Data for ST000775
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- | - | - | 2044.00 | 2271.00 | 4051.00 | - | 2640.00 | - | 2576.00 | 2850.00 | 2411.00 | - | - | 2930.00 | 2958.00 | 2160.00 | 2272.00 | 2096.00 | 2124.00 | 3206.00 | 2518.00 | 2385.00 | - | 2762.00 | 2341.00 | 3374.00 | - | 3838.00 | - | 5597.00 | 3177.00 | 2501.00 | ||
| 11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- | - | 2819.00 | 1444.00 | - | 2733.00 | 2781.00 | 4537.00 | - | - | - | 1993.00 | 1846.00 | 2080.00 | - | 1803.00 | - | - | - | 1888.00 | - | 1944.00 | - | 4384.00 | - | - | 2374.00 | - | - | 2200.00 | 1992.00 | 5072.00 | 1047.00 | ||
| 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- | - | - | - | - | - | - | - | - | - | 7572.00 | 17107.00 | - | - | - | - | - | - | - | - | - | - | 3278.00 | - | 10816.00 | - | 6877.00 | - | 5620.00 | - | - | - | - | ||
| 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- | 8357.00 | 14455.00 | 21007.00 | 27979.00 | 36342.00 | 43910.00 | 34436.00 | 37152.00 | 44292.00 | 47847.00 | 46405.00 | 42928.00 | 27024.00 | 35474.00 | 33280.00 | 32830.00 | 24465.00 | 28585.00 | 41445.00 | 36196.00 | 29505.00 | 51766.00 | 24117.00 | 44914.00 | 39085.00 | 39405.00 | 16986.00 | 49491.00 | 13992.00 | 42168.00 | 18322.00 | 38451.00 | ||
| 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- | 345975.00 | 571477.00 | 913386.00 | 1124540.00 | 1390120.00 | 1743015.00 | 1335007.00 | 1392022.00 | 1841045.00 | 2035738.00 | 1996292.00 | 1933776.00 | 1186313.00 | 1510916.00 | 1454503.00 | 1417532.00 | 996641.00 | 1227933.00 | 1775936.00 | 1487405.00 | 1170007.00 | 2227731.00 | 1047785.00 | 1943971.00 | 1541338.00 | 1480357.00 | 609598.00 | 1854742.00 | 469190.00 | 1423718.00 | 609636.00 | 1553068.00 | ||
| 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- | 15181.00 | 51579.00 | 26672.00 | 79979.00 | 49270.00 | 75875.00 | 35171.00 | 75728.00 | 75765.00 | 120936.00 | 126198.00 | 71956.00 | 35349.00 | 79756.00 | 47935.00 | 44396.00 | 14788.00 | 25037.00 | 57692.00 | 58398.00 | 38695.00 | 134841.00 | 22686.00 | 82268.00 | 66467.00 | 57714.00 | - | 176771.00 | 16581.00 | 48224.00 | 43166.00 | 56537.00 | ||
| 1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)- | - | - | - | - | - | - | - | - | 110109.00 | - | 93072.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| 1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- | 9648.00 | 13289.00 | 5477.00 | 10294.00 | 9922.00 | 8379.00 | 10061.00 | 8441.00 | 7521.00 | 11549.00 | 5925.00 | 8500.00 | 8145.00 | 9641.00 | 5088.00 | 8558.00 | 2772.00 | 10399.00 | 8032.00 | 11081.00 | 9807.00 | 10220.00 | 8544.00 | 6909.00 | 11198.00 | 14591.00 | 13708.00 | 14212.00 | 9420.00 | 10370.00 | 11704.00 | 8522.00 | ||
| 1-METHYLADENOSINE (CAS# 15763-06-1); (M+HCOO)- | 2824.00 | 4355.00 | 1531.00 | 2594.00 | - | - | 3991.00 | - | - | 3123.00 | - | 3274.00 | - | 2900.00 | - | 2420.00 | - | 2680.00 | - | 2925.00 | 3214.00 | - | - | - | 2315.00 | - | 2845.00 | - | 1951.00 | - | 3239.00 | - | ||
| 1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)- | 180996.00 | 114333.00 | 67545.00 | 28943.00 | 969919.00 | 18373.00 | 4347.00 | 33893.00 | 12012.00 | 4110.00 | 9445.00 | 3393.00 | - | - | 11858.00 | - | 3348.00 | 54542.00 | 22848.00 | 101100.00 | 49767.00 | 6849.00 | 93171.00 | 13279.00 | 12721.00 | 51022.00 | 400253.00 | 225831.00 | 53775.00 | 5009.00 | 39858.00 | 18030.00 | ||
| 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- | - | - | - | - | - | 1300.00 | - | - | - | - | 2445.00 | 7213.00 | - | - | - | - | - | - | - | - | - | 2052.00 | - | 2684.00 | 1534.00 | 12763.00 | - | 19677.00 | 1841.00 | 12041.00 | - | 36660.00 | ||
| (2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)- | 127375.00 | 84375.00 | 131099.00 | 91914.00 | - | 92853.00 | 11075.00 | - | - | 125850.00 | - | 115553.00 | 92992.00 | - | 81296.00 | - | 54240.00 | 74658.00 | - | 106017.00 | 88361.00 | - | 94128.00 | - | - | 103303.00 | 66606.00 | - | 85631.00 | 121932.00 | - | 113762.00 | ||
| 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- | 412584.00 | 147681.00 | - | - | 219994.00 | 173933.00 | 116704.00 | - | 65256.00 | 66807.00 | 119047.00 | 82878.00 | 123259.00 | 175172.00 | - | 71589.00 | - | 79333.00 | 162259.00 | 138016.00 | 94743.00 | 183676.00 | 176656.00 | 222618.00 | 116626.00 | 92199.00 | 199567.00 | 103519.00 | - | 81754.00 | 44430.00 | 79604.00 | ||
| 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- | 606767.00 | 817738.00 | 376570.00 | 603729.00 | 615618.00 | 750018.00 | 737214.00 | 426890.00 | 394043.00 | 17761.00 | 470312.00 | 16995.00 | 555312.00 | 364460.00 | 667001.00 | 19959.00 | 498563.00 | 584532.00 | 18235.00 | 623114.00 | 296136.00 | 103073.00 | 365743.00 | 46873.00 | 704300.00 | 600307.00 | 753035.00 | 378947.00 | 630363.00 | 30822.00 | 406932.00 | 729501.00 | ||
| 2-HYDROXYBUTYRATE (CAS# ); (M-H)- | 33151.00 | 20766.00 | 20427.00 | 23606.00 | 24517.00 | 27391.00 | 41639.00 | 40241.00 | 22101.00 | 48827.00 | 23655.00 | 31402.00 | 36139.00 | 49516.00 | 27316.00 | 35205.00 | 14290.00 | 21476.00 | 31929.00 | 29576.00 | 46573.00 | 69135.00 | 29507.00 | 62003.00 | 33235.00 | 62697.00 | 50214.00 | 46103.00 | 29481.00 | 46290.00 | 33552.00 | 34434.00 | ||
| 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- | 21627.00 | 22836.00 | 6972.00 | 17232.00 | 22003.00 | 20180.00 | 20952.00 | 9640.00 | 18695.00 | 11537.00 | 16072.00 | 17985.00 | 15513.00 | 19005.00 | 15767.00 | - | - | 12780.00 | 5986.00 | 22321.00 | 15102.00 | 5953.00 | 12332.00 | 12466.00 | 22295.00 | 47132.00 | 23373.00 | 23140.00 | 14768.00 | 8298.00 | 20815.00 | 14305.00 | ||
| 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- | - | - | 2327.00 | - | 11659.00 | 12114.00 | - | - | 9449.00 | 17034.00 | 16424.00 | - | - | 16680.00 | - | 9958.00 | - | 14097.00 | 8996.00 | 17899.00 | 15095.00 | 20544.00 | 19138.00 | 2116.00 | 16414.00 | 13177.00 | - | 19918.00 | - | - | - | - | ||
| 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- | 78659.00 | 113097.00 | 95925.00 | 79056.00 | 136568.00 | 117210.00 | 134340.00 | 126160.00 | 86714.00 | 174039.00 | 89858.00 | 127569.00 | 62267.00 | 130618.00 | 68731.00 | 107048.00 | 33686.00 | 90145.00 | 109983.00 | 88339.00 | 129886.00 | 126596.00 | 100363.00 | 199292.00 | 93598.00 | 103914.00 | 89706.00 | 119843.00 | 65689.00 | 129346.00 | 112826.00 | 83046.00 | ||
| 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-... | - | - | - | - | 2504.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)- | 3493575.00 | 3750578.00 | 2299252.00 | 2529542.00 | 3932330.00 | 6768446.00 | 5039242.00 | 5117210.00 | 1032074.00 | 3525723.00 | 1220069.00 | 3479625.00 | 3014838.00 | 2168270.00 | 2731064.00 | 5513551.00 | 607319.00 | 1798915.00 | 2555588.00 | 2067959.00 | 396720.00 | 13487.00 | 475363.00 | 29626.00 | 462561.00 | 1121626.00 | 792257.00 | 714190.00 | 3756975.00 | 327266.00 | 6431919.00 | 318815.00 | ||
| 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- | 62371.00 | 97139.00 | 54122.00 | 77392.00 | 74679.00 | 75920.00 | 36881.00 | 78132.00 | 68463.00 | 81148.00 | 38137.00 | 63505.00 | 60777.00 | 68975.00 | 53183.00 | 78794.00 | 9543.00 | 51471.00 | 75137.00 | 69635.00 | 93135.00 | 91664.00 | 58471.00 | 162578.00 | 67747.00 | 153088.00 | 88112.00 | 83024.00 | 80906.00 | 75678.00 | 94459.00 | 97384.00 | ||
| 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- | 10532.00 | 22379.00 | 6693.00 | 15671.00 | 10033.00 | 8968.00 | 12348.00 | 9776.00 | 14499.00 | 8547.00 | 9398.00 | 11650.00 | 11421.00 | 14835.00 | 10302.00 | 8347.00 | 4631.00 | 14181.00 | 8625.00 | 9387.00 | 11026.00 | 10638.00 | 8610.00 | 6821.00 | 12926.00 | 11657.00 | 16374.00 | 10320.00 | 12707.00 | 12570.00 | 19906.00 | 8197.00 | ||
| 3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9683.00 | - | 26163.00 | - | - | - | - | - | - | - | - | ||
| 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- | 32461.00 | - | 13417.00 | - | - | - | - | 2646.00 | 13428.00 | - | 10611.00 | - | - | - | - | - | 37295.00 | - | - | 57285.00 | 162440.00 | - | 142467.00 | - | - | - | - | - | 18768.00 | - | 53304.00 | - | ||
| 3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 6672.00 | - | - | 6887.00 | - | - | - | ||
| 3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)- | - | 1716.00 | - | 1072.00 | - | - | - | 2120.00 | - | 1306.00 | - | - | - | 1743.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1679.00 | - | - | ||
| 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- | 21797.00 | 22836.00 | 6972.00 | 17247.00 | 22003.00 | 20180.00 | 20824.00 | 9707.00 | 18695.00 | 11537.00 | 17314.00 | 17985.00 | 15513.00 | 21917.00 | 14700.00 | - | - | 12780.00 | 6005.00 | 22321.00 | 15102.00 | 4893.00 | 12332.00 | 15031.00 | 22295.00 | 47132.00 | 23362.00 | 24150.00 | 14768.00 | 8200.00 | 19611.00 | 15756.00 | ||
| 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- | - | - | - | - | 4811.00 | - | - | 3709.00 | - | 3735.00 | - | - | - | 6553.00 | 3817.00 | - | - | 2687.00 | - | - | 3511.00 | 4100.00 | - | - | - | 6769.00 | 5098.00 | - | - | 4151.00 | 3211.00 | 3388.00 | ||
| 3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)- | 180996.00 | 114062.00 | 67447.00 | 113941.00 | 969919.00 | 18373.00 | 368350.00 | 33893.00 | 45015.00 | 164484.00 | 46346.00 | - | - | - | 11858.00 | - | - | 72314.00 | 4878.00 | 101100.00 | 17714.00 | 6849.00 | 44092.00 | 13279.00 | 12721.00 | 54352.00 | 400247.00 | 225831.00 | 73642.00 | 4920.00 | 39858.00 | 18030.00 | ||
| 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)- | 15460.00 | 32036.00 | 12287.00 | 22321.00 | 24527.00 | - | 28674.00 | - | 11381.00 | 22482.00 | 15260.00 | - | - | - | - | 21901.00 | 6740.00 | 15777.00 | 25378.00 | 22183.00 | 15636.00 | 25595.00 | 18887.00 | - | 25205.00 | 53874.00 | 25865.00 | 43697.00 | 15644.00 | 29794.00 | - | 18943.00 | ||
| 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- | - | - | - | - | - | 2921419.00 | - | - | 6426.00 | 9897.00 | 7623542.00 | 9327075.00 | 7597.00 | - | 8556445.00 | 2571746.00 | 3146575.00 | - | 211404.00 | - | - | - | - | 13500000.00 | 2722.00 | - | 12881.00 | - | - | 2604.00 | 7547375.00 | - | ||
