Data for ST000721
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 16:0-18:0 PC (M+NA)+ | 47141.00 | - | 66642.00 | 58927.00 | 53551.00 | 41229.00 | - | - | 58440.00 | - | - | - | - | 41823.00 | - | - | 54261.00 | - | 49108.50 | 56292.00 | 39201.33 | 51007.00 | 44176.50 | 49271.00 | 56326.00 | - | - | 57248.33 | 49759.50 | 51816.00 | - | ||||
| 16:0 LYSO PC (M+H)+ | 2411258.00 | 1419923.00 | 3111111.00 | 3757727.00 | 2463470.67 | 2600902.00 | 1662502.00 | 2534719.00 | 3224918.00 | 3077292.25 | 2830086.00 | 2702100.00 | 2273931.00 | 2633734.50 | 2628362.00 | 3223309.50 | 2619294.00 | 2476902.50 | 2679664.00 | 3207616.00 | 2927467.40 | 3021807.67 | 2841659.93 | 2654655.17 | 3034040.30 | 2140030.40 | 2470206.00 | 3123277.87 | 3148823.00 | 2189597.33 | 2945017.67 | ||||
| 16:0 LYSO PC (M+NA)+ | 590057.00 | 1259789.00 | 682395.00 | 697978.00 | 1039507.00 | 657698.00 | 517647.00 | 490988.00 | 740869.50 | 818975.00 | 850813.00 | 728582.67 | 732774.00 | 732491.00 | 556004.67 | 672211.00 | 579247.00 | 617233.75 | 671105.50 | 617502.33 | 807937.00 | 662368.56 | 726361.93 | 619419.50 | 556315.30 | 708853.20 | 710945.80 | 619466.60 | 648525.47 | 1053022.00 | 863436.33 | ||||
| 18:0 LYSO-PE (M+H)+ | - | - | 91538.00 | - | 109791.33 | 122012.00 | 142283.00 | 173231.00 | 162971.75 | 173406.25 | 128633.00 | 151311.00 | 126282.00 | 140572.00 | 148605.00 | 202895.00 | 147448.00 | 148258.00 | 132636.75 | 212089.57 | 170327.00 | 193372.12 | 156362.50 | 169332.00 | 152224.44 | 125900.33 | 138396.75 | 181264.46 | 165034.07 | 101799.50 | 161599.00 | ||||
| 1-METHYLADENOSINE (M+H)+ | 48705.00 | 50397.00 | 42515.00 | 31082.00 | 52059.67 | 47298.00 | 59319.00 | 47501.00 | 77452.75 | 54220.75 | 69589.00 | 61497.00 | 56869.00 | 43473.17 | 44764.00 | 68155.00 | 55258.00 | 43458.25 | 38764.75 | 48170.56 | 146087.40 | 46069.00 | 56688.73 | 105644.33 | 66104.90 | 58147.40 | 51854.40 | 51815.00 | 54506.53 | 56169.33 | 55371.17 | ||||
| 1-METHYLADENOSINE (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 519.00 | 927.00 | - | - | 6858.00 | 50108.00 | - | - | 13513.00 | 825.00 | 81018.00 | 40380.00 | - | 907.00 | - | - | ||||
| 1-METHYLXANTHINE (M+H)+ | 2495123.00 | 3404754.00 | 2928975.00 | 3106660.00 | 2410778.33 | 2846279.00 | 3150815.00 | 3274520.00 | 2863039.50 | 2886983.25 | 3080566.00 | 2729392.00 | 2193239.00 | 2713079.83 | 2645305.67 | 2877803.50 | 2920869.33 | 2568655.00 | 2904448.00 | 3092660.78 | 3119266.80 | 2812713.11 | 2722932.33 | 2846314.50 | 2905383.70 | 2753242.80 | 2797225.20 | 2806523.93 | 2921413.89 | 2736373.00 | 2822560.83 | ||||
| 20:0 LYSO PC (M+H)+ | 191550.00 | - | 216272.00 | 310781.00 | 174617.00 | 106304.00 | - | - | 287979.00 | 106212.00 | - | 194486.00 | 81171.00 | 120055.50 | - | 114825.50 | 119468.50 | 181202.67 | 185790.00 | 279929.17 | 200282.40 | 235583.40 | 210866.29 | 202591.00 | 229438.80 | 154538.33 | 140745.00 | 239321.36 | 185486.92 | 170346.00 | 141708.00 | ||||
