - 1691.00 3284.00 3608.00 1467.00 7824.00 3499.00 - 3674.00 8947.33 - 8219.50 3458.00 2484.00 2811.00 9920.00 2951.00 11017.50 7322.00 2608.00 8815.00 85965.00 10169.00 - 2352.00 23370.50 2805.00 - 3267.00 1759.00 4015.00
GLUCOSE (CAS# 50-99-7); (M+CL)- ME195720 954601.00 674813.00 385913.33 504986.00 503009.00 487089.33 397571.00 334749.00 599177.00 356907.67 571475.50 411015.33 441838.00 391750.00 410320.00 412712.50 469500.00 530997.75 472985.50 329680.00 546355.00 393851.00 861865.00 677320.00 532168.00 662751.00 488810.60 636555.00 401833.00 549932.00 468528.00 518615.33 567997.00 520637.67 382791.50 403625.50 460408.33 561811.00 528611.50 409325.50 474400.00 545111.00 386164.00 479367.00 263558.00 394133.50
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- ME195721 3896.00 2429.00 1085.00 2856.50 2633.00 8753.00 3116.00 4543.00 - - 2747.00 - 1746.00 - 4009.00 2711.50 - 3500.00 2120.00 - 2293.50 - 8019.00 - 5540.50 1444.00 3773.50 - - 1687.00 4736.00 2052.50 12578.50 1219.50 - 3048.00 11789.00 - 1478.00 - 7263.50 - 1084.00 - - -
GLUTAMATE (CAS# 56-86-0); (M-H)- ME195722 - 2643.00 - 4629.00 - 2170.00 - 4217.00 1598.00 - 1339.00 - - - - - - 1964.00 3194.00 - 1504.00 - - - 1717.00 - 3715.50 - 1877.00 - 2142.00 2826.00 - 2825.00 1100.00 - 2650.00 6405.00 - - 2052.00 3016.00 - - - -
GLUTAMINE (CAS# 56-85-9); (M-H)- ME195723 9117.00 4972.00 5800.50 - 8857.50 5778.00 - - 6889.00 4046.50 9343.00 4741.00 - - 5854.00 5349.50 - 4837.00 4233.00 - - 4020.00 - 6649.00 6167.00 - 5572.00 7253.00 - - 6730.00 6930.00 8398.00 5147.00 5320.50 6138.00 5088.00 - 6834.00 - 6700.00 - - - - 4636.00
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[... ME195724 50721.00 45023.00 5604.00 25363.00 7339.50 22189.00 - 24468.00 23997.00 14971.00 20085.00 - - - 13490.00 33083.00 - 5680.00 24271.00 - 21532.00 20610.00 - - - - 15873.33 - 13657.00 - 32662.50 11270.00 9654.50 33712.50 - 20781.00 13604.00 - 7219.00 10032.00 14012.50 33850.00 7746.00 21722.50 12092.00 14507.50
GLYCOCHOLATE (CAS# 475-31-0); (M-H)- ME195725 - - 5232.50 1533.00 13304.00 - - - 40655.00 2538.50 6640.00 1117.00 1221.00 - 1488.50 1590.00 6635.00 2572.00 1260.50 - 2229.00 - - - 2212.00 3636.00 - - - - 5525.00 3614.50 3587.00 - 2565.00 - 7290.00 - - - 29677.00 - - 2381.00 - -
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H... ME195726 4447.00 - - - - 1267.00 - - 1616.00 - - - - - - - - - - - - 1462.00 - - 1330.00 - - - - - 1885.00 2560.00 - 1003.00 - - - - - 3961.00 - - 3382.00 2000.00 - -
GUANOSINE (CAS# 118-00-3); (M+CL)- ME195727 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1412.00 - - - - - - - - - - -
GUANOSINE (CAS# 118-00-3); (M-H)- ME195728 6001.00 9060.00 - - - 2708.00 6436.00 7551.00 11662.00 - - - - 1914.00 - 1679.00 10985.00 4615.00 - 2332.00 - - - 7219.00 5180.00 - 5058.00 11302.00 - - 2321.00 - - - 1759.00 - - 2695.00 1857.00 - 2512.00 - 3325.00 1773.00 - -
HEPTADECANOATE (CAS# 506-12-7); (M-H)- ME195729 137937.00 132049.00 131399.67 146144.33 121010.33 164101.33 137260.00 75365.00 141088.50 142100.00 151368.50 146478.00 174864.00 87391.00 122406.50 115051.50 203722.50 193000.75 162271.00 122577.00 159093.00 147178.00 110868.00 90346.00 138276.80 115173.00 148829.40 188866.00 137122.00 143318.00 139415.00 249666.33 143667.67 252144.00 117510.00 131321.00 116259.00 198321.00 179998.50 146726.50 148969.33 125233.00 140626.00 111147.50 207712.00 172198.00
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)... ME195730 7625.00 11050.00 9105.67 10502.33 7278.00 10914.00 17414.00 10443.00 13731.50 6674.67 9586.00 10148.00 15084.00 10515.00 7173.00 8983.50 9745.50 10961.50 18798.50 7116.50 11083.00 7517.33 10468.00 12028.00 17258.00 9996.00 8246.20 9533.00 7842.00 12112.00 8011.00 15137.67 6024.67 11273.33 6856.00 11304.00 7089.67 9604.00 6751.50 9011.50 7692.00 8848.00 11621.00 9925.00 9009.00 10873.00
HIPPURATE (CAS# 495-69-2); (M-H)- ME195731 74919.00 89113.00 30363.00 14371.33 39258.67 23631.00 56571.00 17187.00 45495.50 295284.67 20054.00 40679.00 20735.00 47358.00 35101.00 109163.00 94729.50 133741.00 39387.50 132120.00 42394.67 25223.67 27695.00 10414.00 132171.20 64102.00 83176.40 45625.00 21061.00 19724.00 51211.33 163730.00 190216.00 45756.33 23917.50 25309.50 32636.67 521597.00 42254.00 32547.50 39831.67 43857.00 73037.00 24631.50 31405.00 133770.50
HOMOGENTISATE (CAS# 451-13-8); (M-H)- ME195732 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2024.00 - - - - -
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- ME195733 308659.00 299864.00 316232.33 251924.67 285861.00 1143308.67 333612.00 1414883.00 1437742.00 258025.00 801101.00 317044.00 550777.00 259475.00 261381.50 261559.50 373951.50 281617.25 143002.50 226582.00 291718.00 360552.00 256927.00 310096.00 320542.60 375838.00 341550.60 306403.00 243258.00 312816.00 276414.33 311723.33 741334.00 402282.33 229320.50 379239.50 288065.00 462010.00 286275.00 239327.00 272403.33 307051.00 310294.00 214901.50 250776.00 280288.50
HYPOXANTHINE (CAS# 68-94-0); (M-H)- ME195734 13976.00 28259.00 - - 50494.00 18150.00 15866.00 17924.00 53147.00 7454.00 22625.00 1573.00 50059.00 - - 22755.00 9750.00 - - 18399.00 17137.00 6326.00 9596.00 - 11438.00 18153.00 8127.00 5883.00 - - - 54569.00 - 11685.00 - - 11807.00 - 30302.50 - 6964.00 - - 19503.50 - 25285.00
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54... ME195736 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 12178.00 - - - - - - - - -
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54... ME195737 - - - - - - - - - - - - - - - - - - - - - - 1291.00 - - - - - - - - - - - - - - - - - - - - - - -