| 4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- | 10544.00 | 22320.00 | 6791.00 | 15707.00 | 9985.00 | 8634.00 | 11380.00 | 9776.00 | 14292.00 | 8547.00 | 10549.00 | 10678.00 | 11157.00 | 15024.00 | 10440.00 | 8061.00 | 4447.00 | 13996.00 | 8955.00 | 9387.00 | 11073.00 | 10872.00 | 8371.00 | 6821.00 | 12926.00 | 10379.00 | 16817.00 | 10320.00 | 12084.00 | 12318.00 | 19840.00 | 7888.00 | ||
| 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- | 18603.00 | 1257.00 | 11097.00 | 2701.00 | 2707.00 | - | 29889.00 | - | 1896.00 | 77966.00 | 3891.00 | 1088.00 | 1847.00 | 4120.00 | - | 2244.00 | - | 2363.00 | 2026.00 | 1857.00 | 7523.00 | 1405.00 | 21373.00 | - | - | 2641.00 | 1837.00 | 2163.00 | 6821.00 | 3440.00 | 11652.00 | 1315.00 | ||
| 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- | 2089143.00 | 2205483.00 | 2411359.00 | 1726911.00 | 3110124.00 | 4403175.00 | 3365932.00 | 2754395.00 | 2163998.00 | 3561111.00 | 2545038.00 | 3649938.00 | 3349688.00 | 4349481.00 | 3518382.00 | 3441594.00 | 1234189.00 | 1958816.00 | 3687027.00 | 2454799.00 | 3676823.00 | 4452023.00 | 2782967.00 | 5736005.00 | 2644016.00 | 2794217.00 | 2081596.00 | 4023951.00 | 2056502.00 | 3700590.00 | 3434258.00 | 2754108.00 | ||
| 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- | 2089062.00 | 2205043.00 | 2411315.00 | 1726888.00 | 3110124.00 | 4400970.00 | 3366585.00 | 2754221.00 | 2164160.00 | 3560798.00 | 2544812.00 | 3649656.00 | 3349567.00 | 4349921.00 | 3518449.00 | 3441594.00 | 1234168.00 | 1958735.00 | 3686881.00 | 2454543.00 | 3676832.00 | 4451810.00 | 2781763.00 | 5735796.00 | 2644365.00 | 2794095.00 | 2081508.00 | 4023862.00 | 2056461.00 | 3700412.00 | 3438191.00 | 2753883.00 | ||
| 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- | 16431.00 | 22082.00 | 11657.00 | 17137.00 | 28596.00 | 26731.00 | 26960.00 | 27141.00 | 25300.00 | 28021.00 | 28846.00 | 26852.00 | 23858.00 | 31799.00 | 23536.00 | 24956.00 | 8357.00 | 24683.00 | 22428.00 | 29227.00 | 27738.00 | 27942.00 | 23652.00 | 27432.00 | 27276.00 | 28676.00 | 24559.00 | 29454.00 | 14555.00 | 28429.00 | 28282.00 | 28419.00 | ||
| 4-NITROPHENOL (CAS# 100-02-7); (M-H)- | 75738.00 | 88847.00 | 59659.00 | 72713.00 | 89301.00 | 84630.00 | 83015.00 | 88974.00 | 75955.00 | 86910.00 | 84339.00 | 112506.00 | 243735.00 | 94492.00 | 78315.00 | 84319.00 | 26079.00 | 83907.00 | 77716.00 | 99006.00 | 94057.00 | 101513.00 | 73996.00 | 97428.00 | 95557.00 | 101068.00 | 90933.00 | 104514.00 | 53795.00 | 104242.00 | 95732.00 | 91836.00 | ||
| 4-PYRIDOXATE (CAS# 82-82-6); (M-H)- | 42280.00 | - | - | 39104.00 | 76452.00 | 43927.00 | 135017.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 54119.00 | - | 93999.00 | 65331.00 | 71547.00 | 151168.00 | - | 214978.00 | 47462.00 | 330409.00 | 37424.00 | ||
| 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- | - | - | - | - | - | - | - | 4485.00 | - | - | - | - | 1909.00 | - | - | - | - | 1582.00 | 2730.00 | - | 4028.00 | 3916.00 | 2263.00 | - | 1148.00 | 2697.00 | - | - | - | - | - | 1047.00 | ||
| 5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)- | - | - | - | - | - | - | - | - | 520970.00 | - | 84283.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- | 5145.00 | 4035.00 | 4737.00 | 7233.00 | 6183.00 | - | - | 5704.00 | - | 6024.00 | 4512.00 | - | 5487.00 | - | 5901.00 | - | 1924.00 | - | 6447.00 | 7998.00 | 4044.00 | 8778.00 | 4284.00 | 7781.00 | 6478.00 | - | 9143.00 | 12006.00 | 6157.00 | 8001.00 | 5714.00 | 5851.00 | ||
| 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- | - | 1484.00 | 1033.00 | - | 3374.00 | - | 3096.00 | - | - | 2617.00 | - | 2309.00 | - | - | - | - | - | 1313.00 | 1319.00 | - | 2358.00 | - | 2253.00 | - | - | - | 1363.00 | - | - | - | - | - | ||
| 5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- | - | - | 12385.00 | - | - | - | 20947.00 | - | - | - | - | 31237.00 | 16841.00 | 46976.00 | - | - | 8979.00 | 15734.00 | - | 21822.00 | 24616.00 | - | 21553.00 | 24920.00 | - | - | 19128.00 | - | - | - | 16846.00 | - | ||
| 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- | - | - | - | - | 4811.00 | - | - | 3709.00 | - | 3735.00 | - | - | - | 6553.00 | 3817.00 | - | - | 2738.00 | - | - | 3511.00 | 4100.00 | - | - | - | 6769.00 | 5098.00 | - | - | 4140.00 | 3211.00 | 3388.00 | ||
| ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)- | - | - | - | - | - | 57917.00 | - | - | - | - | 227840.00 | 201818.00 | - | - | 197524.00 | 71565.00 | 50867.00 | - | - | - | - | - | - | 233536.00 | - | - | - | - | - | - | 122739.00 | - | ||
| ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- | - | - | - | - | - | - | - | - | 27311.00 | - | - | - | - | - | - | - | - | 22146.00 | - | - | - | - | - | - | - | - | 31900.00 | - | - | 6937.00 | - | - | ||
| ADIPIC ACID (CAS# 124-04-9 ); (M-H)- | 21797.00 | 22836.00 | 6972.00 | 17247.00 | 22003.00 | 20180.00 | 20824.00 | 9707.00 | 18695.00 | 11537.00 | 17314.00 | 17985.00 | 15513.00 | 21917.00 | 14700.00 | - | - | 12780.00 | 6005.00 | 22321.00 | 15102.00 | 4893.00 | 12332.00 | 15031.00 | 22295.00 | 47132.00 | 23362.00 | 24150.00 | 14768.00 | 8200.00 | 19452.00 | 15756.00 | ||
| ALLANTOIN (CAS# 97-59-6); (M-H)- | - | - | - | 5757.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1061.00 | - | - | - | - | - | - | - | - | - | ||
| ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] | 65453.00 | 94822.00 | 45902.00 | 75769.00 | 70874.00 | 73314.00 | 79716.00 | 78132.00 | 71589.00 | 75770.00 | 62578.00 | 55514.00 | 59801.00 | 57595.00 | 53183.00 | 81058.00 | 9400.00 | 52218.00 | 75137.00 | 68056.00 | 93135.00 | 91664.00 | 59345.00 | 161955.00 | 68126.00 | 153088.00 | 106880.00 | 83147.00 | 73838.00 | 90754.00 | 91114.00 | 78458.00 | ||
| ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- | 30485.00 | 20766.00 | 21293.00 | 23606.00 | - | 42638.00 | 41639.00 | 40241.00 | 22101.00 | 48827.00 | 23655.00 | 31402.00 | 36139.00 | 49516.00 | 27316.00 | 35205.00 | 15211.00 | 22303.00 | 31929.00 | 29576.00 | 46573.00 | 70132.00 | 30580.00 | 62003.00 | 33235.00 | 62697.00 | 50214.00 | 46103.00 | 29481.00 | 46290.00 | 33552.00 | 34434.00 | ||
| ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- | 908925.00 | 844368.00 | 864755.00 | 1609616.00 | 1414709.00 | 1469798.00 | 1392474.00 | 1015429.00 | 1490619.00 | 1641372.00 | 1151993.00 | 1683410.00 | 1458845.00 | 1512411.00 | 1291263.00 | 1581664.00 | 1263717.00 | 1148503.00 | 1613914.00 | 1329805.00 | 1453060.00 | 1551841.00 | 1202419.00 | 1386515.00 | 1596954.00 | 1628355.00 | 1556411.00 | 1387032.00 | 1414060.00 | 1594860.00 | 1559340.00 | 1573210.00 | ||
| ARABITOL (CAS# 7643-75-6); (M+HCOO)- | - | 22626.00 | - | 15583.00 | 7862.00 | - | 5169.00 | - | 4123.00 | 16715.00 | 5813.00 | - | - | - | - | - | 3135.00 | 9585.00 | 5459.00 | 11115.00 | 11218.00 | - | 7959.00 | - | - | - | - | 16691.00 | 12455.00 | - | 13433.00 | - | ||
| ARACHIDIC ACID (CAS# 506-30-9); (M-H)- | 10748.00 | 19747.00 | 14897.00 | 46728.00 | 46422.00 | 72469.00 | 43894.00 | 33010.00 | 64944.00 | 62644.00 | 40292.00 | 57482.00 | 42187.00 | 54844.00 | 38352.00 | 43327.00 | 20710.00 | 27045.00 | 57392.00 | 42829.00 | 55173.00 | 64214.00 | 36566.00 | 51208.00 | 52815.00 | 88061.00 | 40749.00 | 39441.00 | 40238.00 | 41253.00 | 83384.00 | 59205.00 | ||
| ARACHIDONATE (CAS# 506-32-1); (M-H)- | 1765928.00 | 1762078.00 | 965576.00 | 1586039.00 | 1769625.00 | 1685776.00 | 1772827.00 | 1926537.00 | 1798663.00 | 1718027.00 | 1505402.00 | 1635422.00 | 1596473.00 | 2099590.00 | 1686652.00 | 1858583.00 | 734360.00 | 937584.00 | 1832101.00 | 1355158.00 | 1968530.00 | 2038344.00 | 1357454.00 | 1838644.00 | 1844170.00 | 2596798.00 | 2393098.00 | 2810294.00 | 927930.00 | 1936493.00 | 1831606.00 | 2353915.00 | ||
| AZELAIC ACID (CAS# 123-99-9); (M-H)- | 33441.00 | 34241.00 | 33028.00 | 34238.00 | 44500.00 | 44916.00 | 47472.00 | 42038.00 | 40490.00 | 45961.00 | 33064.00 | 45570.00 | 37512.00 | 99138.00 | 53355.00 | 38001.00 | 19674.00 | 35753.00 | 38729.00 | 52275.00 | 41991.00 | 45389.00 | 32567.00 | 45833.00 | 40241.00 | 63927.00 | 51457.00 | 47361.00 | 38768.00 | 53166.00 | 49101.00 | 41213.00 | ||
| BEHENIC ACID (CAS# 112-85-6); (M-H)- | 7907.00 | 22518.00 | 23823.00 | 39712.00 | 48686.00 | 76711.00 | 42901.00 | 46044.00 | 83989.00 | 51197.00 | 42570.00 | 51798.00 | 37009.00 | 61972.00 | 46446.00 | 51280.00 | 20869.00 | 28288.00 | 109330.00 | 43636.00 | 42252.00 | 62115.00 | 41423.00 | 50681.00 | 56284.00 | 59295.00 | 30345.00 | 48656.00 | 31203.00 | 42938.00 | 68052.00 | 81823.00 | ||
| BENZOATE (CAS# 65-85-0); (M-H)- | 10541.00 | 22301.00 | 6791.00 | 15707.00 | 9985.00 | 8634.00 | 11380.00 | 9776.00 | 14292.00 | 8547.00 | 10520.00 | 10678.00 | 11157.00 | 14980.00 | 10440.00 | 8063.00 | 4447.00 | 13996.00 | 8955.00 | 9387.00 | 11073.00 | 10877.00 | 8315.00 | 7440.00 | 12926.00 | 10379.00 | 16856.00 | 10320.00 | 12084.00 | 12318.00 | 19840.00 | 7888.00 | ||
| BETA-MALTOSE (CAS# 69-79-4); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| BILIVERDIN (CAS# 114-25-0); (M-H)- | 1386.00 | 2529.00 | - | 3396.00 | - | 2615.00 | 2424.00 | 4508.00 | - | 2073.00 | - | 2411.00 | - | 1464.00 | 1418.00 | 1013.00 | - | - | - | 1403.00 | 3268.00 | - | 1340.00 | 3409.00 | 3605.00 | 5327.00 | 6795.00 | 2181.00 | 2398.00 | - | 1620.00 | 2437.00 | ||
| CATECHOL (CAS# 120-80-9); (M-H)- | 17060.00 | 24873.00 | 12478.00 | 7266.00 | 68566.00 | 16246.00 | 89720.00 | 16206.00 | 37264.00 | 32065.00 | 37797.00 | 6384.00 | 12581.00 | 15414.00 | 5345.00 | 11457.00 | 3218.00 | 24297.00 | 7152.00 | 23545.00 | 11114.00 | 13240.00 | 25144.00 | - | 22621.00 | 21045.00 | 16751.00 | 71107.00 | 19971.00 | 32527.00 | 34934.00 | 27077.00 | ||
| CELLOBIOSE (CAS# 528-50-7); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| CHOLATE (CAS# 81-25-4); (M+CL)- | - | - | 2285.00 | - | - | - | - | - | 1786.00 | - | 7861.00 | - | 2159.00 | - | 9722.00 | - | - | - | 5503.00 | - | - | - | 5320.00 | - | - | - | - | - | - | - | - | - | ||