| 2-DEOXY-D-GLUCOSE (M+NA)+ | 39617.00 | 56280.00 | 60282.00 | 47375.00 | 94711.00 | 66334.00 | - | - | 51429.00 | - | - | 38696.00 | - | 57348.00 | - | 16507.00 | 68763.00 | 47489.00 | 40737.50 | 42163.25 | 58726.50 | 10124.00 | 38987.50 | 50225.50 | 52446.67 | - | - | 67154.60 | 62189.20 | 28916.00 | 98831.50 | ||||
| 3-AMINOISOBUTYRIC ACID (M+H)+[-H2O] | 7425.00 | - | 8457.00 | - | 8207.00 | 11508.00 | - | - | 20899.00 | 21358.00 | - | 20863.50 | - | 7272.00 | - | 15927.00 | - | 7888.50 | 6367.67 | 15434.00 | 54180.33 | 7538.00 | 8805.83 | 54842.67 | 12366.60 | 144433.50 | 157726.33 | 13213.25 | 11415.50 | 7487.00 | 12571.75 | ||||
| 3-METHOXYTYROSINE (M+H)+ | - | - | - | - | 17325.50 | - | 9450.00 | - | 39815.00 | 37563.25 | 37293.00 | 18136.00 | 22214.00 | 37012.20 | 36503.67 | 28053.00 | 33434.00 | 27863.67 | 30346.00 | 22178.40 | 30269.00 | 35722.00 | 39823.46 | 36159.50 | 26443.25 | 44933.80 | 45797.25 | 34089.80 | 33244.64 | 37128.50 | 29157.50 | ||||
| 4-ACETAMINOPHEN SULFATE (M+H)+ | - | 3431.00 | - | - | 6435.00 | - | - | 11096.00 | - | - | - | 164110.67 | - | 9268.00 | 51535.00 | - | - | - | - | 62048.50 | - | 114156.67 | 14399.00 | 78902.00 | 215073.50 | 1874.00 | 180110.00 | 77292.00 | 63879.00 | 22268.00 | 75728.67 | ||||
| 4-ACETAMINOPHEN SULFATE (M+NA)+ | - | 2140.00 | - | - | 2116.00 | - | - | - | - | - | - | 52760.33 | - | - | 17272.00 | - | 859.00 | - | - | 25203.50 | - | 40173.67 | 5120.00 | 26603.00 | 98390.00 | 3811.50 | 38515.50 | 31188.00 | 21312.00 | 8779.00 | 30060.67 | ||||
| 4-PYRIDOXIC ACID (M+NA)+ | - | 6146.00 | - | - | 8478.00 | 7162.00 | - | - | - | - | - | - | - | 1431.00 | - | - | 4586.00 | 4026.00 | 5952.50 | 8076.00 | 51895.50 | 8307.00 | 4580.00 | 36773.00 | 91880.33 | - | - | 8812.20 | 6053.25 | - | 6242.00 | ||||
| 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ | 17232.00 | 12298.00 | 8337.00 | 3475.00 | 14716.00 | 15482.00 | 30328.00 | 53409.00 | 15546.75 | 24753.00 | 20145.00 | 13343.67 | 33198.00 | 11451.83 | 19485.00 | 79103.00 | 52098.50 | 10466.50 | 17476.75 | 20898.67 | 227146.40 | 8092.29 | 21973.46 | 157538.83 | 26481.20 | 214509.40 | 422254.00 | 22872.36 | 20428.72 | 27928.33 | 15654.67 | ||||
| 5-AMINOPENTANOIC ACID (M+H)+ | 2408871.00 | 2985924.00 | 2490754.00 | 2024072.00 | 2247606.50 | 2418989.00 | - | - | 2520909.50 | 2496583.00 | - | 2672664.00 | 2552727.00 | 2378346.50 | - | 2972909.00 | 2798883.67 | 2490393.00 | 3151271.33 | 2499137.71 | 2711770.00 | 2773930.00 | 2737702.12 | 2163128.50 | 2356351.57 | 2613783.00 | 2374710.50 | 2522113.27 | 2753062.92 | 3308512.00 | 3048693.50 | ||||