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54... ME195738 - 3657.00 - 2192.00 - - - - - - - - - - 4235.00 - 6927.00 - - - - - - - - - - - - - - - - - - 4850.00 27933.50 - - 2924.00 - - - - - -
IBUPROFEN (CAS# 15687-27-1); (M-H)- ME195735 - - - 4426.00 1153.00 - - - - - - 2542.00 - - 88496.00 - 23613.00 - 2940.00 - - - - - - - 2278.00 - - - - - - - - 10678.00 82589.50 - - 4995.00 - - - - - -
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- ME195739 - 1100.00 - 1165.00 - 1498.00 1104.00 - - - - - - 1009.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 2122.00
INOSINE (CAS# 58-63-9); (M+CL)- ME195740 - - 16245.00 11400.50 14114.33 20341.00 36425.00 25414.00 35622.00 19352.00 9293.00 7119.50 22490.00 24589.00 11174.00 12190.00 24180.00 24925.67 - 29120.50 8016.67 10076.00 23216.00 45592.00 19225.00 13041.00 28190.00 33801.00 13152.00 7317.00 18301.00 10733.00 1075.00 - 16434.50 - 8748.33 15333.00 27699.00 23198.00 13944.33 15397.00 24125.00 14403.00 - 19917.00
INOSINE (CAS# 58-63-9); (M-H)- ME195741 91381.00 106781.00 18059.67 17175.00 26043.00 27242.33 67646.00 48172.00 39853.00 21418.33 11864.00 13909.00 9990.00 43826.00 21120.67 29331.00 51805.50 49080.33 - 34964.00 15167.00 17190.00 35422.00 99203.00 23752.80 24543.00 23264.33 76086.00 11915.00 10438.00 27559.67 16349.33 6268.67 2909.00 32121.50 9380.00 15989.67 36105.00 29800.00 48253.00 29077.67 6951.00 51240.00 25876.00 6537.00 32759.00
ISOCITRATE (CAS# 320-77-4); (M-H)- ME195742 95511.00 120431.00 10863.67 20094.00 15308.00 51889.50 62564.00 46881.00 9907.50 25643.33 3951.50 37667.33 12558.00 1870.00 22394.00 35140.50 25136.00 15549.00 31466.50 26064.50 19732.50 27500.33 25070.00 7875.00 26148.20 10032.00 38031.67 27566.00 38060.00 9227.00 39801.33 16582.67 45149.00 50617.00 40181.50 26642.00 11413.50 54326.00 34274.50 22237.00 9131.33 - 19966.00 45278.50 21462.00 32747.00
ISOLEUCINE (CAS# 73-32-5); (M-H)- ME195743 - 4567.00 7559.00 15817.00 11440.00 9084.00 6848.00 6739.00 9155.00 11123.50 - 13776.00 13624.00 11451.00 5564.33 15590.00 10767.00 14043.33 10047.00 8192.00 17008.00 13000.00 - - 20897.50 11109.00 8508.67 - 14699.00 13877.00 18171.00 15267.50 8038.00 21243.50 7151.00 15945.00 8527.50 25338.00 7030.00 8925.00 10281.50 - - 14962.00 - 12358.00
ITACONATE (CAS# 97-65-4); (M-H)- ME195744 - 6901.00 7352.00 26884.00 - 14191.00 - - 1876.00 13466.00 - 5422.00 - - 22406.00 20295.00 3381.00 7648.00 16096.00 - - - - - 13567.00 1273.00 8770.00 - - - 25994.00 - 9231.00 10743.00 28541.00 - - - 36413.00 - 4046.00 - - - - -
JASMONIC ACID [ISTD] (CAS# 77026-92-7); ... ME195745 6834.00 7526.00 8041.33 7839.33 9307.00 8454.33 7148.00 5855.00 8271.50 7453.67 7556.00 7158.00 9592.00 10269.00 9201.00 7432.00 8497.00 8891.00 8118.00 6804.50 7925.33 8599.33 8379.00 8866.00 7721.00 8428.00 7966.67 6882.00 10648.00 12212.00 7497.00 7128.67 7201.50 7221.33 7805.00 8359.50 9616.33 23324.00 7956.00 7511.50 7153.67 9875.00 7326.00 7986.00 6486.00 7402.50
JASMONIC ACID [ISTD] (CAS# 77026-92-7); ... ME195746 446091.00 369245.00 339907.33 370419.33 364361.67 393826.67 434173.00 324380.00 433368.50 317530.00 382765.00 333304.33 430631.00 367928.00 359304.25 321465.00 416909.00 463338.00 359807.00 326256.50 407455.33 352591.33 451468.00 396879.00 345599.00 468655.00 308170.80 396137.00 362337.00 521518.00 392489.00 408074.00 305007.33 406958.00 350298.00 372881.00 389469.00 556632.00 434402.50 343471.00 382174.33 433657.00 390467.00 400981.00 286979.00 339912.00
KYNURENINE (CAS# 343-65-7); (M-H)- ME195747 - - - - - - - - - - - - - - - - - - - - - - - - 1101.00 - - - - - - - - - - - - - - - - - - - - -
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); ... ME195755 52099.00 44313.00 34673.67 41073.33 45687.67 44921.00 38385.00 30915.00 50362.50 46965.33 58906.50 51661.33 88940.00 50363.00 43937.00 35808.00 51557.50 62955.25 55750.00 35954.50 68485.50 46672.00 41140.00 37296.00 41586.20 60260.00 32451.40 46277.00 46340.00 65645.00 41572.33 55729.50 47333.00 54610.67 50647.00 39541.50 48737.67 44144.00 63458.50 46376.50 41516.67 48590.00 44342.00 42148.50 30487.00 45423.00
LACTOSE (CAS# 63-42-3); (M+CL)- ME195756 10624.00 12670.00 12813.00 7371.67 6983.00 6590.00 12836.00 8749.00 3874.00 12529.00 8526.00 3833.50 4936.00 5380.00 4554.75 - 2772.50 6538.00 3608.00 1467.00 8811.00 4274.33 - 3674.00 8947.33 - 11326.50 3458.00 2484.00 2811.00 9920.00 2951.00 9147.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3267.00 1759.00 4015.00
LACTOSE (CAS# 63-42-3); (M-H)- ME195757 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1057.00 - - - - - - - - -
LAURIC ACID (CAS# 143-07-7); (M-H)- ME195758 10235.00 9093.00 6058.33 6952.33 8219.67 9279.33 6676.00 4847.00 10929.00 10005.67 10309.00 9486.33 5206.00 4463.00 7380.75 13237.50 9360.00 18869.00 16599.50 9379.00 10451.00 7729.33 5720.00 6953.00 11422.60 6200.00 9777.00 8054.00 7192.00 6819.00 9959.33 17683.00 9307.67 18770.33 7987.00 11739.50 10577.00 12418.00 14748.50 10074.50 12226.00 8977.00 6187.00 8703.00 10854.00 13729.50
LEUCINE (CAS# 328-39-2); (M-H)- ME195759 - 4567.00 8254.50 15817.00 11440.00 11273.00 6848.00 6739.00 9155.00 12099.00 - 14629.00 13624.00 11451.00 5860.67 15590.00 10767.00 14543.67 10047.00 9656.00 17008.00 13459.33 - - 20897.50 11109.00 8508.67 - 14699.00 13877.00 18171.00 15267.50 8038.00 21243.50 7151.00 15945.00 9004.50 25338.00 7030.00 8925.00 10281.50 - - 14962.00 - 12358.00