| CHOLATE (CAS# 81-25-4); (M-H)- | - | 2015.00 | 45544.00 | 8747.00 | - | 5891.00 | 3779.00 | 6608.00 | 35658.00 | 18871.00 | 155904.00 | 18479.00 | 39782.00 | 4527.00 | 180601.00 | 11169.00 | 1505.00 | - | 143775.00 | 2884.00 | - | 2654.00 | 116022.00 | 4574.00 | - | 4311.00 | 3751.00 | 13315.00 | 1049.00 | 16564.00 | 3957.00 | 11890.00 | ||
| CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- | 112093.00 | 142818.00 | 54204.00 | 409051.00 | 175583.00 | 245069.00 | 250704.00 | 112341.00 | 304555.00 | 294597.00 | 155164.00 | 495561.00 | 270917.00 | 302580.00 | 212572.00 | 215950.00 | 126669.00 | 90448.00 | 369115.00 | 159649.00 | 313988.00 | 193189.00 | 194618.00 | 215070.00 | 481420.00 | 153444.00 | 272191.00 | 111267.00 | 314447.00 | 186227.00 | 794202.00 | 442692.00 | ||
| CIS-ACONITATE (CAS# 585-84-2); (M-H)- | 273764.00 | 323083.00 | 628444.00 | 354276.00 | 350799.00 | 302067.00 | 354423.00 | 264978.00 | 261549.00 | 444365.00 | 330570.00 | 580308.00 | 228293.00 | 329818.00 | 257155.00 | 390657.00 | 375607.00 | 225882.00 | 611713.00 | 275933.00 | 313463.00 | 423162.00 | 441364.00 | 427208.00 | 332742.00 | 685699.00 | 436280.00 | 346470.00 | 347990.00 | 418019.00 | 332039.00 | 336853.00 | ||
| CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- | 11000000.00 | 10000000.00 | 7396259.00 | 17600000.00 | 13200000.00 | 14100000.00 | 14900000.00 | 9175349.00 | 18600000.00 | 18500000.00 | 12400000.00 | 21500000.00 | 16200000.00 | 16600000.00 | 12700000.00 | 16300000.00 | 11800000.00 | 11500000.00 | 17800000.00 | 14600000.00 | 15500000.00 | 11900000.00 | 13600000.00 | 11800000.00 | 17500000.00 | 26200000.00 | 17000000.00 | 12700000.00 | 17100000.00 | 15000000.00 | 19500000.00 | 16700000.00 | ||
| CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- | 423722.00 | 481299.00 | 327855.00 | 435416.00 | 540753.00 | 554749.00 | 550076.00 | 555605.00 | 526450.00 | 557910.00 | 573388.00 | 563130.00 | 521914.00 | 567860.00 | 521322.00 | 544153.00 | 244924.00 | 525986.00 | 460312.00 | 577193.00 | 568128.00 | 558494.00 | 491625.00 | 567178.00 | 605588.00 | 592312.00 | 552627.00 | 596424.00 | 421338.00 | 607430.00 | 606135.00 | 593783.00 | ||
| CIS-ZEATIN (CAS# 1637-39-4); (M-H)- | 796044.00 | 912069.00 | 611279.00 | 791511.00 | 942518.00 | 939404.00 | 975522.00 | 996848.00 | 943667.00 | 994544.00 | 1013680.00 | 1024521.00 | 920267.00 | 1024847.00 | 941093.00 | 957338.00 | 432466.00 | 901976.00 | 821574.00 | 1033738.00 | 1029917.00 | 1000568.00 | 889397.00 | 983351.00 | 1023351.00 | 1007147.00 | 904124.00 | 1000165.00 | 656567.00 | 948666.00 | 972134.00 | 916514.00 | ||
| CITRAMALATE (CAS# 2306-22-1); (M-H)- | 31910.00 | 126792.00 | 35358.00 | 53357.00 | 15696.00 | - | 21310.00 | - | 32358.00 | 57517.00 | 32300.00 | 40446.00 | - | 72655.00 | - | 45923.00 | 12184.00 | - | 67410.00 | - | - | 32702.00 | 21328.00 | 39312.00 | - | 32289.00 | 38612.00 | 80677.00 | 18060.00 | 50691.00 | 33292.00 | 43398.00 | ||
| CITRATE (CAS# 77-92-9); (M-H)- | 5503934.00 | 5868838.00 | 8218481.00 | 6045525.00 | 7429015.00 | 7123876.00 | 7473465.00 | 7276918.00 | 6216418.00 | 6626011.00 | 6708971.00 | 7270895.00 | 6586838.00 | 5816621.00 | 5977430.00 | 5883988.00 | 3392491.00 | 5811701.00 | 5991621.00 | 7481940.00 | 6039081.00 | 6191322.00 | 6915558.00 | 6058043.00 | 6700839.00 | 9009253.00 | 7148291.00 | 6596480.00 | 10700000.00 | 7322222.00 | 7647425.00 | 5878857.00 | ||
| CITRULLINE (CAS# 372-75-8); (M-H)- | 13297.00 | - | 17914.00 | 17977.00 | 26861.00 | 23679.00 | 30395.00 | 26628.00 | 27189.00 | 21709.00 | 18645.00 | 17550.00 | 18774.00 | 14456.00 | 24589.00 | - | 8669.00 | 25894.00 | 16533.00 | 29146.00 | 17647.00 | 47707.00 | 24262.00 | 64518.00 | 27812.00 | 34299.00 | 29906.00 | 41199.00 | - | 29006.00 | 25286.00 | 26692.00 | ||
| CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- | - | 2819.00 | 1444.00 | 1129.00 | 2733.00 | 2781.00 | 4537.00 | - | - | - | 1993.00 | 1846.00 | 2080.00 | - | 1803.00 | - | - | - | 1185.00 | - | 1309.00 | - | 4384.00 | - | - | 2374.00 | - | - | 2200.00 | 1992.00 | 5072.00 | 1047.00 | ||
| CORTISOL (CAS# 50-23-7); (M+CL)- | 15032.00 | 22258.00 | 16048.00 | 14175.00 | 21311.00 | 33103.00 | 35989.00 | 30363.00 | 14724.00 | 9741.00 | 27967.00 | 23213.00 | 30151.00 | - | 22193.00 | 19975.00 | 8751.00 | 14780.00 | 51678.00 | 21298.00 | 23317.00 | 31996.00 | 26298.00 | 43270.00 | 43050.00 | 73265.00 | 28852.00 | 35982.00 | 21945.00 | 54327.00 | 54048.00 | 34632.00 | ||
| CORTISOL (CAS# 50-23-7); (M+HCOO)- | 100134.00 | 136147.00 | 101043.00 | 88250.00 | 126325.00 | 182353.00 | 200909.00 | 169203.00 | 89437.00 | 56832.00 | 169435.00 | 138009.00 | 179042.00 | 43237.00 | 130043.00 | 118250.00 | 54744.00 | 98857.00 | 307432.00 | 121572.00 | 135281.00 | 190038.00 | 157092.00 | 239761.00 | 233377.00 | 391323.00 | 152851.00 | 192170.00 | 117494.00 | 265917.00 | 254934.00 | 175865.00 | ||
| CORTISONE (CAS# 53-06-5); (M+CL)- | 5144.00 | 4612.00 | 4636.00 | 5261.00 | 11384.00 | 15526.00 | 11363.00 | 17336.00 | 7766.00 | 6283.00 | 10154.00 | 12101.00 | 11142.00 | - | 10436.00 | 11737.00 | 3773.00 | 6691.00 | 12647.00 | 11451.00 | 9326.00 | 11976.00 | 8443.00 | 13108.00 | 13931.00 | 16599.00 | 10867.00 | 15272.00 | 6784.00 | 21666.00 | 13227.00 | 16793.00 | ||
| CORTISONE (CAS# 53-06-5); (M+HCOO)- | 20078.00 | 17311.00 | 18853.00 | 18777.00 | 34919.00 | 52581.00 | 38569.00 | 54902.00 | 27651.00 | 22651.00 | 33765.00 | 46744.00 | 38166.00 | - | 35253.00 | 38228.00 | 14530.00 | 26317.00 | 49364.00 | 43097.00 | 31886.00 | 41098.00 | 27862.00 | 47087.00 | 46564.00 | 55780.00 | 33933.00 | 49796.00 | 20961.00 | 55924.00 | 38657.00 | 53323.00 | ||
| CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- | 33441.00 | 34241.00 | 33028.00 | 34238.00 | 44500.00 | 44916.00 | 47472.00 | 42038.00 | 40490.00 | 45961.00 | 33064.00 | 46224.00 | 37512.00 | 99138.00 | 53355.00 | 38001.00 | 19674.00 | 32737.00 | 38729.00 | 52275.00 | 41991.00 | 45389.00 | 32567.00 | 45833.00 | 40241.00 | 63927.00 | 51457.00 | 47361.00 | 38768.00 | 53166.00 | 49101.00 | 41213.00 | ||
| CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)- | - | - | - | - | 7497.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 14261.00 | - | - | ||
| D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- | - | 82036.00 | 50759.00 | 50996.00 | - | - | - | 42587.00 | 71791.00 | 60031.00 | 55610.00 | - | - | - | - | - | 26911.00 | 57016.00 | 37781.00 | 51533.00 | 48121.00 | 55173.00 | - | - | 36377.00 | - | 59806.00 | 60667.00 | 38111.00 | 57416.00 | 48547.00 | 57607.00 | ||
| DECANOATE (CAS# 334-48-5); (M-H)- | 6342.00 | 11789.00 | 15570.00 | 18695.00 | 33539.00 | 27163.00 | 27464.00 | 25408.00 | 18446.00 | 40801.00 | 19620.00 | 23245.00 | 17900.00 | 21860.00 | 18395.00 | 23790.00 | 14208.00 | 15235.00 | 23115.00 | 20378.00 | 19328.00 | 39433.00 | 18295.00 | 27987.00 | 27781.00 | 31407.00 | 28729.00 | 26208.00 | 18604.00 | 27826.00 | 21134.00 | 26866.00 | ||
| DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- | 269142.00 | - | - | 307799.00 | 471434.00 | 442508.00 | 493103.00 | 490681.00 | 387653.00 | 626627.00 | 470878.00 | 612446.00 | 322773.00 | - | 398551.00 | - | 28104.00 | 395062.00 | 96913.00 | 526842.00 | 299299.00 | 565584.00 | 89877.00 | 572595.00 | 393378.00 | 913231.00 | - | 595375.00 | - | 531107.00 | 591550.00 | 419550.00 | ||
| DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- | 34139.00 | - | 7984.00 | 8011.00 | 12774.00 | 15790.00 | 15499.00 | 19444.00 | 12799.00 | 16902.00 | 10788.00 | 10022.00 | 28866.00 | 23982.00 | 13988.00 | 17413.00 | 4242.00 | 14680.00 | 18247.00 | 20387.00 | 27367.00 | 44505.00 | 17367.00 | 26865.00 | 21720.00 | 34207.00 | 55710.00 | 20921.00 | 3145.00 | 16210.00 | - | 19548.00 | ||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- | - | - | - | - | - | 2641.00 | - | - | - | - | - | - | - | - | - | - | - | - | 2552.00 | - | - | 1433.00 | 6334.00 | - | - | - | 2466.00 | - | - | 3904.00 | - | 2054.00 | ||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- | 14518.00 | 22573.00 | 52132.00 | 15968.00 | 113548.00 | 77569.00 | 47183.00 | 29838.00 | 45122.00 | - | 59639.00 | - | 35141.00 | 36090.00 | 22332.00 | 19712.00 | 14956.00 | 30375.00 | 76797.00 | - | 13105.00 | 39321.00 | 128936.00 | 32282.00 | 55279.00 | 8099.00 | 108204.00 | 68458.00 | 7751.00 | 134982.00 | 19114.00 | 94772.00 | ||
| DEOXYCYTIDINE (CAS# 951-77-9); (M-H)- | - | - | - | 2194.00 | - | 1809.00 | 1623.00 | - | - | - | 3102.00 | - | - | - | - | 3068.00 | - | 1627.00 | - | 2952.00 | - | - | - | - | 2038.00 | - | - | - | - | - | 1442.00 | 2231.00 | ||
| DEOXYURIDINE (CAS# 951-78-0); (M+CL)- | - | 27723.00 | - | 18433.00 | 21765.00 | - | 28721.00 | 18846.00 | 14972.00 | - | 11692.00 | 11845.00 | 16088.00 | - | 15972.00 | 6132.00 | 1601.00 | 15424.00 | 8566.00 | 16891.00 | 23006.00 | 24426.00 | 19716.00 | 14561.00 | 27080.00 | 20386.00 | 20231.00 | - | 22300.00 | 20822.00 | 17107.00 | 20753.00 | ||
| DIACETYL (CAS# 431-03-8); (M+HCOO)- | 5771.00 | 54123.00 | 5168.00 | 27528.00 | - | 6883.00 | 10423.00 | 9788.00 | 7215.00 | 26662.00 | 7615.00 | 10035.00 | 8736.00 | 27643.00 | 12847.00 | 11328.00 | - | - | 10108.00 | 8490.00 | 9294.00 | 50001.00 | 8268.00 | 42739.00 | 8970.00 | 17188.00 | 11349.00 | 51252.00 | 8829.00 | 13076.00 | 10817.00 | 9604.00 | ||
| D-LYXOSE (CAS# 1114-34-7); (M-H)- | 28709.00 | 68644.00 | 21712.00 | 41382.00 | 54314.00 | 34561.00 | 44100.00 | 37454.00 | 49429.00 | 41752.00 | 36393.00 | 34710.00 | 22078.00 | 52520.00 | 21790.00 | 31962.00 | 5555.00 | 43655.00 | 29796.00 | 62453.00 | 33390.00 | 53135.00 | 34101.00 | 53080.00 | 31102.00 | 53685.00 | 42470.00 | - | 24720.00 | 58322.00 | 43035.00 | 53447.00 | ||
| D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- | - | 82036.00 | 50759.00 | 53607.00 | - | - | - | 42587.00 | 73131.00 | 61229.00 | 55610.00 | - | - | - | - | - | 26911.00 | 58040.00 | 37781.00 | 51533.00 | 48121.00 | 55173.00 | - | - | 36377.00 | - | 59806.00 | 60667.00 | 38111.00 | 57416.00 | 48547.00 | 57607.00 | ||
| DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- | 829863.00 | 576282.00 | 441316.00 | 691804.00 | 1654578.00 | 1221159.00 | 1757277.00 | 736534.00 | 1581290.00 | 1285625.00 | 1389355.00 | 1538811.00 | 1144283.00 | 976089.00 | 1486510.00 | 832472.00 | 415665.00 | 644199.00 | 1264518.00 | 950738.00 | 1182685.00 | 1598253.00 | 807739.00 | 843649.00 | 2884979.00 | 2552880.00 | 3108122.00 | 1644367.00 | 920091.00 | 1806974.00 | 2379477.00 | 1947585.00 | ||
| D-ORNITHINE (CAS# 348-66-3); (M-H)- | 12606.00 | 16923.00 | 12756.00 | 17030.00 | 15822.00 | 14971.00 | 15086.00 | 15128.00 | 18249.00 | 15400.00 | 15059.00 | 10733.00 | 16078.00 | 11107.00 | 17373.00 | - | 5310.00 | 19923.00 | 7404.00 | 17331.00 | 19110.00 | 24824.00 | 12348.00 | 32766.00 | 19551.00 | 21532.00 | 18376.00 | 22471.00 | 23249.00 | 16537.00 | 16794.00 | 16935.00 | ||
| EDTA (CAS# 60-00-4); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3068064.00 | - | - | - | - | - | - | - | - | 18300000.00 | - | - | - | - | - | - | ||
| ELAIDIC ACID (CAS# 112-79-8); (M-H)- | 11000000.00 | 10000000.00 | 7396259.00 | 17600000.00 | 13200000.00 | 14100000.00 | 14900000.00 | 9175349.00 | 18600000.00 | 18500000.00 | 12400000.00 | 21500000.00 | 16200000.00 | 16600000.00 | 12700000.00 | 16300000.00 | 11800000.00 | 11500000.00 | 17800000.00 | 14600000.00 | 15500000.00 | 11900000.00 | 13600000.00 | 11800000.00 | 17500000.00 | 26200000.00 | 17000000.00 | 12700000.00 | 17100000.00 | 15000000.00 | 19500000.00 | 16700000.00 | ||
| EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- | 23753.00 | 28792.00 | 19938.00 | 31452.00 | 39943.00 | 41044.00 | 41263.00 | 37453.00 | 37161.00 | 35833.00 | 35408.00 | 36045.00 | 30199.00 | 36570.00 | 30184.00 | 29187.00 | 9246.00 | 28608.00 | 26117.00 | 35704.00 | 36990.00 | 31003.00 | 28140.00 | 36935.00 | 38270.00 | 42760.00 | 33385.00 | 44972.00 | 23929.00 | 44222.00 | 46951.00 | 40971.00 | ||
| EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- | 354353.00 | 451294.00 | 300623.00 | 419945.00 | 553094.00 | 539558.00 | 542617.00 | 528858.00 | 484648.00 | 551186.00 | 532572.00 | 540602.00 | 416736.00 | 523944.00 | 439519.00 | 450453.00 | 131850.00 | 420226.00 | 369076.00 | 517470.00 | 521759.00 | 477124.00 | 404389.00 | 485028.00 | 491832.00 | 558080.00 | 430119.00 | 539435.00 | 283000.00 | 529299.00 | 526482.00 | 509335.00 | ||
| ERUCIC ACID (CAS# 112-86-7); (M-H)- | 4907.00 | 9241.00 | 7027.00 | 26545.00 | 8699.00 | 23661.00 | 12305.00 | 7483.00 | 19351.00 | 24225.00 | 15066.00 | 43617.00 | 12219.00 | 20425.00 | 10663.00 | 13126.00 | 6365.00 | 7601.00 | 24907.00 | 14500.00 | 20169.00 | 23752.00 | 9776.00 | 20511.00 | 26023.00 | 51192.00 | 16158.00 | 12815.00 | 10608.00 | 10595.00 | 24781.00 | 20906.00 | ||
| ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- | 3457.00 | 21602.00 | - | 13648.00 | 19270.00 | 11945.00 | 28609.00 | 9392.00 | - | 20570.00 | - | 13650.00 | 12643.00 | 12749.00 | - | - | 1566.00 | 22332.00 | - | 26655.00 | 79029.00 | 18080.00 | 59648.00 | - | 14099.00 | 13803.00 | 11382.00 | 26219.00 | 13627.00 | 13282.00 | 22681.00 | 2715.00 | ||
| FRUCTOSE (CAS# 57-48-7); (M+HCOO)- | - | 8354.00 | 5211.00 | 6348.00 | 4407.00 | 7589.00 | 5996.00 | 7951.00 | 6905.00 | 7314.00 | 8571.00 | 8701.00 | 7595.00 | 9190.00 | 7783.00 | 9320.00 | 1642.00 | 6639.00 | - | 8449.00 | 7164.00 | 10962.00 | 8616.00 | 10320.00 | 7184.00 | 10026.00 | 9375.00 | 8909.00 | - | 10082.00 | 9097.00 | 8422.00 | ||
| GALACTARATE (CAS# 526-99-8); (M-H)- | 5062.00 | - | 11766.00 | - | - | 6593.00 | - | 1863.00 | 3903.00 | 10592.00 | - | 6081.00 | 2338.00 | - | 8537.00 | - | 94583.00 | 4033.00 | 4419.00 | - | 1812.00 | 33133.00 | - | - | - | - | - | - | - | - | 4683.00 | - | ||
| GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- | 15911.00 | 30319.00 | 16573.00 | 15126.00 | 11591.00 | 11216.00 | 11263.00 | 49789.00 | 11302.00 | 11593.00 | 11606.00 | 9948.00 | 9690.00 | 11124.00 | 8872.00 | 9024.00 | 10730.00 | 10052.00 | 6895.00 | 9326.00 | 8128.00 | 14220.00 | - | - | 10413.00 | 57075.00 | 19188.00 | 9211.00 | 18082.00 | 4776.00 | 14145.00 | 8241.00 | ||
| GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- | 5771.00 | 54123.00 | 5168.00 | 27528.00 | - | 6883.00 | 10423.00 | 9788.00 | 7215.00 | 26662.00 | 7615.00 | 10035.00 | 8736.00 | 27643.00 | 12847.00 | 11328.00 | - | - | 10108.00 | 8490.00 | 9294.00 | 50001.00 | 8268.00 | 42739.00 | 8970.00 | 17188.00 | 11349.00 | 51252.00 | 8829.00 | 13076.00 | 10817.00 | 9604.00 | ||
| GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- | 55174.00 | 844368.00 | 864755.00 | 1609616.00 | 1414709.00 | 1469798.00 | 1392474.00 | 1015429.00 | 1490619.00 | 1641372.00 | 1151993.00 | 1683410.00 | 1458845.00 | 1512411.00 | 1291263.00 | 1581664.00 | 1263717.00 | 1148503.00 | 1613914.00 | 1329805.00 | 1453060.00 | 1551841.00 | 1202419.00 | 1386515.00 | 1596954.00 | 1628355.00 | 1556411.00 | 1387032.00 | 1414060.00 | 1594860.00 | 1626124.00 | 1573210.00 | ||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- | 1166.00 | 1509.00 | - | 1830.00 | 2172.00 | 2365.00 | 2462.00 | 2423.00 | 2337.00 | 2380.00 | 2569.00 | 2785.00 | - | 2410.00 | 1820.00 | 1657.00 | - | 1732.00 | 1171.00 | 2459.00 | 2597.00 | 2624.00 | 1206.00 | 2185.00 | 2088.00 | 2893.00 | 1885.00 | 2232.00 | - | 2246.00 | 1939.00 | 2029.00 | ||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- | 13074.00 | 15322.00 | 12006.00 | 14173.00 | 17737.00 | 19419.00 | 18673.00 | 16965.00 | 17007.00 | 19162.00 | 18164.00 | 18599.00 | 13770.00 | 17349.00 | 14464.00 | 15017.00 | 4693.00 | 15373.00 | 12979.00 | 17418.00 | 17854.00 | 15812.00 | 14796.00 | 17116.00 | 18141.00 | 20281.00 | 15871.00 | 18242.00 | 9615.00 | 22038.00 | 20614.00 | 19767.00 | ||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- | 182085.00 | 222531.00 | 164095.00 | 171072.00 | 267997.00 | 268863.00 | 264640.00 | 265138.00 | 246492.00 | 272871.00 | 264534.00 | 273935.00 | 209591.00 | 263743.00 | 222125.00 | 230107.00 | 71159.00 | 221614.00 | 190789.00 | 260787.00 | 268220.00 | 240259.00 | 207278.00 | 248846.00 | 251441.00 | 289776.00 | 215239.00 | 275365.00 | 137361.00 | 266296.00 | 240468.00 | 246853.00 | ||
| GLUCARIC ACID (CAS# 87-73-0); (M-H)- | 5062.00 | - | 11766.00 | - | - | 6593.00 | - | 1863.00 | 3903.00 | 10592.00 | - | 6081.00 | 2338.00 | - | 8537.00 | - | 94583.00 | 4033.00 | 4419.00 | - | 1812.00 | 33133.00 | - | - | - | - | - | - | - | - | 4683.00 | - | ||
| GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] | 5503934.00 | - | 8218481.00 | 6045525.00 | 7429015.00 | 7123876.00 | - | - | 6216418.00 | 6626011.00 | 6708971.00 | 7270895.00 | 6586838.00 | - | 5977430.00 | 5883988.00 | - | 5811701.00 | 5991621.00 | - | 6039081.00 | - | 6915558.00 | - | - | - | - | - | - | - | - | 5878857.00 | ||
| GLUCONIC ACID (CAS# 526-95-4); (M-H)- | - | 82036.00 | 50007.00 | 50996.00 | - | - | - | 42587.00 | 72251.00 | 60453.00 | 55610.00 | - | - | - | - | - | 26911.00 | 57457.00 | 36943.00 | 50941.00 | 48121.00 | 55173.00 | 41755.00 | - | 35830.00 | - | 59806.00 | 60667.00 | 38111.00 | 57416.00 | 48547.00 | 57607.00 | ||
| GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- | 15911.00 | 30319.00 | 11553.00 | 15126.00 | 11591.00 | 11216.00 | 11263.00 | 49789.00 | 11302.00 | 13260.00 | 11606.00 | 9948.00 | 9690.00 | 11124.00 | 8872.00 | 9024.00 | 10730.00 | 10052.00 | 6895.00 | 9326.00 | 8128.00 | 14220.00 | - | - | 10413.00 | 57075.00 | 19188.00 | 9211.00 | 18082.00 | 8543.00 | 14145.00 | 8241.00 | ||
| GLUTAMATE (CAS# 56-86-0); (M-H)- | - | - | - | - | - | - | 5367.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 18270.00 | - | 10783.00 | - | - | - | - | - | - | ||
| GLUTAMINE (CAS# 56-85-9); (M-H)- | 109487.00 | 91759.00 | 101179.00 | 80995.00 | 147340.00 | 138599.00 | 141919.00 | 148782.00 | - | 129896.00 | 132302.00 | 122139.00 | 128848.00 | 121307.00 | 131232.00 | 96208.00 | 70079.00 | 131986.00 | 85683.00 | 128691.00 | 108630.00 | 228080.00 | 111909.00 | 220050.00 | 116491.00 | 151879.00 | 111216.00 | 159090.00 | 90748.00 | 134691.00 | 121652.00 | 120439.00 | ||
| GLUTARATE (CAS# 110-94-1); (M-H)- | 5771.00 | 54123.00 | 5168.00 | 27528.00 | - | 6883.00 | 10423.00 | 9788.00 | 7215.00 | 26662.00 | 7615.00 | 10035.00 | 8736.00 | 27643.00 | 12847.00 | 11328.00 | - | - | 10108.00 | 8490.00 | 9294.00 | 50001.00 | 8268.00 | 42739.00 | 8970.00 | 17188.00 | 11349.00 | 51252.00 | 8829.00 | 13076.00 | 10817.00 | 9604.00 | ||
| GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] | 62371.00 | - | - | - | - | - | - | - | 68463.00 | - | 38137.00 | 63505.00 | - | - | - | - | 9543.00 | - | - | - | - | 91664.00 | - | 162578.00 | 67747.00 | - | 88112.00 | - | - | 75678.00 | 94459.00 | 97384.00 | ||
| GLYCOCHOLATE (CAS# 475-31-0); (M-H)- | - | 23954.00 | - | 16721.00 | 30523.00 | 6954.00 | 67352.00 | - | 35215.00 | 53054.00 | 5492.00 | 49076.00 | 16288.00 | 9477.00 | 13735.00 | 70581.00 | 6612.00 | 33932.00 | 32216.00 | 38215.00 | - | 10984.00 | 14080.00 | 62820.00 | 12470.00 | 52183.00 | 55637.00 | 80442.00 | 5189.00 | 9601.00 | 4149.00 | 10633.00 | ||
| GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)- | - | 4161.00 | 3436.00 | 4706.00 | 11485.00 | 11371.00 | - | 11702.00 | 3357.00 | 9339.00 | 8082.00 | - | 6047.00 | - | - | - | - | - | - | - | - | - | - | 4832.00 | 8369.00 | - | 1701.00 | - | - | - | - | - | ||
| HEPTADECANOATE (CAS# 506-12-7); (M-H)- | 187403.00 | 161976.00 | 95929.00 | 457558.00 | 276795.00 | 407348.00 | 364090.00 | 179185.00 | 340016.00 | 475529.00 | 295942.00 | 478274.00 | 358678.00 | 358902.00 | 381564.00 | 418082.00 | 132522.00 | 151745.00 | 269132.00 | 336164.00 | 406118.00 | 295921.00 | 192227.00 | 233526.00 | 408577.00 | 584878.00 | 416289.00 | 256411.00 | 295014.00 | 491021.00 | 105984.00 | 482086.00 | ||
| HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- | - | 2710.00 | 3243.00 | 9319.00 | 12711.00 | 17034.00 | 12240.00 | 10805.00 | 18597.00 | 14885.00 | 12891.00 | 14959.00 | 10465.00 | 17322.00 | 11804.00 | 12004.00 | 8364.00 | 8868.00 | 14830.00 | 9933.00 | 11806.00 | 17807.00 | 9854.00 | 14156.00 | 11966.00 | 10364.00 | 6020.00 | 13614.00 | 8928.00 | 12985.00 | 11218.00 | 15290.00 | ||
| HIPPURATE (CAS# 495-69-2); (M-H)- | 72044.00 | 405096.00 | 107376.00 | 37239.00 | 102423.00 | 110919.00 | 70863.00 | 52747.00 | 314603.00 | 405367.00 | 440595.00 | 44465.00 | 139495.00 | 50306.00 | 90778.00 | 50337.00 | 55555.00 | 191527.00 | 119747.00 | 263402.00 | 151315.00 | 133109.00 | 3414144.00 | 119982.00 | 211635.00 | 268666.00 | 265341.00 | 373276.00 | 171776.00 | 234550.00 | 224582.00 | 298861.00 | ||
| HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- | 717887.00 | 433312.00 | 444690.00 | 438564.00 | 353033.00 | 462885.00 | 451346.00 | 486262.00 | 467676.00 | 443771.00 | 779677.00 | 433198.00 | 430300.00 | 446727.00 | 461918.00 | 430401.00 | 313333.00 | 582059.00 | 417080.00 | 432571.00 | 435020.00 | 355186.00 | 319853.00 | 330518.00 | 436691.00 | 390486.00 | 196745.00 | 774086.00 | 425323.00 | 479201.00 | 417846.00 | 428955.00 | ||
| HYPOXANTHINE (CAS# 68-94-0); (M-H)- | 13679.00 | - | 15042.00 | - | 8946.00 | - | 17515.00 | - | 29414.00 | - | - | 17081.00 | 1256.00 | - | 11739.00 | - | 8233.00 | 25419.00 | - | - | - | 8974.00 | 22771.00 | - | - | 16249.00 | - | 15839.00 | - | 21808.00 | - | - | ||
| IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)- | - | 107519.00 | - | - | - | - | - | - | 41665.00 | 4474.00 | 3971.00 | - | 3115.00 | - | 1883.00 | - | 2010.00 | - | - | - | - | 20195.00 | - | - | - | 625818.00 | - | - | 1459.00 | - | - | - | ||
| IBUPROFEN (CAS# 15687-27-1); (M-H)- | - | 633130.00 | - | 1766.00 | - | 2338.00 | - | - | 66425.00 | 8886.00 | 14523.00 | - | 8308.00 | - | 7300.00 | - | 6998.00 | - | 4482.00 | 2679.00 | - | 86160.00 | - | 1890398.00 | 4231.00 | 2569573.00 | 7434.00 | - | - | - | - | - | ||
| INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- | 2581.00 | - | 2470.00 | 3696.00 | 12283.00 | 6140.00 | 13785.00 | 5417.00 | - | 2795.00 | 6241.00 | 4634.00 | - | 3075.00 | 5363.00 | 6736.00 | - | 2701.00 | 1356.00 | 5408.00 | 4460.00 | 4820.00 | 11165.00 | - | 4911.00 | 4405.00 | 8044.00 | 6414.00 | 5165.00 | 12405.00 | 7654.00 | 5400.00 | ||
| INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)- | 31145.00 | 30613.00 | 28341.00 | 38977.00 | 32470.00 | 34293.00 | 32478.00 | 31566.00 | 22828.00 | - | - | - | - | 22877.00 | 40108.00 | - | 26120.00 | 40439.00 | 31995.00 | 35936.00 | 34994.00 | - | 41464.00 | 27387.00 | 43209.00 | 40441.00 | 39256.00 | - | 39428.00 | 33805.00 | - | - | ||
| INOSINE (CAS# 58-63-9); (M+CL)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 36282.00 | - | - | - | - | - | ||
| INOSINE (CAS# 58-63-9); (M-H)- | - | - | - | - | - | - | - | - | 7242.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 1618.00 | - | - | - | 4532.00 | - | - | - | - | - | ||
| ISOCITRATE (CAS# 320-77-4); (M-H)- | 5659894.00 | 5868838.00 | 8218481.00 | 6045525.00 | 7433212.00 | 7034502.00 | 7503930.00 | 7246474.00 | 5801871.00 | 6342468.00 | 6153647.00 | 7380796.00 | 6068872.00 | 5313862.00 | 6237608.00 | 5483624.00 | 410526.00 | 5859255.00 | 6303095.00 | 7465843.00 | 5545784.00 | 6844846.00 | 6216914.00 | 6025160.00 | 5989514.00 | 9257870.00 | 8563341.00 | 6512887.00 | 10700000.00 | 6952894.00 | 8437579.00 | 5752022.00 | ||
| ISOLEUCINE (CAS# 73-32-5); (M-H)- | 210471.00 | - | 176723.00 | 204612.00 | 309392.00 | 289511.00 | 279952.00 | 287443.00 | 252228.00 | 314670.00 | - | 302406.00 | 254376.00 | 301104.00 | - | 271201.00 | 72694.00 | 206964.00 | 213762.00 | 199908.00 | 268081.00 | 266602.00 | 250587.00 | 318199.00 | 237968.00 | 92478.00 | 128373.00 | 293143.00 | 127188.00 | 328340.00 | - | 238612.00 | ||
| KYNURENINE (CAS# 343-65-7); (M-H)- | 10423.00 | 16257.00 | 10152.00 | 15523.00 | 12541.00 | 8379.00 | 13372.00 | 10769.00 | 8077.00 | 13251.00 | 6621.00 | 12256.00 | 8082.00 | 13288.00 | 9488.00 | 11278.00 | 2544.00 | 6624.00 | 8588.00 | 10424.00 | 11187.00 | 5970.00 | 9065.00 | - | 10527.00 | 12043.00 | 9290.00 | 14440.00 | 7380.00 | 14607.00 | 9032.00 | 10326.00 | ||
| L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- | 30938.00 | 37417.00 | 28300.00 | 30971.00 | 37697.00 | 46353.00 | 43573.00 | 44072.00 | 43034.00 | 47752.00 | 46251.00 | 48558.00 | 38124.00 | 49435.00 | 41270.00 | 44713.00 | 14531.00 | 38547.00 | 33849.00 | 47284.00 | 48880.00 | 45256.00 | 40968.00 | - | 47433.00 | 49420.00 | 41962.00 | 48928.00 | 28972.00 | 45937.00 | 47321.00 | 38414.00 | ||
| LACTOSE (CAS# 63-42-3); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| L-ARGININE (CAS# 74-79-3); (M-H)- | - | - | - | - | - | 2971.00 | 2731.00 | 4538.00 | 3486.00 | 2716.00 | 2992.00 | - | 3168.00 | - | 3440.00 | 3634.00 | - | - | 2612.00 | - | 2498.00 | - | - | 4830.00 | 3642.00 | - | 3813.00 | 3677.00 | 1935.00 | 3206.00 | - | - | ||
| LAURIC ACID (CAS# 143-07-7); (M-H)- | 56106.00 | 98061.00 | 67475.00 | 121950.00 | 157498.00 | 132376.00 | 151414.00 | 94503.00 | 170811.00 | 273508.00 | 122052.00 | 172028.00 | 100295.00 | 115958.00 | 91838.00 | 110763.00 | 68919.00 | 106429.00 | 107006.00 | 140732.00 | 98588.00 | 147480.00 | 97949.00 | 126555.00 | 159983.00 | 152176.00 | 150884.00 | 155653.00 | 108981.00 | 200002.00 | 145248.00 | 207360.00 | ||
| L-CARNITINE (CAS# 541-15-1); (M+CL)- | - | - | - | - | - | - | - | - | - | - | - | - | 6636.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| LEUCINE (CAS# 328-39-2); (M-H)- | 210471.00 | - | 176723.00 | 204612.00 | 309392.00 | 289511.00 | 279952.00 | 287443.00 | 252228.00 | 314670.00 | - | 302406.00 | 254376.00 | 301104.00 | - | 271201.00 | 72694.00 | 206964.00 | 213762.00 | 199908.00 | 268081.00 | 266602.00 | 250587.00 | 318199.00 | 237968.00 | 92478.00 | 128373.00 | 293143.00 | 127188.00 | 328340.00 | - | 238612.00 | ||
| L-GULONATE (CAS# 6322-07-2); (M-H)- | - | 82036.00 | 50759.00 | 53607.00 | - | - | - | 42587.00 | 73131.00 | 60385.00 | 55610.00 | - | - | - | - | - | 26911.00 | 58040.00 | 37781.00 | 51533.00 | 48121.00 | 55173.00 | 42506.00 | - | 36377.00 | - | 59806.00 | 60667.00 | 38111.00 | 57416.00 | 48547.00 | 57607.00 | ||
| L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] | 12388.00 | 16923.00 | 13718.00 | 9837.00 | 14708.00 | 13635.00 | 14883.00 | 12731.00 | 10460.00 | 20046.00 | 18207.00 | 17041.00 | 9129.00 | 22734.00 | 13530.00 | 12249.00 | - | 17824.00 | 11768.00 | 14299.00 | 6077.00 | 19447.00 | 11796.00 | 18266.00 | 9409.00 | 14408.00 | 17268.00 | 22923.00 | 10954.00 | 24041.00 | 21452.00 | 19518.00 | ||
| L-HISTIDINE (CAS# 71-00-1); (M-H)- | 47470.00 | 42821.00 | 42293.00 | 39490.00 | 64885.00 | 44013.00 | 68775.00 | 47741.00 | 52783.00 | 51532.00 | 49324.00 | 45823.00 | 46092.00 | 46283.00 | 53984.00 | 37276.00 | 22720.00 | 51702.00 | 43394.00 | 51254.00 | 54447.00 | 43368.00 | 42256.00 | 58349.00 | 57892.00 | 56915.00 | 38352.00 | 62406.00 | 40918.00 | 56237.00 | 54856.00 | 43161.00 | ||
| LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- | 19004.00 | 30985.00 | 37541.00 | 60506.00 | 98244.00 | 136785.00 | 97936.00 | 80780.00 | 118074.00 | 60599.00 | 63115.00 | 60990.00 | 88697.00 | 85261.00 | 93437.00 | 88540.00 | 61023.00 | 67066.00 | 120887.00 | 84266.00 | 82592.00 | 81445.00 | 86397.00 | 81302.00 | 66734.00 | 58454.00 | 78042.00 | 58125.00 | 76950.00 | 87918.00 | 118202.00 | 108354.00 | ||
| LINOLEATE (CAS# 60-33-3); (M-H)- | 7438455.00 | 8132163.00 | 6353386.00 | 13100000.00 | 9697870.00 | 12400000.00 | 11100000.00 | 7465734.00 | 13100000.00 | 13000000.00 | 8816781.00 | 14200000.00 | 11800000.00 | 12000000.00 | 9729910.00 | 12800000.00 | 7224689.00 | 9364044.00 | 12000000.00 | 11200000.00 | 10400000.00 | 6927333.00 | 9215688.00 | 7775849.00 | 11300000.00 | 15400000.00 | 11500000.00 | 8748036.00 | 13500000.00 | 10600000.00 | 14900000.00 | 12000000.00 | ||
| LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- | - | - | - | - | 2619.00 | - | - | - | - | - | - | - | 1600.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 3688.00 | - | 4280.00 | ||
| L-ORNITHINE (CAS# 70-26-8); (M-H)- | 12606.00 | 16923.00 | 12756.00 | 17030.00 | 15822.00 | 14971.00 | 15086.00 | 15128.00 | 18249.00 | 15400.00 | 15059.00 | 10733.00 | 16078.00 | 11107.00 | 17373.00 | - | 5310.00 | 19923.00 | 7404.00 | 17331.00 | 19110.00 | 24824.00 | 12348.00 | 32766.00 | 19551.00 | 21532.00 | 18376.00 | 22471.00 | 23249.00 | 16537.00 | 16794.00 | 16935.00 | ||
| L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- | 412584.00 | 147681.00 | - | - | 219994.00 | 201717.00 | 116704.00 | - | 123614.00 | 66807.00 | 119047.00 | 82878.00 | 173645.00 | 175172.00 | - | 71589.00 | - | 79333.00 | 160553.00 | 138016.00 | 94743.00 | 183676.00 | 176656.00 | 222618.00 | 116626.00 | 92199.00 | 199567.00 | 103519.00 | - | 120869.00 | 44430.00 | 79604.00 | ||
| L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- | - | - | - | - | - | - | - | - | - | 15995.00 | - | - | - | - | - | - | - | - | 13293.00 | - | 14767.00 | 1522.00 | - | - | - | - | - | - | - | - | - | - | ||
| LYSINE (CAS# 56-87-1); (M-H)- | - | - | 28870.00 | - | 2359.00 | 2228.00 | 2468.00 | - | - | - | - | 1579.00 | - | 3298.00 | - | 35876.00 | 26622.00 | - | 20438.00 | 2001.00 | 2140.00 | - | 34346.00 | 3406.00 | 23692.00 | 4429.00 | 2527.00 | 2219.00 | 2583.00 | 6634.00 | - | 3344.00 | ||
| MALATE (CAS# 97-67-6); (M-H)- | - | - | - | - | 71361.00 | 85289.00 | 219589.00 | - | - | 107669.00 | - | 160838.00 | 98150.00 | - | 95011.00 | - | 72794.00 | 120610.00 | 162368.00 | - | 63644.00 | - | 117007.00 | 230987.00 | - | 162984.00 | - | 228789.00 | - | 228742.00 | 134470.00 | 163223.00 | ||