| 5^-METHYLTHIOADENOSINE (M+H)+ | 35783.00 | 48336.00 | 16025.00 | 27037.00 | 29820.33 | 33997.00 | 55706.00 | 52374.00 | 42746.00 | 63801.00 | 39278.00 | 52070.33 | 47758.00 | 41658.17 | 36526.33 | 44546.50 | 46273.00 | 36917.50 | 40686.75 | 42791.33 | 51169.00 | 41116.33 | 43194.13 | 44346.17 | 54584.00 | 54627.60 | 75920.00 | 42706.47 | 49335.05 | 47132.33 | 57362.83 | ||||
| ACETAMINOPHEN (TN TYLENOL) (M+H)+ | 3972.00 | 372870.00 | 4157.00 | - | 176008.33 | - | 349597.00 | 669101.00 | 4375.00 | 3738.50 | - | 6729336.00 | 3084.00 | 92550.40 | 1728291.00 | 10210.00 | 89534.50 | 109098.50 | 13366.00 | 2062488.86 | 33697.33 | 4692904.50 | 146589.12 | 1018663.00 | 858656.33 | 395622.00 | 2003278.25 | 1130329.00 | 569915.86 | 719698.00 | 3661667.00 | ||||
| ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | - | 12230.00 | 270.00 | - | 6877.00 | - | 5709.00 | 6568.00 | 2289.25 | 2338.00 | 121.00 | 583360.33 | 8502.00 | 1685.83 | 14648.50 | 4791.00 | 3579.50 | 4394.33 | 1093.75 | 556813.00 | 11544.00 | 688298.14 | 37533.70 | 226306.80 | 3871.62 | 9231.50 | 45383.00 | 294945.78 | 121650.25 | 12841.00 | 191127.33 | ||||
| ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | - | - | - | - | 2913.00 | - | - | - | - | - | - | 5101.00 | 3062.00 | - | - | - | - | 7284.00 | - | 6903.00 | 5337.00 | 4072.67 | 7629.50 | 6091.50 | 6098.00 | 9430.50 | 3938.00 | 4563.50 | 4313.80 | - | 2966.00 | ||||
| ADIPIC ACID (M+NA)+ | 42910.00 | 25462.00 | 59224.00 | - | 48852.00 | 11295.00 | 91656.00 | 16332.00 | 67949.33 | 40876.00 | 17083.00 | 16924.50 | - | 34337.40 | 31014.00 | - | 72546.50 | 15803.00 | 32714.50 | 60114.60 | 74637.33 | 40744.00 | 27148.89 | 32371.50 | 42970.17 | 41414.00 | - | 69102.44 | 18756.60 | 37173.00 | 33391.00 | ||||
| ASPARAGINE (M+H)+ | - | - | - | - | 7403.00 | - | 5108.00 | 3811.00 | 8813.00 | 8869.00 | 9742.00 | 8530.00 | 3885.00 | 4897.60 | 5361.67 | - | 2306.00 | 5757.33 | 17852.00 | 8103.80 | 5392.00 | 4729.50 | 8178.45 | - | 8842.00 | 4062.75 | 8410.75 | 3946.25 | 3442.70 | 16720.00 | 2653.50 | ||||
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 176216.00 | 216047.00 | 226661.00 | 149797.00 | 313589.00 | 261624.00 | 330559.00 | 362582.00 | 249594.25 | 318708.00 | 328019.00 | 273315.67 | 304225.00 | 258936.00 | 284612.33 | 347424.00 | 229144.67 | 290250.75 | 270118.50 | 240027.33 | 264737.60 | 263604.67 | 258980.07 | 246638.67 | 280521.70 | 287817.20 | 257146.00 | 244554.00 | 303799.68 | 237187.67 | 260532.33 | ||||
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | 228386.00 | 167850.00 | 289480.00 | 136120.00 | 637134.67 | 450808.00 | 600517.00 | 462492.00 | 382139.50 | 363237.50 | 408161.00 | 320832.00 | 499208.00 | 391451.83 | 269435.00 | 405573.00 | 212808.67 | 400541.25 | 270026.00 | 327520.89 | 347194.60 | 364732.44 | 297335.27 | 332695.67 | 351263.20 | 379715.80 | 323540.00 | 367544.47 | 314326.11 | 300060.00 | 312734.83 | ||||