L-GULONATE (CAS# 6322-07-2); (M-H)- ME195749 43909.00 30954.00 11843.67 14704.33 11298.00 14846.33 9734.00 12801.00 16066.00 9689.67 13528.50 5517.00 6834.00 4674.00 8316.25 12025.50 7819.00 14571.50 8993.50 7369.50 9459.33 5990.00 31135.00 12934.00 14962.60 11625.00 20423.00 9769.00 9330.00 7834.00 10127.33 12212.00 13616.33 10984.00 6058.00 8140.00 6334.00 27385.00 13295.50 6013.50 7507.33 10418.00 2845.00 10726.50 5805.00 6187.50
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O... ME195748 - - - - - 1178.00 - - 1647.00 - - - - - - - - - - - - - - - 1825.00 - - - - - - - - - - - - - 1243.00 - - - - - - -
L-HISTIDINE (CAS# 71-00-1); (M-H)- ME195750 6164.00 - - - - 2181.00 - - - 1329.00 - 1141.00 - - - - - 1525.00 - - - - - - - - 3947.00 - - - - - 3290.00 2093.00 - - 2348.00 - 1544.00 - 1406.00 - 1014.00 2498.00 - 1253.00
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- ME195760 19298.00 17824.00 14375.67 13275.00 16686.33 10730.00 18582.00 16908.00 17636.00 10861.33 12787.50 9407.33 10912.00 20117.00 17047.00 14373.00 12746.00 19990.00 23084.50 12740.50 17612.33 13777.33 8938.00 10311.00 22008.80 45147.00 15101.80 14660.00 24878.00 27445.00 11773.00 14717.33 15558.67 13974.33 18015.00 17521.50 17672.33 15630.00 13759.50 15788.50 20565.67 8393.00 9222.00 11717.50 5467.00 13101.50
LINOLEATE (CAS# 60-33-3); (M-H)- ME195761 2446516.00 2173125.00 2072410.33 2253160.00 2441486.00 2311858.67 2751415.00 1923656.00 2491397.50 2415416.00 2426386.50 2153350.67 1813697.00 2063668.00 2115269.50 1847567.00 2616284.00 3311445.75 2713663.50 2435618.50 2560560.33 2298301.67 2084412.00 2256038.00 2361545.20 2533568.00 2293619.60 2622519.00 2071105.00 2578726.00 2237720.33 2969885.00 2216501.33 2953355.00 2183945.50 2365850.50 2120735.67 2972038.00 3026319.50 2572413.50 2435632.33 2228354.00 2184157.00 2320497.00 2171793.00 2756856.50
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)- ME195762 - - - - - - - - - 1078.00 - - - - - - - 1454.00 - - - - - - 1065.00 - - - - - - - - - - - - - 1697.00 - - - - - - -
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- ME195751 6011.00 15611.00 13784.67 13159.33 17479.00 13972.00 - - 16665.00 11507.67 17207.50 12891.33 19866.00 9552.00 17414.00 8041.50 14875.50 19795.25 9627.50 12529.50 11571.50 8259.67 11538.00 6726.00 18690.20 13687.00 17497.40 14459.00 23616.00 29170.00 16789.33 24694.00 13897.33 21757.33 14700.50 16771.50 17816.33 18961.00 24641.00 16690.00 17003.67 15366.00 19608.00 17032.00 13932.00 13604.50
L-RHAMNOSE (CAS# 10030-85-0); (M-H)- ME195753 - 1677.00 - 1728.00 - - - - - - - - - - - - - - - - - - - - - 1324.00 - - - - - - - 1625.00 - - - - - - - - - - - -
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- ME195752 - - - - - - - - - - - - - - - - - - 1134.00 - - - - - - - - - - - - - - - - - - - - - - - - - - -
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- ME195754 23818.00 22572.00 17286.33 20380.33 16587.67 19807.67 19920.00 17735.00 23380.00 18558.00 21708.50 18901.67 28905.00 21532.00 18794.00 16843.00 23211.00 21829.50 16368.50 17878.50 20279.00 18960.33 21346.00 18084.00 23390.00 22359.00 14393.00 22268.00 24908.00 25401.00 18866.67 22885.67 12430.33 20127.33 21857.50 18666.00 19857.67 41176.00 26028.50 18248.00 21021.67 36293.00 19397.00 24112.50 14886.00 18554.50
LUMICHROME (CAS# 1086-80-2); (M-H)- ME195763 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 4295.00 - - - 10234.00 - - - - - - -
MALATE (CAS# 97-67-6); (M-H)- ME195764 7904.00 26235.00 - - - - - - 2560.00 - 4926.00 - - - - - - - - - 2722.00 - - - - - 5817.00 - - - - 6049.00 - - - - - - 6525.00 - - - - - - -
MALEIC ACID (CAS# 110-16-7); (M-H)- ME195765 - - - 1074.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
MALTOSE (CAS# 69-79-4); (M+CL)- ME195766 10624.00 12670.00 12813.00 7868.33 6983.00 6590.00 12836.00 8749.00 3874.00 12529.00 8526.00 3833.50 4936.00 5380.00 4554.75 - 2772.50 6538.00 3608.00 1467.00 8811.00 4274.33 - 3674.00 8947.33 - 11326.50 3458.00 2484.00 2811.00 9920.00 2951.00 8725.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3267.00 1759.00 4015.00
MANDELIC ACID (CAS# 611-71-2); (M-H)- ME195767 47584.00 202815.00 38173.67 27972.33 28475.00 44688.67 16124.00 4886.00 12604.00 64959.00 8070.00 8436.00 1802.00 16525.00 47992.67 23423.00 24560.00 34076.67 16731.50 11291.50 28922.67 26230.67 3510.00 3800.00 20872.75 8455.00 31929.20 14784.00 58025.00 66926.00 12381.33 25086.33 14971.00 28500.50 35283.00 21735.00 41637.67 285072.00 55575.00 6122.00 29421.67 174189.00 7585.00 5336.00 3832.00 5438.00
MANNITOL (CAS# 69-65-8); (M-H)- ME195768 - - - - - - - - - - - - - - - - - - - - - - - - 1800.00 - - - - - - - - - - - - - - - - - - - - -
MELIBIOSE (CAS# 585-99-9); (M+CL)- ME195769 10624.00 12670.00 12813.00 7868.33 6983.00 6025.00 12836.00 8749.00 3874.00 12529.00 8526.00 3833.50 4936.00 5380.00 4554.75 - 2772.50 6538.00 3608.00 1467.00 8811.00 4274.33 - 3674.00 8947.33 - 11326.50 2982.00 2484.00 2811.00 9920.00 2951.00 8930.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3267.00 1759.00 4015.00
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-... ME195770 - - - - - - - - - - - 2217.00 - - - - - - - - - - - - - - - - - - - - - - - - - 4158.00 - - - - - - - -
METHYLMALONATE (CAS# 516-05-2); (M-H)- ME195771 12998.00 10384.00 15063.00 30272.00 19293.33 19818.33 23052.00 14340.00 24242.50 18475.67 30363.50 29292.50 31122.00 - 16196.00 15556.00 31822.00 26491.00 34650.00 15828.50 26413.67 21782.00 26188.00 22854.00 26253.60 38772.00 19525.50 27783.00 16126.00 19715.00 29471.67 42573.00 22910.33 29539.33 20606.00 25978.00 23180.67 42477.00 37459.50 19008.00 22493.67 46605.00 17437.00 25621.00 14150.00 -
MEVALONIC ACID (CAS# 674-26-0); (M-H)- ME195772 - 34234.00 - 27270.00 - 8298.00 - 2408.00 - 7816.00 - - 1398.00 - - - - - - - - - - - 8702.00 - 6975.00 - - - - - 6067.00 9439.00 - 4609.00 9138.00 - - - - - - - - -