| MALTOSE (CAS# 69-79-4); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| MANDELIC ACID (CAS# 611-71-2); (M-H)- | 1316423.00 | 3454.00 | 79810.00 | 34494.00 | 16675.00 | 10147.00 | 1453618.00 | 6762.00 | 4113.00 | 1332841.00 | 13945.00 | 6649.00 | 6477.00 | 8580.00 | 6791.00 | 12475.00 | 4239.00 | 6063.00 | 5892.00 | 9594.00 | 21723.00 | 6368.00 | 59271.00 | 6555.00 | - | 9149.00 | - | 11988.00 | 125808.00 | 7058.00 | 22543.00 | 5926.00 | ||
| MELIBIOSE (CAS# 585-99-9); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| METHIONINE (CAS# 63-68-3); (M-H)- | - | - | - | 11989.00 | - | - | - | 15632.00 | - | - | 7659.00 | - | - | - | - | - | 5507.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- | - | - | - | - | - | - | - | 1469.00 | - | - | - | - | - | - | - | - | - | - | - | 1225.00 | - | - | - | - | - | - | 1106.00 | - | - | - | - | - | ||
| METHYLMALONATE (CAS# 516-05-2); (M-H)- | 79357.00 | 94108.00 | 74989.00 | 66251.00 | 128169.00 | 93725.00 | 117639.00 | 104047.00 | 84447.00 | 112260.00 | 80799.00 | 96793.00 | 76514.00 | 138482.00 | 80146.00 | 90724.00 | 35524.00 | 70371.00 | 87403.00 | 90830.00 | 100882.00 | 96056.00 | 102164.00 | 102774.00 | 108834.00 | 97475.00 | 120329.00 | 141729.00 | 100678.00 | 114052.00 | 108757.00 | 76215.00 | ||
| MEVALONIC ACID (CAS# 674-26-0); (M-H)- | - | - | 8465.00 | 10912.00 | 22980.00 | - | - | - | 12640.00 | 11464.00 | - | - | - | - | 16411.00 | - | - | - | - | - | - | 18105.00 | 19447.00 | 15827.00 | 7397.00 | - | - | 10595.00 | 11404.00 | - | 12446.00 | 2071.00 | ||
| MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- | 21797.00 | 22836.00 | 6972.00 | 17247.00 | 22003.00 | 20180.00 | 20824.00 | 9707.00 | 18695.00 | 11537.00 | 17314.00 | 17985.00 | 15513.00 | 21917.00 | 14746.00 | - | - | 12780.00 | 6005.00 | 22321.00 | 15102.00 | 4893.00 | 12332.00 | 15031.00 | 22295.00 | 47132.00 | 23325.00 | 24150.00 | 14768.00 | 8231.00 | 19598.00 | 15756.00 | ||
| MYRISTIC ACID (CAS# 544-63-8); (M-H)- | 502272.00 | 625961.00 | 416560.00 | 1142422.00 | 1081001.00 | 966418.00 | 1053348.00 | 558615.00 | 1265057.00 | 1924728.00 | 744296.00 | 1677736.00 | 839596.00 | 1041417.00 | 605334.00 | 955479.00 | 549646.00 | 726041.00 | 1138661.00 | 873340.00 | 743100.00 | 1056958.00 | 621803.00 | 919754.00 | 1276892.00 | 1550889.00 | 1143212.00 | 1127699.00 | 800242.00 | 1367160.00 | 1145636.00 | 1521105.00 | ||
| MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- | 55824.00 | 140245.00 | 43440.00 | 184843.00 | 173538.00 | 77424.00 | 201445.00 | 31498.00 | 433436.00 | 562394.00 | 171798.00 | 392410.00 | 86786.00 | 107529.00 | 46707.00 | 109137.00 | 78977.00 | 161384.00 | 175056.00 | 124117.00 | 48931.00 | 134966.00 | 48996.00 | 90428.00 | 198092.00 | 150477.00 | 137603.00 | 157756.00 | 52719.00 | 102514.00 | 82345.00 | 91965.00 | ||
| N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- | 6513.00 | 5085.00 | 5663.00 | 7760.00 | 9733.00 | 9353.00 | 9209.00 | 9629.00 | 21918.00 | 4258.00 | 7621.00 | - | 5651.00 | 10177.00 | 6842.00 | 9235.00 | - | 7723.00 | 5160.00 | 8429.00 | 8095.00 | 9986.00 | 7645.00 | 9016.00 | 7902.00 | 12566.00 | 8691.00 | 8560.00 | 8534.00 | 9474.00 | 8357.00 | - | ||
| N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- | - | - | - | - | - | - | 5367.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 18270.00 | - | 10783.00 | - | - | - | - | - | - | ||
| N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- | 2523.00 | - | 1121.00 | - | 3049.00 | - | 3568.00 | - | - | - | - | 2056.00 | - | 3190.00 | 3894.00 | - | - | - | 1385.00 | - | 1555.00 | 3015.00 | 1650.00 | 7177.00 | - | - | - | 4824.00 | 8764.00 | 3015.00 | 2549.00 | 2944.00 | ||
| N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- | - | - | - | - | - | - | - | - | - | - | 80196.00 | - | 32768.00 | - | - | - | - | - | - | 18703.00 | 15981.00 | - | - | 56679.00 | - | 69516.00 | 34732.00 | 20839.00 | 13020.00 | 25666.00 | - | 19107.00 | ||
| N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- | 131033.00 | 200497.00 | 105860.00 | 145887.00 | 169351.00 | 140757.00 | 186813.00 | 163637.00 | 234741.00 | 149835.00 | 230176.00 | 151202.00 | 123050.00 | 161746.00 | 146705.00 | 133469.00 | 50918.00 | 158404.00 | 126887.00 | 159512.00 | 158000.00 | 130833.00 | - | - | 145675.00 | 203751.00 | 137659.00 | 152149.00 | 174801.00 | - | 163508.00 | 136068.00 | ||
| N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- | - | - | - | 31350.00 | 25945.00 | 26252.00 | - | 29111.00 | 35147.00 | - | 44212.00 | 19307.00 | 26167.00 | - | - | 33713.00 | - | - | - | 25244.00 | - | 23986.00 | - | - | 32344.00 | - | - | 36602.00 | - | 28465.00 | 49343.00 | - | ||
| N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- | 2732.00 | - | 2753.00 | - | - | 2447.00 | - | - | - | 2503.00 | 2602.00 | - | - | 3075.00 | - | - | - | - | - | - | 2495.00 | 4579.00 | - | - | - | - | - | - | 42119.00 | - | - | - | ||
| N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- | 2705.00 | 2702.00 | 2160.00 | - | 2569.00 | 2370.00 | 3025.00 | 2423.00 | 4605.00 | - | 2623.00 | 2190.00 | 1085.00 | - | - | 1295.00 | - | 1672.00 | 2283.00 | 1107.00 | 2478.00 | - | 2629.00 | 10978.00 | - | 3309.00 | - | 2911.00 | 17904.00 | - | - | - | ||
| N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- | 10831.00 | 10341.00 | 9073.00 | - | 9936.00 | 7540.00 | 6755.00 | 10336.00 | 8140.00 | 11016.00 | 11446.00 | 9433.00 | 5385.00 | 11993.00 | 8308.00 | 11686.00 | 4573.00 | 7685.00 | 19335.00 | 10109.00 | 7587.00 | 8924.00 | - | 11729.00 | - | 32929.00 | 11182.00 | 14651.00 | 4411.00 | 6579.00 | 8612.00 | 8256.00 | ||
| N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1099.00 | - | - | - | 1304.00 | - | 3037.00 | - | 4075.00 | - | 1975.00 | - | - | - | - | - | - | ||
| NERVONIC ACID (CAS# 506-37-6); (M-H)- | 28953.00 | 50432.00 | 33897.00 | 95697.00 | 70745.00 | 101732.00 | 88968.00 | 52781.00 | 67132.00 | 81647.00 | 62302.00 | 134284.00 | 72029.00 | 132215.00 | 65041.00 | 94549.00 | 39461.00 | 39239.00 | 91206.00 | 85436.00 | 98288.00 | 89976.00 | 67934.00 | 96366.00 | 71123.00 | 124070.00 | 67311.00 | 66511.00 | 48864.00 | 59344.00 | 128557.00 | 87300.00 | ||
| N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)- | 4553.00 | 6411.00 | 3703.00 | - | 18599.00 | 8063.00 | 12511.00 | 11169.00 | 15375.00 | 7546.00 | 25089.00 | - | 2115.00 | 6219.00 | 2894.00 | 2852.00 | 2846.00 | 11875.00 | - | 17480.00 | 13574.00 | - | 23435.00 | - | 9045.00 | 6775.00 | 10616.00 | 8252.00 | 4824.00 | - | 8736.00 | - | ||
| NICOTINATE (CAS# 59-67-6); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2019.00 | - | - | - | - | - | 2544.00 | - | - | - | 1588.00 | - | - | ||
| N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- | - | - | - | - | - | - | 5367.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 18270.00 | - | 10783.00 | - | - | - | - | - | - | ||
| N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)- | - | - | - | - | 1857.00 | - | - | - | - | - | - | - | 1332.00 | 1434.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1203.00 | - | ||
| NONANOATE (CAS# 112-05-0); (M-H)- | 2979.00 | - | 3549.00 | 5370.00 | 7407.00 | 7364.00 | 6739.00 | 6290.00 | 6684.00 | 6940.00 | 6856.00 | 6427.00 | 6327.00 | 6113.00 | 7448.00 | 6379.00 | 4714.00 | 6199.00 | 5548.00 | 7477.00 | 6264.00 | 8785.00 | 5620.00 | 6719.00 | 7834.00 | 9136.00 | 7134.00 | 8646.00 | 5915.00 | 7225.00 | 6586.00 | 7544.00 | ||
| NORLEUCINE (CAS# 327-57-1); (M-H)- | 210471.00 | - | 176723.00 | 204612.00 | 309392.00 | 289511.00 | 279952.00 | 287443.00 | 252228.00 | 314670.00 | - | 302406.00 | 254376.00 | 301104.00 | - | 271201.00 | 72694.00 | 206964.00 | 213762.00 | 199908.00 | 268081.00 | 266602.00 | 250587.00 | 315012.00 | 237968.00 | 92478.00 | 128373.00 | 293143.00 | 127188.00 | 328340.00 | - | 238612.00 | ||
| OLEIC ACID (CAS# 112-80-1); (M-H)- | 11000000.00 | 10000000.00 | 7396347.00 | 17600000.00 | 13200000.00 | 14100000.00 | 14900000.00 | 9175122.00 | 18600000.00 | 18500000.00 | 12400000.00 | 21600000.00 | 16200000.00 | 16600000.00 | 12700000.00 | 16300000.00 | 11800000.00 | 11500000.00 | 17800000.00 | 14600000.00 | 15500000.00 | 11900000.00 | 13600000.00 | 11800000.00 | 17500000.00 | 26200000.00 | 17000000.00 | 12700000.00 | 17100000.00 | 15000000.00 | 19500000.00 | 16700000.00 | ||
| OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- | 2681.00 | 3175.00 | 2948.00 | 3655.00 | 4115.00 | 3277.00 | 2851.00 | 3664.00 | 2551.00 | 3761.00 | 3334.00 | 3129.00 | 3167.00 | 3490.00 | 4264.00 | 3257.00 | 4312.00 | 2975.00 | 3366.00 | 4708.00 | 4423.00 | 3082.00 | 3821.00 | 3861.00 | 4390.00 | 4071.00 | 2850.00 | 2963.00 | 2663.00 | 4265.00 | 3878.00 | 4395.00 | ||
| OMEPRAZOLE (CAS# 73590-58-6); (M-H)- | - | - | - | - | - | - | - | - | 90953.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)- | - | - | - | - | - | - | - | - | 520970.00 | - | 84283.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O] | 218503.00 | 192352.00 | 231934.00 | 137137.00 | 199320.00 | 202511.00 | 194477.00 | 195740.00 | 187890.00 | - | - | - | 123897.00 | 94779.00 | - | - | - | - | - | - | 108883.00 | 140720.00 | 97402.00 | 132399.00 | - | 93430.00 | 117773.00 | 139199.00 | 44594.00 | - | 71689.00 | - | ||
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (2M... | - | - | - | - | - | 2199.00 | - | - | - | - | 138115.00 | 884293.00 | - | - | 52654.00 | 2989.00 | 805751.00 | - | - | - | - | - | - | 344482.00 | - | - | - | - | - | - | 33168.00 | - | ||
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M-... | - | - | - | - | - | 283793.00 | - | - | - | 2262.00 | 2185716.00 | 5178035.00 | - | - | 1301886.00 | 291715.00 | 3067056.00 | - | 44947.00 | - | - | - | - | 3389212.00 | - | - | 5124.00 | - | - | - | 1050096.00 | - | ||
| PALATINOSE (CAS# 343336-76-5); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| PALMITATE (CAS# 57-10-3); (M-H)- | 3881767.00 | 3676293.00 | 3428229.00 | 7054168.00 | 6134080.00 | 6852249.00 | 6760319.00 | 4876235.00 | 7274540.00 | 7695625.00 | 5316475.00 | 8513714.00 | 6391026.00 | 7046516.00 | 5853793.00 | 6945750.00 | 5657167.00 | 5015222.00 | 7655594.00 | 5989152.00 | 6565942.00 | 7233005.00 | 5397943.00 | 6323327.00 | 7669406.00 | 7827397.00 | 6795033.00 | 6314352.00 | 6322219.00 | 7479721.00 | 7289671.00 | 7189909.00 | ||
| PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- | 2579539.00 | 2565447.00 | 1009569.00 | 4524727.00 | 3064901.00 | 1440296.00 | 4038911.00 | 781811.00 | 6188576.00 | 6692443.00 | 2760839.00 | 6808100.00 | 2764593.00 | 3076527.00 | 1289262.00 | 2878508.00 | 2516983.00 | 2359476.00 | 5417033.00 | 2662153.00 | 1853915.00 | 2058082.00 | 1342015.00 | 2579168.00 | 4890740.00 | 5985476.00 | 4400367.00 | 2996535.00 | 2396954.00 | 2603786.00 | 3452371.00 | 2748609.00 | ||
| PANTOTHENATE (CAS# 79-83-4); (M-H)- | 34777.00 | 39402.00 | 24659.00 | 34234.00 | 33680.00 | 34100.00 | 34185.00 | 18819.00 | 41467.00 | 29515.00 | 27362.00 | 28284.00 | 24279.00 | 27779.00 | 21052.00 | 29778.00 | 12613.00 | 39921.00 | 29409.00 | 38906.00 | 21196.00 | 29208.00 | 13598.00 | 17810.00 | 80728.00 | 22052.00 | 70243.00 | 22758.00 | 46923.00 | 52155.00 | - | 35488.00 | ||
| PARAXANTHINE (CAS# 611-59-6); (M-H)- | 96614.00 | 357846.00 | 93134.00 | 302256.00 | 889254.00 | 5515.00 | 697424.00 | 6406.00 | 76045.00 | 689495.00 | 80628.00 | 159198.00 | - | 46537.00 | 41616.00 | 42569.00 | 125534.00 | 153502.00 | 318426.00 | 156237.00 | 260402.00 | - | 468735.00 | 5362169.00 | 6343.00 | 16103.00 | 4601305.00 | 247571.00 | 235051.00 | 9281.00 | 234389.00 | 48639.00 | ||
| PHENYL ACETATE (CAS# 122-79-2); (M-H)- | 2061.00 | - | 3638.00 | 2473.00 | 3675.00 | 2171.00 | 2925.00 | 2948.00 | 4450.00 | 4960.00 | 2008.00 | - | - | - | - | 4580.00 | - | 3456.00 | 3807.00 | 3890.00 | - | 4831.00 | 3884.00 | 6128.00 | 3923.00 | 2327.00 | - | 2048.00 | - | 3802.00 | 3123.00 | 3459.00 | ||
| PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- | 78659.00 | 113097.00 | 95925.00 | 79056.00 | 136568.00 | 117210.00 | 134340.00 | 126160.00 | 86714.00 | 174039.00 | 89858.00 | 128628.00 | 62267.00 | 130618.00 | 68731.00 | 107048.00 | 33686.00 | 90145.00 | 109983.00 | 88339.00 | 129886.00 | 126596.00 | 100363.00 | 199292.00 | 93598.00 | 103914.00 | 89706.00 | 119843.00 | 65689.00 | 129346.00 | 112826.00 | 83046.00 | ||
| PHENYLALANINE (CAS# 63-91-2); (M-H)- | 550501.00 | 703907.00 | 548755.00 | 854919.00 | 777272.00 | 606800.00 | 815828.00 | 654879.00 | 656163.00 | 823623.00 | 447368.00 | 536711.00 | 631308.00 | 809842.00 | 460448.00 | 579191.00 | 181671.00 | 565774.00 | 662807.00 | 587042.00 | 711775.00 | 561666.00 | 702136.00 | 440432.00 | 718091.00 | 777053.00 | 492929.00 | 661970.00 | 420785.00 | 713925.00 | 472713.00 | 531672.00 | ||
| PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- | - | 3591.00 | - | 3617.00 | 4468.00 | 6859.00 | 5435.00 | 4085.00 | 3938.00 | 5518.00 | 6578.00 | - | 4878.00 | 7161.00 | 3758.00 | 5479.00 | - | - | 3311.00 | 5776.00 | 6337.00 | - | 4190.00 | - | 3265.00 | 4530.00 | 1510.00 | 8191.00 | - | 4190.00 | 2729.00 | 5937.00 | ||
| PHTHALATE (CAS# 88-99-3); (M-H)- | 3830.00 | 4975.00 | - | 5816.00 | 5139.00 | 5329.00 | 7281.00 | 6265.00 | 5671.00 | - | 2993.00 | 8911.00 | 5440.00 | 5771.00 | 6838.00 | 4498.00 | 3631.00 | 5705.00 | 4761.00 | 6285.00 | 6173.00 | - | 4929.00 | 6001.00 | 25326.00 | 3353.00 | 5206.00 | 4273.00 | 2747.00 | - | - | - | ||
| PHYTANATE (CAS# 14721-66-5); (M-H)- | 27012.00 | 48861.00 | 19432.00 | 39754.00 | 81713.00 | 63140.00 | 65945.00 | 79369.00 | 41398.00 | 91914.00 | 40811.00 | 59154.00 | 46230.00 | 35277.00 | 46923.00 | 43207.00 | 19946.00 | 35320.00 | 40792.00 | 57324.00 | 44857.00 | 73200.00 | 39728.00 | 53766.00 | 58432.00 | 118233.00 | 32181.00 | 52346.00 | 33853.00 | 61608.00 | 102257.00 | 102167.00 | ||
| PICOLINIC ACID (CAS# 98-98-6); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 2019.00 | - | - | - | - | - | 2544.00 | - | - | - | 1588.00 | - | - | ||
| PROPYNOATE (CAS# 471-25-0); (M-H)- | - | 18461.00 | 22833.00 | - | - | - | - | 44786.00 | 27493.00 | 21680.00 | 28066.00 | 25613.00 | 35493.00 | - | - | - | 8343.00 | - | 24418.00 | 29444.00 | 34024.00 | 41619.00 | - | 37665.00 | - | 29222.00 | 39481.00 | - | - | 43128.00 | - | - | ||
| PTERIN (CAS# 2236-60-4); (M-H)- | 24223.00 | - | - | - | 14416.00 | - | - | 1121.00 | 3121.00 | - | - | - | - | 11904.00 | - | 3410.00 | - | 16142.00 | 4146.00 | - | - | - | 24504.00 | 17255.00 | 2209.00 | 5365.00 | 54748.00 | 22814.00 | - | 11366.00 | - | 2283.00 | ||
| PURINE (CAS# 120-73-0); (M-H)- | 41510.00 | 58044.00 | - | - | 40705.00 | - | - | 10064.00 | - | - | 64313.00 | 81967.00 | 26592.00 | 25371.00 | 61968.00 | 24214.00 | 114015.00 | 30092.00 | - | 13501.00 | 15575.00 | 22888.00 | - | 42206.00 | - | 16389.00 | 30467.00 | 21317.00 | 33077.00 | - | 54033.00 | 25895.00 | ||
| RAFFINOSE (CAS# 512-69-6); (M+CL)- | 14148.00 | 9744.00 | 9631.00 | 4615.00 | 17915.00 | 2781.00 | - | 22729.00 | 8923.00 | 20047.00 | 16360.00 | 2505.00 | 14989.00 | 30224.00 | 7936.00 | 28607.00 | 4301.00 | - | 27003.00 | 13354.00 | 9580.00 | - | 6394.00 | 13339.00 | 1974.00 | 11544.00 | 15911.00 | 21022.00 | - | 20438.00 | 11424.00 | 13268.00 | ||
| RETINOATE (CAS# 302-79-4); (M-H)- | - | - | - | 9239.00 | - | - | - | - | 12047.00 | 29497.00 | 8346.00 | - | 65692.00 | 12719.00 | - | 4440.00 | - | - | - | - | 3998.00 | - | - | - | 9681.00 | 7394.00 | 3590.00 | - | - | - | 5680.00 | 4922.00 | ||
| (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- | 1416535.00 | 1380938.00 | 1482238.00 | 1286925.00 | 1998633.00 | 2627919.00 | 1981635.00 | 1887775.00 | 1354002.00 | 2155725.00 | 1637840.00 | 2517227.00 | 1942057.00 | 2758278.00 | 2436176.00 | 2136934.00 | 701709.00 | 1023325.00 | 2189705.00 | 1516558.00 | 2061016.00 | 3546976.00 | 1659842.00 | 3065008.00 | 1507722.00 | 1804740.00 | 1433551.00 | 2389892.00 | 1216702.00 | 2309704.00 | 2050322.00 | 1971741.00 | ||
| S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- | - | - | - | - | 4332.00 | 4307.00 | 4625.00 | 2749.00 | - | - | - | 5377.00 | - | - | - | - | - | - | - | 1235.00 | - | 6353.00 | - | 6660.00 | - | 4499.00 | 4319.00 | - | - | - | - | - | ||
| SALICYLATE (CAS# 69-72-7); (M-H)- | 48668.00 | 6279.00 | 12896.00 | 6892.00 | 21181.00 | 14423.00 | 40199.00 | 218914.00 | 101115.00 | 90146.00 | 87800.00 | 16676.00 | 156126.00 | 14791.00 | 65950.00 | 9136.00 | 5092.00 | 47371.00 | 445909.00 | 23048.00 | 106432.00 | 28608.00 | 185754.00 | 19583.00 | 23643.00 | 12463.00 | 20611.00 | 20342.00 | 21700000.00 | 30734.00 | 285045.00 | 24111.00 | ||
| SALICYLURIC ACID (CAS# 487-54-7); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 14000.00 | - | - | - | - | - | - | - | - | - | 1031536.00 | - | - | - | ||
| SEBACIC ACID (CAS# 111-20-6); (M-H)- | 10907.00 | - | 9968.00 | 13055.00 | 15102.00 | 12383.00 | 14332.00 | - | 12025.00 | 15244.00 | 10365.00 | 15819.00 | 12964.00 | 21272.00 | 13071.00 | 17399.00 | 11391.00 | 16083.00 | 12452.00 | 14737.00 | 12975.00 | 13157.00 | 11515.00 | 15177.00 | 16819.00 | 26982.00 | 18425.00 | 17859.00 | 12679.00 | 17623.00 | 19076.00 | 14779.00 | ||
| STACHYOSE (CAS# 54261-98-2); (M+CL)- | 3515.00 | 2202.00 | 3340.00 | - | - | - | - | 5678.00 | - | - | - | - | - | 10263.00 | - | 10119.00 | - | - | 3148.00 | - | 1965.00 | - | - | 5935.00 | - | - | 2955.00 | - | - | - | - | - | ||
| STEARATE (CAS# 57-11-4); (M-H)- | 3578046.00 | 4157413.00 | 3255143.00 | 7792206.00 | 7091409.00 | 7341049.00 | 6515191.00 | 5191865.00 | 6946998.00 | 7854686.00 | 5469152.00 | 7907289.00 | 6212212.00 | 8040014.00 | 7123886.00 | 6934129.00 | 3222446.00 | 4318470.00 | 6600889.00 | 6363786.00 | 7860652.00 | 8214934.00 | 5944256.00 | 6755666.00 | 8347315.00 | 9734180.00 | 7387634.00 | 6214842.00 | 6307490.00 | 6745266.00 | 10400000.00 | 7551450.00 | ||
| SUBERIC ACID (CAS# 505-48-6); (M-H)- | 9246.00 | 13318.00 | 8649.00 | 11649.00 | 14724.00 | 15821.00 | 14509.00 | 13537.00 | 11319.00 | 15901.00 | 10498.00 | 13305.00 | 12161.00 | 30000.00 | 13644.00 | 13570.00 | 4611.00 | 10067.00 | 11227.00 | 16612.00 | 15467.00 | 13255.00 | 10326.00 | 12173.00 | 11331.00 | 22660.00 | 17792.00 | 15209.00 | - | 16892.00 | 15175.00 | 12784.00 | ||
| SUCCINATE (CAS# 110-15-6); (M-H)- | 79357.00 | 94108.00 | 74989.00 | 66251.00 | 128169.00 | 93725.00 | 117639.00 | 104047.00 | 84447.00 | 112260.00 | 80799.00 | 96793.00 | 76514.00 | 138482.00 | 80146.00 | 90724.00 | 35524.00 | 70371.00 | 87403.00 | 90830.00 | 100882.00 | 96056.00 | 102164.00 | 102774.00 | 108834.00 | 99474.00 | 120329.00 | 141729.00 | 100678.00 | 114052.00 | 108757.00 | 76215.00 | ||
| SUCROSE (CAS# 57-50-1); (M+CL)- | - | - | - | - | - | - | - | - | - | 27127.00 | - | - | - | 29049.00 | - | - | 11226.00 | - | 34895.00 | - | - | - | - | - | - | 21051.00 | - | - | - | - | 29510.00 | - | ||
| TAURINE (CAS# 107-35-7); (M-H)- | 18825.00 | - | 23952.00 | 14080.00 | 17832.00 | 16200.00 | - | 25895.00 | - | 19689.00 | 18423.00 | - | - | 28398.00 | - | 30600.00 | 20984.00 | 5753.00 | 24326.00 | - | - | - | 16259.00 | 24075.00 | 14374.00 | 19721.00 | - | 22701.00 | - | 16006.00 | 19669.00 | - | ||
| THEOPHYLLINE (CAS# 58-55-9); (M-H)- | 92359.00 | 357846.00 | 93134.00 | 302256.00 | 882078.00 | 5515.00 | 697424.00 | 6406.00 | 76045.00 | 689495.00 | 80628.00 | 159198.00 | - | 46537.00 | 41498.00 | 42569.00 | 125430.00 | 153502.00 | 318426.00 | 155637.00 | 260402.00 | - | 468735.00 | 5362169.00 | 6343.00 | 16103.00 | 4601305.00 | 247571.00 | 235051.00 | 9281.00 | 234471.00 | 48639.00 | ||
| THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] | - | - | - | - | - | - | 5367.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 18270.00 | - | 10783.00 | - | - | - | - | - | - | ||
| THYMIDINE (CAS# 50-89-5); (M+CL)- | - | - | 2207.00 | 3043.00 | - | - | - | - | - | 2239.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | 1464.00 | - | 1594.00 | - | - | - | - | - | - | ||
| THYMIDINE (CAS# 50-89-5); (M+HCOO)- | - | 8109.00 | - | - | - | - | - | - | - | - | - | - | - | 5707.00 | - | 3178.00 | - | - | - | 8185.00 | - | 1416.00 | 1828.00 | - | - | 1103.00 | - | 1894.00 | - | - | - | - | ||