| BUTYRYLCARNITINE (*) (M+H)+ | 109532.00 | 80227.00 | 134879.00 | 119779.00 | 164186.33 | 128629.00 | 177036.00 | 175605.00 | 150358.25 | 297526.75 | 99799.00 | 163347.33 | 47246.00 | 101511.33 | 102820.00 | 203970.50 | 385730.00 | 358134.50 | 118390.75 | 206317.56 | 279049.60 | 129325.00 | 201274.20 | 119896.20 | 193073.89 | 119255.60 | 179307.80 | 220262.67 | 166399.00 | 173638.67 | 234870.67 | ||||
| CAFFEINE (M+NA)+ | 36682.00 | 34335.00 | - | 3091.00 | 7298.00 | - | 12147.00 | 20922.00 | 10393.67 | 4734.33 | 1446.00 | 13190.50 | 12530.00 | 8074.00 | 14989.00 | 9181.00 | 15812.67 | 3465.50 | 12835.67 | 19691.00 | 21281.00 | 12747.50 | 17980.43 | 8918.00 | 18546.00 | 7549.33 | 5616.75 | 7583.50 | 11550.00 | - | 13772.33 | ||||
| CARNITINE (M+H)+ | 27181.00 | 654429.00 | 57093.00 | 1100699.00 | 938452.67 | 269727.00 | 110186.00 | 14422.00 | 213491.25 | 671992.50 | 526945.00 | 354546.67 | 1328730.00 | 1369181.33 | 1099692.00 | 348828.00 | 516112.33 | 1807934.00 | 1476616.00 | 460578.22 | 565605.20 | 2090379.22 | 1466957.80 | 1351423.83 | 388646.10 | 1353560.20 | 956808.00 | 1183943.67 | 1156147.84 | 835203.33 | 493399.50 | ||||
| CHOLESTEROL (M+H)+[-H2O] | 277384.00 | 313676.00 | 291693.00 | 299268.00 | 321929.00 | 234422.00 | 254052.00 | 242250.00 | 262801.50 | 316913.00 | 301718.00 | 264229.67 | 415785.00 | 333288.67 | 326634.67 | 268463.50 | 307478.67 | 283644.50 | 290130.25 | 254660.78 | 277157.80 | 322632.44 | 317692.87 | 297595.33 | 277140.30 | 331264.00 | 338255.60 | 271774.07 | 294744.74 | 300963.00 | 332576.17 | ||||
| CHOLINE M+ | - | 2554.00 | 1488.00 | 4260.00 | 3345.00 | 6533.00 | - | - | 6475.00 | - | - | 5620.50 | 2347.00 | 2945.00 | - | 2416.50 | 3846.33 | 1658.00 | 2152.50 | 2213.67 | 4609.00 | 3150.25 | 3100.00 | 3183.00 | 4082.12 | 2647.00 | 3590.50 | 3132.73 | 4417.00 | 2074.00 | 3886.50 | ||||
| CHOLINE PHOSPHATE (M+H)+ | 13834.00 | 10446.00 | 6938.00 | 4609.00 | 14635.00 | 9963.00 | 9719.00 | 5008.00 | 15639.50 | 15538.50 | 9748.00 | 16122.33 | 7390.00 | 13428.40 | 5505.33 | 27167.50 | 21506.00 | 8908.00 | 7778.00 | 16166.33 | 8974.75 | 13052.14 | 9817.33 | 7695.00 | 11782.30 | 8472.20 | 7740.40 | 12138.33 | 10847.56 | 16729.00 | 11271.83 | ||||
| CITRIC ACID (M+NA)+ | 306208.00 | 249946.00 | 326526.00 | 247227.00 | 327676.00 | 241911.00 | 432912.00 | 232695.00 | 390934.75 | 280375.00 | 302992.00 | 248228.00 | 261502.00 | 319894.67 | 246423.67 | 401383.50 | 205545.00 | 259595.00 | 202914.25 | 262337.22 | 276240.20 | 275652.89 | 254579.53 | 273807.83 | 210737.10 | 292695.00 | 241912.60 | 308506.00 | 236268.68 | 450127.67 | 271729.67 | ||||
| CREATINE (M+H)+ | 128624.00 | 447338.00 | 367296.00 | 327233.00 | 404563.67 | - | 49492.00 | - | 308401.67 | 404184.00 | 600548.00 | 502026.00 | 198781.00 | 272553.50 | 146659.00 | 257436.50 | 189810.00 | 438997.50 | 543729.75 | 266020.00 | 300806.80 | 355701.17 | 417008.36 | 205221.20 | 174889.14 | 363298.00 | 454609.25 | 197139.58 | 248989.81 | 813885.00 | 195967.33 | ||||