MONO-METHYL GLUTARATE (CAS# 1501-27-5); ... ME195773 6791.00 7060.00 5507.00 7462.50 5245.00 - 7252.00 9869.00 7961.00 5196.50 7954.00 5056.00 6400.00 5065.00 4902.25 7387.00 7560.00 6944.00 8016.00 4729.00 8895.00 8964.00 11584.00 9213.00 10664.25 4711.00 6166.25 - 5534.00 6571.00 6496.67 10046.50 10145.00 8929.00 10419.00 3273.00 6340.33 - 8523.00 3900.00 10818.00 11551.00 6243.00 6423.00 - 4490.00
MYRISTIC ACID (CAS# 544-63-8); (M-H)- ME195774 172071.00 183302.00 165250.33 209557.67 221342.67 220400.67 225602.00 138643.00 249926.50 238100.00 210111.00 234503.00 164829.00 144009.00 151799.25 205613.50 221338.50 299950.25 304334.50 208650.50 216972.00 187285.67 169153.00 159865.00 197245.20 182899.00 186888.00 217518.00 152907.00 166574.00 203197.67 302264.00 193371.00 309029.33 164701.50 199875.50 181086.67 275164.00 259490.50 234443.00 199702.00 195600.00 225894.00 204113.00 224242.00 239536.50
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- ME195775 4196.00 6549.00 10551.33 6228.33 17446.67 8039.00 3766.00 5258.00 15263.00 20778.33 18765.50 17571.33 6142.00 4413.00 9764.25 14629.00 12178.50 19938.25 39520.50 13331.50 9540.00 11829.67 8717.00 6442.00 13372.00 6054.00 12974.60 8935.00 4317.00 3470.00 11705.67 22982.67 13760.33 28844.67 13702.00 14257.50 6487.33 26994.00 28268.00 16886.00 12801.00 18102.00 5272.00 16904.00 9796.00 18678.50
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6);... ME195776 9689.00 17943.00 8438.00 - 12128.00 8039.50 - - 9511.00 8537.00 10792.00 9797.00 12626.00 9515.00 7336.00 8010.00 10024.50 7259.00 - 9634.00 11521.00 7947.67 - - - 12706.00 8630.50 - 9214.00 10336.00 9903.00 - 14081.00 13727.00 7246.50 - 12828.00 16975.00 10481.50 8679.00 15254.50 10806.00 - 13382.00 - 11383.50
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5);... ME195778 - 1014.00 - - - - 2473.00 2592.00 - - - - 1988.00 - - - - - - - - - - - - - - - - - - - 1182.00 - - - - 1675.00 - - - 1097.00 - - - -
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)... ME195779 - 2643.00 - 5313.00 - 2170.00 - 3711.00 1598.00 - 1339.00 - - - - - 1761.00 1964.00 4549.00 - 1504.00 - - - 1675.00 - 3169.00 - 1877.00 - 2142.00 2392.00 - 2825.00 1517.00 - 2650.00 6405.00 - - 2052.00 3598.00 - - - -
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6);... ME195777 9689.00 17943.00 8438.00 - 12128.00 8039.50 - - 9511.00 8537.00 10792.00 9797.00 13115.00 9515.00 7336.00 8010.00 10024.50 7259.00 - 9634.00 11521.00 7947.67 - - - 12706.00 8630.50 - 9214.00 10336.00 9903.00 - 14081.00 13727.00 7246.50 - 12828.00 16975.00 10481.50 8679.00 15254.50 10806.00 - 13382.00 - 11383.50
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); ... ME195782 9689.00 17943.00 8438.00 - 12128.00 8039.50 - - 9511.00 8537.00 10792.00 9797.00 13115.00 9515.00 7336.00 8010.00 10024.50 7259.00 - 9634.00 11521.00 7714.33 - - - 12706.00 8630.50 - 9214.00 10336.00 9903.00 - 14081.00 13727.00 7246.50 - 12828.00 16975.00 10481.50 8679.00 15254.50 10806.00 - 13382.00 - 11383.50
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- ME195783 - - 5359.00 4678.00 5300.00 5648.00 - - - - - 4234.67 - - - - - 15141.00 5364.00 - - - 6067.00 5566.00 9132.00 - 6211.00 1300.00 - - 5142.50 - - 4969.00 5377.00 2934.00 - 6304.00 7378.50 3155.00 - 14247.00 - - - -
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)... ME195780 16759.00 17116.00 27919.33 43773.33 29898.00 42289.00 73831.00 60817.00 38375.00 34381.67 34822.50 41120.00 50711.00 24804.00 23397.00 21272.00 44008.50 36346.25 32157.00 30199.00 34076.67 35223.67 54850.00 39712.00 42011.20 42850.00 29847.40 36122.00 29029.00 33755.00 48222.67 42543.33 28500.67 47403.67 30599.00 29882.00 27339.00 58120.00 43689.00 26146.00 28527.33 67202.00 28126.00 41620.00 18690.00 33966.50
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7)... ME195781 - - - - - - 1862.00 - - - - - - - 1116.00 - - 1225.00 - - - - - - 1945.00 - - - 2422.00 - - 3979.00 - 1857.00 1513.00 - - 4735.00 - 1477.00 - - - - - -
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-... ME195784 6054.00 4354.00 1240.00 1629.00 1822.00 1509.33 1151.00 - 3591.50 1749.50 2507.00 2324.00 2070.00 1240.00 - 2197.00 2259.00 1802.33 2431.50 1310.00 2026.50 2384.00 4128.00 - 2919.00 - 2965.00 - 1473.00 - 2204.50 3357.67 2075.00 2539.00 1866.00 2118.00 1359.00 - 2571.00 1573.00 - 2425.00 - 2104.50 1534.00 2030.00
NAPROXEN (CAS# 22204-53-1); (M-H)- ME195791 22117.00 2667.00 - - - - - - - 23616.00 - - - - - - - 17067.00 - - 8478.00 19996.00 - - 29753.00 - - - - - - - - - 11172.00 3356.00 - - - - - - - - - -
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80... ME195785 - - - - - - - - - - - - - - - - - - - 1104.00 - 1248.00 - - - - - - - - - - - - - - - - - - - - - - - -
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80... ME195786 - - - - - - - - - - - - - - 2356.00 - - 4484.00 - - - - - - - - - - - - - - - - - - - - - - 2112.00 - - - - -
NERVONIC ACID (CAS# 506-37-6); (M-H)- ME195792 26910.00 25311.00 23688.33 22828.00 21216.33 22817.00 36710.00 25310.00 30984.00 23150.67 21166.00 25772.33 27031.00 16701.00 20504.75 19772.00 29140.50 32308.00 33374.00 20069.00 25759.00 22503.00 22428.00 22363.00 25647.40 20429.00 23617.00 28204.00 14348.00 17712.00 23369.00 33396.67 27349.33 41216.00 23662.50 22013.50 13292.33 44500.00 25416.50 24947.50 15721.00 27960.00 17970.00 23731.00 20524.00 33241.50
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)- ME195787 - 3799.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 3278.00 - - - - - - - - - - - -