| THYROXINE (CAS# 51-48-9); (M-H)- | 3252.00 | 3711.00 | 3089.00 | 4026.00 | 4626.00 | 5162.00 | 5478.00 | 4833.00 | 5508.00 | 4839.00 | 6269.00 | 4723.00 | 4517.00 | 5977.00 | 4347.00 | 6154.00 | - | 2553.00 | 4118.00 | 4514.00 | 5280.00 | 2201.00 | 3791.00 | 3117.00 | 5861.00 | 9225.00 | 6427.00 | 9057.00 | 2251.00 | 5260.00 | 3420.00 | 4521.00 | ||
| TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- | 273764.00 | 323083.00 | 628444.00 | 354276.00 | 350799.00 | 302067.00 | 354423.00 | 264978.00 | 261549.00 | 444365.00 | 330570.00 | 580308.00 | 228293.00 | 329818.00 | 257155.00 | 390657.00 | 375607.00 | 225882.00 | 611713.00 | 275933.00 | 313463.00 | 423162.00 | 441364.00 | 427208.00 | 332742.00 | 685699.00 | 436280.00 | 346470.00 | 347990.00 | 418019.00 | 332039.00 | 336853.00 | ||
| TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- | 11000000.00 | 10000000.00 | 7396319.00 | 17600000.00 | 13200000.00 | 14100000.00 | 14900000.00 | 9175122.00 | 18600000.00 | 18500000.00 | 12400000.00 | 21600000.00 | 16200000.00 | 16600000.00 | 12700000.00 | 16300000.00 | 11800000.00 | 11500000.00 | 17800000.00 | 14600000.00 | 15500000.00 | 11900000.00 | 13600000.00 | 11800000.00 | 17500000.00 | 26200000.00 | 17000000.00 | 12700000.00 | 17100000.00 | 15000000.00 | 19500000.00 | 16700000.00 | ||
| TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)- | - | - | - | - | - | 1740.00 | 1389.00 | 1368.00 | 1689.00 | 1056.00 | - | - | - | - | - | - | - | - | 1020.00 | - | - | - | - | 1045.00 | - | - | - | - | 1081.00 | - | - | 1991.00 | ||
| TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] | - | - | 22660.00 | - | - | - | - | - | 37207.00 | - | 20431.00 | 32578.00 | - | 51972.00 | 27568.00 | - | - | - | - | - | - | 33995.00 | - | 40121.00 | 27981.00 | - | - | 43120.00 | - | 39052.00 | - | 37172.00 | ||
| TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- | 5091.00 | 6622.00 | 9441.00 | 10840.00 | 16045.00 | 18583.00 | 16309.00 | 15386.00 | 9945.00 | 11271.00 | 8674.00 | 11229.00 | 16827.00 | 17876.00 | 18652.00 | 18365.00 | 15810.00 | 14622.00 | 14722.00 | 13785.00 | 14110.00 | 14281.00 | 15898.00 | 11352.00 | 12629.00 | 8447.00 | 16916.00 | 12613.00 | 17632.00 | 19428.00 | 16776.00 | 18269.00 | ||
| TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- | 8956.00 | 9668.00 | 4479.00 | 20840.00 | 13362.00 | 11116.00 | 11723.00 | 10226.00 | 12590.00 | 17873.00 | 10678.00 | 14660.00 | 10151.00 | 12860.00 | 10102.00 | 12138.00 | 16770.00 | 10195.00 | 24781.00 | 11722.00 | 10435.00 | 12537.00 | 8886.00 | 11050.00 | 13298.00 | 15559.00 | 12727.00 | 12948.00 | 8633.00 | 13876.00 | 11759.00 | 13179.00 | ||
| TRYPTOPHAN (CAS# 73-22-3); (M-H)- | 761207.00 | 663322.00 | 767527.00 | 692094.00 | 988269.00 | 922403.00 | 1110148.00 | 728222.00 | 1030296.00 | 228761.00 | 918244.00 | 979757.00 | 864605.00 | 1157914.00 | 1027228.00 | - | 261964.00 | 602489.00 | - | 814939.00 | - | 63204.00 | 723974.00 | - | 919214.00 | 567598.00 | 687478.00 | 929452.00 | 572482.00 | 887269.00 | 746731.00 | 688932.00 | ||
| TYROSINE (CAS# 60-18-4); (M-H)- | 328546.00 | 346037.00 | 584033.00 | 294079.00 | 385078.00 | 268307.00 | 358111.00 | 320984.00 | 431533.00 | 411566.00 | 318435.00 | 377901.00 | 257811.00 | 320178.00 | 243472.00 | 297297.00 | 177136.00 | 215277.00 | 335711.00 | 228758.00 | 317994.00 | 219764.00 | 408489.00 | 297724.00 | 357521.00 | 244431.00 | 254657.00 | 247437.00 | 244701.00 | 350240.00 | 242183.00 | 239334.00 | ||
| URATE (CAS# 69-93-2); (M-H)- | 5670164.00 | 485229.00 | 6018925.00 | 3800862.00 | 4620380.00 | 3971521.00 | 4138313.00 | 4138629.00 | 2639488.00 | 5046494.00 | 3459118.00 | 5355237.00 | 3848663.00 | 4156620.00 | 4218421.00 | 3446648.00 | 2526849.00 | 3094012.00 | 3684604.00 | 4862535.00 | 4415708.00 | 3081225.00 | 4016962.00 | 3567344.00 | 3254289.00 | 3786130.00 | 3402808.00 | 4918396.00 | 3914741.00 | 5382943.00 | 3938532.00 | 4218178.00 | ||
| URIDINE (CAS# 58-96-8); (M+CL)- | 704951.00 | 1152630.00 | 707284.00 | 606383.00 | 1374655.00 | 875778.00 | 1659551.00 | 1108475.00 | 736244.00 | 1215410.00 | 762307.00 | 872003.00 | 693450.00 | 993635.00 | 663852.00 | 778423.00 | 328082.00 | 966079.00 | 759375.00 | 1075221.00 | 868050.00 | 936314.00 | 577198.00 | 964081.00 | 894796.00 | 1048792.00 | 636653.00 | 1482101.00 | 749962.00 | 1363440.00 | 1255438.00 | 971454.00 | ||
| URIDINE (CAS# 58-96-8); (M-H)- | 157678.00 | 235534.00 | 188469.00 | 141023.00 | 267639.00 | 186050.00 | 315912.00 | 208896.00 | 140800.00 | 230848.00 | 149528.00 | 162355.00 | 133015.00 | 230064.00 | 129546.00 | 217158.00 | 93558.00 | 198386.00 | 168944.00 | 210873.00 | 160920.00 | 192760.00 | 123369.00 | 192654.00 | 176941.00 | 220351.00 | 145365.00 | 262370.00 | 189623.00 | 247925.00 | 238544.00 | 194937.00 | ||
| URIDINE (CAS# 58-96-8); (M+HCOO)- | 35782.00 | 58587.00 | 46542.00 | 34943.00 | 65470.00 | 44127.00 | 83222.00 | 52538.00 | 36186.00 | 59431.00 | 38237.00 | - | 38885.00 | 51442.00 | 35292.00 | 48485.00 | 31851.00 | 57399.00 | 48455.00 | 58094.00 | 45411.00 | 55996.00 | 34741.00 | - | 50648.00 | 48892.00 | 38754.00 | 69476.00 | 60893.00 | - | 48211.00 | 43889.00 | ||
| UROCANATE (CAS# 104-98-3); (M-H)- | - | - | 1880.00 | - | 2489.00 | - | - | 2297.00 | 1725.00 | 3827.00 | - | 2642.00 | - | 3539.00 | 4182.00 | - | 1474.00 | - | 5197.00 | - | - | 3331.00 | 1022.00 | 3856.00 | 4027.00 | 1699.00 | - | - | 1530.00 | - | 8248.00 | - | ||
| URSODIOL (CAS# 128-13-2); (M-H)- | 14360.00 | 22207.00 | 51932.00 | 15968.00 | 113556.00 | 77229.00 | 47109.00 | 29357.00 | 44162.00 | - | 27171.00 | - | 40329.00 | 36015.00 | 16667.00 | 19467.00 | 14860.00 | 22878.00 | 76185.00 | - | 13014.00 | 39321.00 | 53987.00 | 32282.00 | 55279.00 | 8178.00 | 108204.00 | 68223.00 | 4436.00 | 134925.00 | 18853.00 | 81143.00 | ||
| URSODIOL (CAS# 128-13-2); (M+HCOO)- | 1548.00 | 18733.00 | 46842.00 | 62608.00 | 10470.00 | 58807.00 | 35759.00 | 19495.00 | 46011.00 | 91613.00 | 126817.00 | 73554.00 | 117948.00 | 16681.00 | 105679.00 | 46650.00 | - | - | 135836.00 | 4390.00 | 3255.00 | 10808.00 | 238884.00 | 7816.00 | - | 1792.00 | 12016.00 | 8589.00 | 5924.00 | 17147.00 | 7335.00 | 10831.00 | ||
| XANTHINE (CAS# 69-89-6); (M-H)- | 28925.00 | 35207.00 | 21373.00 | 15741.00 | 25720.00 | 35137.00 | 34648.00 | 36452.00 | 28591.00 | 89016.00 | 22995.00 | 62138.00 | 25444.00 | 81408.00 | 27058.00 | 57384.00 | 21938.00 | 30223.00 | 49524.00 | 34804.00 | 35420.00 | 37402.00 | 29151.00 | 44954.00 | 23115.00 | 32817.00 | 22151.00 | 28814.00 | 29316.00 | 33566.00 | 40746.00 | 33744.00 | ||
| XANTHOSINE (CAS# 146-80-5); (M-H)- | 2960.00 | 4132.00 | - | 1354.00 | - | 1750.00 | 2278.00 | - | 1370.00 | 2051.00 | - | - | - | 5579.00 | - | 1726.00 | - | 2561.00 | 1517.00 | - | - | 3406.00 | 2953.00 | - | 2229.00 | 4168.00 | 1983.00 | 2199.00 | 2480.00 | 3847.00 | - | 3061.00 | ||
| XYLOSE (CAS# 58-86-6); (M+HCOO)- | - | - | 46654.00 | 50996.00 | - | - | - | 42587.00 | 73131.00 | 61229.00 | 55610.00 | - | - | - | - | - | 26911.00 | - | 31417.00 | 51533.00 | 48121.00 | 55173.00 | - | 1289.00 | 36377.00 | - | 58588.00 | 60667.00 | - | 57416.00 | 48547.00 | 57607.00 | ||
| ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- | 423722.00 | 481299.00 | 327855.00 | 435416.00 | 540753.00 | 554749.00 | 550076.00 | 555605.00 | 526450.00 | 557910.00 | 573388.00 | 563130.00 | 521914.00 | 567860.00 | 521322.00 | 544153.00 | 244924.00 | 525986.00 | 460312.00 | 577193.00 | 568128.00 | 558494.00 | 491625.00 | 567178.00 | 605588.00 | 592312.00 | 552627.00 | 596424.00 | 421338.00 | 607430.00 | 606135.00 | 593783.00 | ||
| ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- | 796044.00 | 912069.00 | 611279.00 | 791511.00 | 942518.00 | 939404.00 | 975522.00 | 996848.00 | 943667.00 | 994544.00 | 1013680.00 | 1024521.00 | 920267.00 | 1024847.00 | 941093.00 | 957338.00 | 432466.00 | 901976.00 | 821574.00 | 1033738.00 | 1029917.00 | 1000568.00 | 889397.00 | 983351.00 | 1023351.00 | 1007147.00 | 904124.00 | 1000165.00 | 656567.00 | 948666.00 | 972134.00 | 916514.00 |
Factors:
| F1 | Pair:Pair 1 | Timepoint:T0 | Treatment response:No |
| F2 | Pair:Pair 1 | Timepoint:T0 | Treatment response:Yes |
| F3 | Pair:Pair 1 | Timepoint:T2 | Treatment response:No |
| F4 | Pair:Pair 1 | Timepoint:T2 | Treatment response:Yes |
| F5 | Pair:Pair 2 | Timepoint:T0 | Treatment response:No |
| F6 | Pair:Pair 2 | Timepoint:T0 | Treatment response:Yes |
| F7 | Pair:Pair 2 | Timepoint:T2 | Treatment response:No |
| F8 | Pair:Pair 2 | Timepoint:T2 | Treatment response:Yes |
| F9 | Pair:Pair 3 | Timepoint:T0 | Treatment response:No |
| F10 | Pair:Pair 3 | Timepoint:T0 | Treatment response:Yes |
| F11 | Pair:Pair 3 | Timepoint:T2 | Treatment response:No |
| F12 | Pair:Pair 3 | Timepoint:T2 | Treatment response:Yes |
| F13 | Pair:Pair 4 | Timepoint:T0 | Treatment response:No |
| F14 | Pair:Pair 4 | Timepoint:T0 | Treatment response:Yes |
| F15 | Pair:Pair 4 | Timepoint:T2 | Treatment response:No |
| F16 | Pair:Pair 4 | Timepoint:T2 | Treatment response:Yes |
| F17 | Pair:Pair 5 | Timepoint:T0 | Treatment response:No |
| F18 | Pair:Pair 5 | Timepoint:T0 | Treatment response:Yes |
| F19 | Pair:Pair 5 | Timepoint:T2 | Treatment response:No |
| F20 | Pair:Pair 5 | Timepoint:T2 | Treatment response:Yes |
| F21 | Pair:Pair 6 | Timepoint:T0 | Treatment response:No |
| F22 | Pair:Pair 6 | Timepoint:T0 | Treatment response:Yes |
| F23 | Pair:Pair 6 | Timepoint:T2 | Treatment response:No |
| F24 | Pair:Pair 6 | Timepoint:T2 | Treatment response:Yes |
| F25 | Pair:Pair 7 | Timepoint:T0 | Treatment response:No |
| F26 | Pair:Pair 7 | Timepoint:T0 | Treatment response:Yes |
| F27 | Pair:Pair 7 | Timepoint:T2 | Treatment response:No |
| F28 | Pair:Pair 7 | Timepoint:T2 | Treatment response:Yes |
| F29 | Pair:Pair 8 | Timepoint:T0 | Treatment response:No |
| F30 | Pair:Pair 8 | Timepoint:T0 | Treatment response:Yes |
| F31 | Pair:Pair 8 | Timepoint:T2 | Treatment response:No |
| F32 | Pair:Pair 8 | Timepoint:T2 | Treatment response:Yes |
| F33 | Pair:Pooled | Timepoint:Pooled | Treatment response:Pooled |