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5... ME195788 - 2643.00 - 5313.00 - 2170.00 - 4217.00 1598.00 - 1339.00 - - - - - - 1964.00 4549.00 - 1504.00 - - - 1675.00 - 4000.50 - 1877.00 - 1676.00 2826.00 - 2825.00 1517.00 - 2650.00 6405.00 - - 2052.00 2876.00 - - - -
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (... ME195789 - - - - - 2886.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)... ME195790 - - 1652.00 - - - - - - 1528.00 1037.00 - - - - - - - - 1144.00 - - - - - - - - - - - 1075.00 - - 1424.00 - - - - - - - - - - -
NORLEUCINE (CAS# 327-57-1); (M-H)- ME195793 - 4567.00 8254.50 15817.00 10723.33 11273.00 5544.00 6739.00 8356.00 11536.00 - 14123.00 13225.00 11451.00 4863.00 14479.00 9106.00 14107.00 9055.00 9656.00 17008.00 12404.33 - - 19446.00 10462.00 8369.67 - 14699.00 13877.00 16992.50 14317.00 7122.50 20327.50 6376.00 15945.00 8497.00 24314.00 7030.00 8925.00 9339.00 - - 13787.50 - 11276.00
OLEIC ACID (CAS# 112-80-1); (M-H)- ME195794 3615605.00 3069592.00 3083343.33 3291918.33 3568206.00 3605381.33 3712172.00 2542786.00 4097076.00 3577132.33 3888976.00 3491554.00 2997027.00 2621424.00 2711097.50 2950994.50 4221973.50 4582750.75 5007165.00 3116642.50 3481249.67 3310481.67 3144757.00 2939565.00 3199863.20 3616753.00 3312278.60 3588089.00 2736228.00 3407322.00 3507604.00 4510438.00 3289778.67 5239381.33 2944911.50 3414361.50 2845591.33 5111398.00 4273375.00 3691392.00 3408480.00 3320771.00 3139307.00 3156727.00 3561656.00 4167562.00
OMEPRAZOLE (CAS# 73590-58-6); (M-H)- ME195795 - 6828.00 30272.00 - - - - - - - - - - - - 98088.00 - - - - - - - - - - - - - - - - - 12374.00 - - 3373.00 - - - 3276.00 - - - - -
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M... ME195796 - 619557.00 66093.00 - - - - - - - - - - - - 742905.00 - - 9983.00 - - - - - - - - - - - - 3880.00 - 306901.00 - - 277680.00 - - - 254643.00 - - - - -
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CA... ME195797 - 6494.00 466562.00 19799.00 45363.00 80056.00 9456.00 24845.00 - - - - - - 1333.00 - - - - - - - - - - - 11213.00 - - - 45874.00 - 9520.00 - - - - - - - 24069.00 - - - - -
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CA... ME195798 - 85420.00 214945.00 176954.00 109801.00 318933.00 105752.00 155497.00 - - - - - - 37702.00 - - - - 35325.00 - - - - 1894.00 - 72924.50 - - - 182024.00 - 68717.00 1398.00 - - 18987.50 - - - 76389.50 - - - - -
PALATINOSE (CAS# 343336-76-5); (M+CL)- ME195799 10624.00 12670.00 12813.00 7868.33 6572.50 6590.00 12836.00 8749.00 3874.00 11964.50 8526.00 3833.50 4936.00 5380.00 4554.75 - 2451.50 6354.00 3608.00 1467.00 8811.00 4274.33 - 3674.00 8947.33 - 11326.50 2982.00 2484.00 2811.00 9920.00 2951.00 9147.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3267.00 1759.00 4015.00
PALMITATE (CAS# 57-10-3); (M-H)- ME195800 1349598.00 1127592.00 1213735.00 1252204.67 1327992.67 1442282.33 1569904.00 998186.00 1546757.00 1333730.33 1442980.00 1278992.00 1090308.00 1039350.00 1022026.75 1119613.00 1513936.00 1643271.75 1818804.00 1174371.50 1407476.00 1232146.00 1001119.00 1024839.00 1145893.60 1552134.00 1206925.00 1529631.00 1004936.00 1335059.00 1217389.00 1706969.33 1321683.67 1801178.67 1053177.50 1171418.00 1213371.67 1533387.00 1496690.50 1296424.50 1260404.00 1129200.00 1271818.00 1030371.50 1382652.00 1440907.00
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- ME195801 358653.00 441079.00 561215.33 579476.33 860810.33 602925.33 397317.00 165187.00 725514.50 887793.33 836528.00 832686.33 557971.00 380442.00 526584.00 618751.00 800097.50 1078918.25 1448958.00 726987.00 596975.67 699763.33 694010.00 607547.00 609660.60 350427.00 689279.40 620209.00 285067.00 326297.00 726519.67 1057137.67 540976.00 1251821.67 671946.00 822035.50 366820.33 1304133.00 1037270.50 843036.50 642422.67 862593.00 368442.00 819569.50 736850.00 1005737.00
PANTOTHENATE (CAS# 79-83-4); (M+CL)- ME195802 - - - - - - - - - - - - - - - 3789.00 - - 5209.00 - - - - - 3870.00 - - - - - - - - - - - - - 2338.00 - - - - - - -
PANTOTHENATE (CAS# 79-83-4); (M-H)- ME195803 9352.00 5790.00 6060.50 2302.50 5866.50 4310.00 4187.00 3867.00 5801.00 5845.67 5097.00 3948.00 - - 3141.00 24322.00 4577.00 4223.67 28872.00 5744.00 - 3996.00 6325.00 - 13710.00 1484.00 4342.67 - - - 5231.00 7945.00 5610.00 5889.67 17192.50 - 4746.00 22240.00 28683.00 - 4603.33 9242.00 - 7048.00 - 6039.50
PARAXANTHINE (CAS# 611-59-6); (M-H)- ME195804 319857.00 159360.00 170970.00 133868.33 199709.33 141031.00 24680.00 58291.00 181669.00 212894.00 141830.00 146795.33 94138.00 62165.00 75949.75 101036.50 159669.50 252760.00 198987.50 101461.50 141381.00 91262.33 71519.00 94655.00 118651.20 388286.00 145089.50 271813.00 3724.00 3949.00 194092.33 71896.00 233342.33 136021.33 171068.50 49771.50 54302.00 119228.00 233515.00 114351.50 50356.67 127726.00 153245.00 122828.50 98227.00 173048.50
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)... ME195805 9994.00 14302.00 7206.00 11230.67 9157.67 11476.67 21526.00 14247.00 12380.50 6794.00 10179.50 9063.00 15112.00 9733.00 4273.00 3152.00 8525.50 8110.00 9444.50 5811.00 7378.33 6015.67 8998.00 5840.00 9080.25 7497.00 5411.00 9028.00 6858.00 5197.00 10271.67 14313.50 13317.50 9932.33 7780.50 5191.00 9125.00 5987.00 10939.00 7208.50 6367.00 9504.00 7723.00 9011.00 3913.00 7318.50
PHENYLALANINE (CAS# 63-91-2); (M-H)- ME195806 150573.00 119148.00 69128.67 135936.33 90069.67 130944.00 241472.00 143256.00 161921.00 107757.00 130554.00 115537.33 230422.00 50552.00 61851.67 90821.50 153945.50 113322.00 158931.50 94873.50 86114.33 119957.00 118750.00 57369.00 137298.60 92258.00 101079.75 143562.00 89429.00 79060.00 168929.00 216992.33 80290.00 186842.33 105661.50 137291.00 78279.67 302394.00 115181.00 91288.50 100335.00 265261.00 64770.00 141949.00 80175.00 122343.00
PHTHALATE (CAS# 88-99-3); (M-H)- ME195807 - - - - - - 4764.00 - - - - - - - - - 1081.00 - - - - - - - 2614.00 - - - - - 1664.00 1121.00 1802.00 - - - - - - - 24551.00 - - - - -
PHYTANATE (CAS# 14721-66-5); (M-H)- ME195808 20293.00 19464.00 19390.33 25354.00 13614.67 42767.33 34721.00 12251.00 31046.00 22269.67 36333.50 45411.00 38423.00 10739.00 13545.50 39753.00 45784.50 21626.00 53694.00 21646.50 21054.00 10622.00 23564.00 17037.00 31045.00 16058.00 33695.40 15401.00 10371.00 18362.00 18544.00 42050.33 53077.00 46208.00 23124.00 24857.50 16551.67 38398.00 46018.50 25182.00 19457.33 28553.00 42773.00 23702.50 45865.00 22742.00
PINITOL (CAS# 10284-63-6); (M+CL)- ME195809 - - - - - - - - - - - 1829.00 - - - - - - - - - - - - - - - - - - - - - - - - - 4158.00 - - - - - - - -
PROPYNOATE (CAS# 471-25-0); (M-H)- ME195810 - - - - - - - - - - - - - - - - - 11549.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - -
PTERIN (CAS# 2236-60-4); (M-H)- ME195811 - - 2188.00 - 1369.00 - - - - 2079.00 1406.00 1942.00 - - - - 3242.00 - - - - - - - 3481.00 - 3203.00 1199.00 - - 1968.50 - - - - 1033.00 - - - 1432.00 - - - - 2257.00 -
PURINE (CAS# 120-73-0); (M-H)- ME195812 103736.00 94598.00 101716.67 322815.67 125626.33 143920.00 115773.00 56995.00 75324.50 89263.00 118826.00 124788.33 136618.00 108145.00 91104.67 278562.50 136053.50 140676.00 107355.00 96877.00 145626.00 66468.67 178649.00 198489.00 116383.20 197883.00 79732.00 144988.00 76335.00 129671.00 178079.33 93194.33 98105.33 114064.00 74541.00 105401.00 113252.67 54276.00 141509.50 56274.00 73954.00 131536.00 115397.00 106191.50 120365.00 82539.50
QUINATE (CAS# 77-95-2); (M-H)- ME195813 55162.00 35286.00 13530.67 24815.33 14042.00 55339.00 - 9948.00 18176.50 13078.50 2641.00 21057.00 8640.00 1364.00 19042.50 22763.00 10095.50 24589.00 27879.00 8179.00 8111.50 4001.00 12734.00 - 10209.33 42758.00 19963.33 2710.00 - - 47013.00 4692.50 28826.00 58616.00 31035.00 4370.00 17900.00 21622.00 39399.50 11120.00 30736.00 4032.00 3053.00 2304.00 - -
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-... ME195814 - - - - - - - - 37909.00 - - - - - - - 31170.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
RAFFINOSE (CAS# 512-69-6); (M+CL)- ME195815 - - - - - - - - - - - - - - - - - - - - 5209.00 - - - - - - - - - - - 1088.00 - - - 1203.00 - - - 3476.00 - - - - -
RESORCINOL MONOACETATE (CAS# 102-29-4); ... ME195816 8987.00 - 4056.50 - - 4506.00 - - - - - 3186.00 13233.00 - - 7758.00 1842.00 15461.00 9598.00 5723.00 7436.00 4866.00 - - 2612.00 - 7014.00 - - - 4048.00 20138.00 - - - - 2443.00 23462.00 10742.50 1112.00 - - - - - -
RETINOATE (CAS# 302-79-4); (M-H)- ME195817 17295.00 15011.00 12825.33 13124.67 12673.00 13037.33 20142.00 10484.00 16662.50 14172.33 14764.50 12902.33 12140.00 12567.00 11539.75 13640.50 13486.50 16093.75 12288.00 12166.50 14185.33 9869.33 13208.00 13611.00 12906.20 16561.00 10954.20 18715.00 12259.00 16122.00 14142.00 15951.00 13251.00 15327.33 12000.00 10287.00 11861.00 15152.00 14663.00 14568.00 12511.67 12354.00 15770.00 10033.00 12955.00 15586.50
RIBOFLAVIN (CAS# 83-88-5); (M-H)- ME195818 - - - - - - - - - - - - - - - - - - - - - - - - 1791.00 - - - - - - - - - - - - - - - - - - - - -
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-... ME195594 303726.00 250773.00 147023.67 169380.00 214322.50 221004.67 222033.00 147460.00 226945.00 145395.00 162494.50 186512.67 233491.00 117372.00 131075.75 215394.50 200109.00 180444.25 288080.50 174840.00 157892.33 173480.33 229941.00 243977.00 209907.60 254426.00 133739.25 224323.00 135140.00 139928.00 173030.33 251745.00 143194.00 239455.00 180518.50 151223.50 136186.00 241446.00 188927.50 134741.00 164929.67 271920.00 207145.00 226339.50 94058.00 168289.00
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0... ME195819 - - - - - - - - - - - 1568.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0... ME195820 - - - - - 2080.00 - - - - - - - - - - - - - - - - - - - 12135.00 - - - - - - - - - - - - - - - - - - - -
SALICYLATE (CAS# 69-72-7); (M-H)- ME195821 69733.00 21342.00 17162.00 11696.50 11720.33 52301.50 19887.00 26860.00 3200023.00 18489.00 2154113.00 12911.33 - 6381.00 102244.50 14265.50 29038.00 277411.67 12895.50 27506.00 38669.67 18697.50 781541.00 1087399.00 50409.60 40280.00 20345.00 - 1311464.00 113953.00 27129.00 598486.67 14417.00 276053.00 9372.00 8003.00 883109.00 100471.00 19718.00 3171.00 10128.00 58540.00 7347.00 52872.00 3248.00 12015.00
SALICYLURIC ACID (CAS# 487-54-7); (M-H)- ME195822 1799.00 - - - - - - 2626.00 1260408.00 - 259142.00 - - - 13440.00 - - 22868.00 - - 1340.00 - 29414.00 36247.00 - - - - 46587.00 - - 59128.00 - 11014.00 - - 109866.00 - - - - - - - - -
SEBACIC ACID (CAS# 111-20-6); (M-H)- ME195823 10968.00 9998.00 6545.00 7881.67 7854.33 8415.67 6802.00 11346.00 9411.50 7220.00 12540.00 11343.33 9133.00 9132.00 6063.25 5993.00 9169.50 8449.25 7028.00 6106.00 7675.67 7745.00 13756.00 19335.00 7259.40 6825.00 8278.20 8751.00 7542.00 8294.00 11113.67 7639.00 8695.67 10277.33 7712.00 13175.50 10033.67 6980.00 8579.50 9816.50 8946.33 8643.00 5889.00 7956.00 5580.00 7807.00
STACHYOSE (CAS# 54261-98-2); (M+CL)- ME195824 - - - - - - - - - - - - - - - - - - - - 1595.00 - - - - - - - - - - - - - - - - - - - - - - - - -
STEARATE (CAS# 57-11-4); (M-H)- ME195825 2260766.00 2013312.00 1661482.00 1841591.67 1535966.00 2089229.33 2648453.00 1406741.00 2114204.00 1805671.33 2096709.50 1905158.67 1891250.00 1409188.00 1585176.00 1670216.00 2444628.00 2363794.00 2174935.50 1611928.00 2044249.00 1672803.33 1643377.00 1682822.00 1935170.00 1888194.00 1918540.80 2238866.00 1917843.00 2019405.00 1770413.33 2711272.67 1943451.33 2534896.00 1611354.00 1829312.50 1704151.67 2342584.00 2351671.00 1972016.50 1950277.67 1707831.00 1924764.00 1690878.00 2272316.00 2225331.50
SUBERIC ACID (CAS# 505-48-6); (M-H)- ME195826 - - 1424.50 1462.00 - - 1767.00 - 1497.00 1668.00 - - 1566.00 - 1702.00 - - - - 1371.00 2272.00 - - - 1838.00 - 1187.00 - - - 2209.50 - 2631.00 2378.00 2243.00 - - - - 2007.00 2062.00 - - - - 1767.00
SUCCINATE (CAS# 110-15-6); (M-H)- ME195827 45271.00 52497.00 15063.00 30849.00 19066.33 19818.33 23052.00 14340.00 24242.50 18200.33 30363.50 29292.50 31122.00 - 17377.00 15556.00 31226.50 26491.00 38254.00 15828.50 25916.00 21782.00 26188.00 22854.00 26536.60 38772.00 19525.50 27783.00 16126.00 19715.00 29871.00 42573.00 22910.33 29539.33 22287.00 25978.00 23180.67 42477.00 36444.00 19008.00 22493.67 46605.00 17437.00 25621.00 14150.00 -
SUCROSE (CAS# 57-50-1); (M+CL)- ME195828 10624.00 12670.00 12813.00 7868.33 6983.00 6590.00 12836.00 8749.00 3874.00 11964.50 8526.00 3833.50 4936.00 5380.00 4554.75 - 2451.50 6326.00 3608.00 1467.00 8811.00 4274.33 - 3674.00 8947.33 - 11326.50 2982.00 2484.00 2811.00 9920.00 2951.00 9147.33 5727.33 2608.00 8815.00 37422.33 10169.00 3782.00 2671.00 23370.50 2805.00 - 3306.00 1759.00 4015.00
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)... ME195829 - - - - - - - - - - - - - - - 1800.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
TEREPHTHALATE (CAS# 100-21-0); (M-H)- ME195830 - - - 1657.00 - - 4764.00 - - - - - - - - - 1081.00 - - - - - - - 2333.50 - - - - - 1664.00 - - - - - - - - - - - - - - -
THEOPHYLLINE (CAS# 58-55-9); (M-H)- ME195831 319857.00 159360.00 170970.00 133868.33 199709.33 141031.00 24680.00 58291.00 181669.00 212946.50 141830.00 146795.33 94138.00 62165.00 75949.75 101036.50 159669.50 252760.00 198987.50 101461.50 141381.00 91262.33 71519.00 94655.00 118651.20 388286.00 145089.50 271813.00 3724.00 3949.00 194092.33 71896.00 233342.33 136021.33 171068.50 49771.50 54302.00 119228.00 233515.00 114351.50 50638.00 127726.00 153245.00 122828.50 98227.00 173048.50
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O... ME195832 - 2643.00 - 5313.00 - 2170.00 - 3711.00 1598.00 - 1339.00 - - - - - - - 2554.00 - 1504.00 - - - 1231.00 - 2896.67 - 1877.00 - 2142.00 2826.00 - 2825.00 - - 2650.00 3205.00 - - 2052.00 1297.00 - - - -
THYROXINE (CAS# 51-48-9); (M-H)- ME195833 7790.00 7941.00 4250.50 5309.67 3552.00 5785.67 5334.00 5268.00 5858.00 4831.00 4492.00 5548.33 5119.00 4731.00 3507.67 3225.50 5044.00 5526.67 2952.50 6894.00 4310.67 6034.00 4365.00 4748.00 4641.00 5473.00 4053.00 4979.00 4256.00 3591.00 5300.67 8091.00 5011.00 6471.00 4568.50 4275.00 3145.67 7192.00 4986.00 4634.50 4489.67 5215.00 6747.00 6001.00 5353.00 6221.00
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- ME195834 30444.00 16927.00 - - - 1631.00 10525.00 - 9787.00 6383.00 - 5458.00 - - - 11236.00 - 3266.50 8207.00 - - - - - 2620.00 - 5752.50 - - - 3967.00 13172.00 - 6710.00 8158.00 - 2531.00 - 7950.00 - - 4153.00 - 2274.00 - -
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-... ME195835 3615605.00 3069592.00 3083343.33 3291918.33 3568206.00 3605381.33 3712172.00 2542786.00 4097076.00 3577132.33 3888976.00 3491681.00 2997027.00 2621424.00 2711096.75 2950994.50 4221973.50 4582750.75 5007165.00 3116642.50 3481249.67 3310481.67 3144757.00 2939565.00 3199863.20 3616753.00 3312278.60 3588089.00 2736228.00 3407322.00 3507604.00 4510438.00 3289778.67 5239381.33 2944912.50 3414361.50 2845591.33 5111398.00 4273375.00 3691392.00 3408462.33 3320771.00 3139307.00 3156727.00 3561656.00 4167562.00
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H... ME195836 - - - - - - 1648.00 - - - - - - - - - - - - - - - - - 3671.00 - - - - - - - - - - - - - - - - - - - - -
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H... ME195837 5237.00 12128.00 - - - 5066.00 - - - 9703.00 - 4637.00 - - - - - - 16348.00 4812.00 2146.00 2252.00 - - 13019.00 - 2053.00 - - - 1455.00 - 2378.00 - - - - - - - - - 20471.00 1833.00 - -
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H... ME195838 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1021.00 - - - - 1112.00 - - - - - - - - -
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)... ME195839 4033.00 4887.00 4099.00 3384.67 4435.67 21456.67 4015.00 5478.00 7410.00 3318.67 4895.00 15697.33 3323.00 3437.00 4801.75 2721.00 34072.00 6811.25 4269.00 3854.50 4664.33 3618.33 19426.00 2213.00 6390.60 6623.00 12513.20 4285.00 5471.00 3159.00 4004.00 4810.33 4656.00 4251.00 7060.50 6131.50 4574.67 3391.00 12947.00 4691.50 4607.33 1824.00 3774.00 3428.50 1785.00 4118.50
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- ME195840 1867.00 2841.00 2142.00 2830.50 2649.00 3604.33 2528.00 - 2872.50 2814.33 5154.00 3209.67 1940.00 - 1914.67 2475.00 2728.00 3120.00 4657.00 2609.00 2496.67 1930.00 2020.00 1942.00 3397.25 1979.00 1948.50 2534.00 1593.00 2436.00 2154.67 3652.67 4893.00 3921.33 2443.00 2703.50 2361.50 2983.00 5987.50 3134.50 2498.00 - 4622.00 2192.50 3749.00 2203.50
TRYPTOPHAN (CAS# 73-22-3); (2M-H)- ME195841 - - - - - 12328.00 - - - - - 16115.00 - - - - - - 18838.00 - - - - - 15452.00 - - 13285.00 - - - - - 13566.00 - - - - 17064.00 - - - - 14938.00 - 11907.00
TRYPTOPHAN (CAS# 73-22-3); (M-H)- ME195842 163154.00 168461.00 96737.33 138763.67 94684.00 127373.67 136482.00 109464.00 166230.50 146344.67 129751.00 144048.67 191569.00 115414.00 110046.75 167063.00 143201.00 130145.00 110139.00 133824.50 110597.33 109632.67 106851.00 74519.00 177389.20 150978.00 96211.00 154977.00 167921.00 120232.00 150681.00 204729.67 80913.00 141669.00 142466.00 126109.50 113052.67 279030.00 189294.00 126557.00 125687.00 323635.00 166599.00 190357.00 114762.00 133835.00
TYROSINE (CAS# 60-18-4); (M-H)- ME195843 7261.00 5984.00 6997.00 8270.33 8567.33 6970.00 10517.00 9849.00 16261.50 12125.00 15915.00 12066.00 12394.00 7411.00 5990.50 9267.50 10905.00 11542.00 8759.00 8018.00 9789.33 7573.33 9750.00 7400.00 11235.60 13476.00 8940.00 13465.00 7754.00 9950.00 15095.67 12793.00 10747.00 10856.00 8174.50 11482.50 10222.33 16319.00 13334.50 9914.00 10413.67 13172.00 8189.00 12983.00 4919.00 7597.50
URACIL (CAS# 66-22-8); (M-H)- ME195844 - 8422.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
URATE (CAS# 69-93-2); (M-H)- ME195845 778413.00 781178.00 461169.00 651841.00 567532.67 621377.67 912917.00 822690.00 731376.00 561117.67 693776.50 633697.00 546373.00 331353.00 409958.25 573217.00 616937.00 573568.75 647065.50 520994.50 573291.33 560353.33 814013.00 708373.00 614235.80 722743.00 478546.20 711226.00 574745.00 608354.00 713777.33 669246.33 586032.33 642048.67 544917.00 601574.00 525497.67 588771.00 695844.00 530281.00 522597.67 394750.00 566834.00 710446.00 434246.00 551473.50
URIDINE (CAS# 58-96-8); (M+CL)- ME195846 70263.00 88676.00 171517.00 329751.33 256814.00 243921.00 326628.00 335485.00 506465.00 489593.33 433370.00 424378.67 649143.00 211237.00 180558.00 350439.50 376702.00 301243.00 240026.00 310518.50 220724.33 270585.33 249380.00 139646.00 445594.20 514976.00 325642.40 393195.00 294998.00 246376.00 485202.67 502358.33 267254.67 450312.33 285026.00 427637.50 211060.67 2090764.00 440116.50 332844.50 276458.67 641606.00 273404.00 593714.50 261541.00 248231.50
URIDINE (CAS# 58-96-8); (M-H)- ME195848 8061.00 12848.00 45475.00 37645.67 32522.00 32810.00 39535.00 35609.00 52364.50 49764.00 44032.00 47258.00 67058.00 22811.00 21376.50 54776.50 39688.50 36500.50 35346.50 37696.00 27694.33 30028.33 29674.00 23556.00 46929.60 57733.00 38029.60 39682.00 37184.00 29796.00 51193.00 54643.67 29604.33 45331.00 35840.00 40945.00 26294.67 175569.00 46520.50 35353.50 34141.33 62010.00 27227.00 57543.50 32779.00 27805.00
URIDINE (CAS# 58-96-8); (M+HCOO)- ME195847 - - 3295.00 3624.00 3607.00 2310.00 1842.00 3097.00 3547.50 4008.33 4248.00 2753.50 6735.00 2138.00 2720.00 3900.00 4391.50 3313.67 2080.00 3712.50 3804.50 2980.00 3803.00 - 3889.40 5846.00 3969.00 4285.00 3668.00 4157.00 4307.00 4647.67 3397.50 3847.33 3233.50 3947.50 2428.67 16933.00 4081.50 3661.50 3417.67 7002.00 - 5358.50 2190.00 2346.50
URSODIOL (CAS# 128-13-2); (M-H)- ME195850 8503.00 14181.00 - 7623.00 2795.00 9647.00 33103.00 - 23979.50 20209.00 10362.50 20550.00 - 3225.00 14248.25 26514.00 - 9887.67 31052.00 21710.00 30829.00 18430.50 - - 9671.33 8954.00 4239.00 29602.00 - - 28515.33 - 28843.00 - - 5761.00 14654.00 38260.00 8225.00 - 10139.00 - - 30291.00 - 14774.00
URSODIOL (CAS# 128-13-2); (M+HCOO)- ME195849 3794.00 3600.00 - 5710.00 - 6333.00 - - 6872.50 3432.00 8967.00 - - - 6076.50 1114.00 1769.00 2511.50 2229.00 - 5547.00 - - - 3908.00 - 5917.00 - - - 7560.00 - 1709.00 - - - 4892.00 - - - 2585.00 - - 2229.00 - -
XANTHINE (CAS# 69-89-6); (M-H)- ME195851 3100871.00 3581733.00 10417.00 38944.00 21239.00 16012.00 14620.00 15721.00 34556.50 32295.00 28986.00 21951.67 32987.00 9880.00 10962.67 15429.50 20253.50 17883.75 20290.50 11929.50 13738.33 21718.00 23979.00 6292.00 27155.20 34411.00 21312.00 15976.00 7847.00 5511.00 27152.67 40379.67 16148.67 25986.33 14924.00 22822.50 16623.67 70872.00 23511.50 15302.00 19443.33 25989.00 16703.00 26309.00 12157.00 10905.50
XANTHOSINE (CAS# 146-80-5); (M-H)- ME195852 305960.00 349708.00 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
XYLOSE (CAS# 58-86-6); (M+HCOO)- ME195853 48697.00 33373.00 11843.67 14723.00 13643.50 14846.33 25692.00 12663.00 21252.50 9689.67 13528.50 6873.33 6834.00 4674.00 8561.33 12025.50 9069.00 14285.50 8993.50 5736.00 10264.50 8884.00 31135.00 12934.00 15552.00 11625.00 20268.67 8106.00 9330.00 7834.00 12030.67 14015.00 13616.33 12179.33 6058.00 8140.00 5650.00 27385.00 11859.50 - 7601.67 10418.00 2845.00 10726.50 4533.00 6249.00
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- ME195854 1193332.00 1179153.00 1018868.00 1224999.00 1069710.00 1258606.33 1245121.00 1119446.00 1143811.50 997521.67 1358309.50 1071528.33 1411894.00 1236517.00 1030920.75 968818.00 1313945.00 1380959.50 1091510.00 968091.50 1276564.33 1081318.67 1360528.00 1241684.00 1215893.00 1428373.00 940854.00 1251289.00 1117671.00 1285278.00 1163460.00 1244617.33 990062.33 1253923.00 1186779.00 989753.00 1187229.00 1368732.00 1320082.50 985793.00 1248240.33 1426999.00 1119376.00 1147567.00 821837.00 1088536.00
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- ME195855 1898751.00 1979716.00 1527160.33 1803733.67 1688041.67 1946775.00 1763369.00 1645516.00 1608056.50 1531682.00 1894383.50 1647251.00 2191503.00 1884796.00 1547728.50 1445681.50 1985840.00 2129989.00 1709185.00 1479315.00 2036830.67 1680593.00 2025013.00 1843586.00 1854232.00 2238284.00 1412602.60 1986221.00 1714270.00 2061792.00 1803806.67 1888226.33 1606562.33 1901822.33 1748118.00 1468451.00 1902647.00 2100439.00 2058565.00 1578801.50 1952704.00 2246055.00 1674104.00 1804820.50 1272381.00 1638996.00

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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