| CREATININE (M+H)+ | 1239595.00 | 1392594.00 | 238956.00 | 253800.00 | 287242.33 | 15107.00 | - | 138738.00 | 277028.50 | 407540.00 | 8416.00 | 14876.50 | 530161.00 | 243506.50 | 195319.00 | 199080.50 | 389698.33 | 658451.25 | 239308.25 | 255611.22 | 909214.20 | 319834.43 | 345620.93 | 609824.17 | 223927.00 | 336168.00 | 478748.75 | 464715.71 | 401116.21 | 180232.00 | 564615.00 | ||||
| CYSTATHIONINE (M+H)+ | 8764.00 | 6720.00 | 5897.00 | 4389.00 | 7206.50 | 4337.00 | 7781.00 | 8392.00 | 6867.50 | 6432.00 | 9459.00 | 10420.00 | - | 6599.80 | 6536.33 | 9549.00 | 6596.00 | 7571.00 | 5301.00 | 8231.67 | 5726.33 | 8331.80 | 8244.33 | 5712.33 | 7434.62 | 7346.00 | 7003.00 | 7017.56 | 6472.00 | 9052.00 | 6551.25 | ||||
| CYSTEIC ACID (M+H)+ | 2422.00 | 6625.00 | 4311.00 | 3458.00 | 6259.50 | - | - | - | 12802.00 | 8300.00 | 11577.00 | 13158.00 | - | 4698.40 | 3624.67 | 6634.00 | 5475.00 | 4302.00 | 11290.00 | 7336.89 | 4604.00 | 6111.50 | 8221.62 | 3120.00 | 6844.14 | 2257.00 | 5790.25 | 4091.71 | 4940.14 | 9840.00 | 3291.67 | ||||
| CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+ | 46415.00 | 10614.00 | 12670.00 | 7121.00 | 20179.33 | 8855.00 | 22477.00 | 15019.00 | 30307.50 | 14243.75 | - | 14644.33 | 20318.00 | 16377.50 | 21581.67 | 13150.00 | 6958.33 | 19566.00 | 8429.00 | 17288.11 | 9022.40 | 16865.22 | 14545.69 | 8695.00 | 19724.30 | 7633.00 | 15970.80 | 22914.13 | 12845.50 | 20046.33 | 18662.17 | ||||
| DECANOYLCARNITINE (*) (M+H)+ | 6037.00 | 6019.00 | 8959.00 | 11857.00 | 4488.67 | 24903.00 | 21845.00 | 14377.00 | 18396.75 | 13933.75 | 5613.00 | 18859.00 | 10099.00 | 5698.00 | 8966.67 | 26633.00 | 39090.00 | 10322.75 | 8993.67 | 9684.22 | 15715.80 | 8947.50 | 9821.15 | 11277.83 | 17447.56 | 7433.20 | 10552.60 | 13025.86 | 15888.21 | 13033.00 | 12896.17 | ||||
| DECENOYLCARNITINE (*) (M+H)+ | 26138.00 | 31332.00 | 21072.00 | 37338.00 | 16952.33 | 53534.00 | 34073.00 | 18947.00 | 36532.00 | 32363.25 | 4499.00 | 34273.00 | 18345.00 | 34383.80 | 31488.00 | 21591.50 | 65408.33 | 49076.67 | 25464.67 | 30408.67 | 39996.60 | 21837.86 | 33475.93 | 44348.83 | 51165.20 | 22792.00 | 23805.40 | 32298.55 | 36610.71 | 26629.67 | 35800.50 | ||||
| DODECENOYLCARNITINE (*) II M+ | 118524.00 | 9940.00 | 122736.00 | 68777.00 | 24674.00 | 74271.00 | 36439.00 | 10174.00 | 99258.00 | 26067.00 | 12053.00 | 42071.67 | 6205.00 | 81077.40 | 50561.67 | 34012.00 | 55681.67 | 328988.67 | 24630.50 | 105061.71 | 76295.00 | 54807.00 | 59920.86 | 79333.80 | 43989.00 | 57624.60 | 38807.25 | 80112.25 | 38678.94 | 46645.33 | 39011.50 | ||||
| EDTA (M+NA)+ | 738983.00 | 702506.00 | 923375.00 | 935908.00 | 846673.67 | 688977.00 | 15579.00 | 289989.00 | 892026.50 | 848194.75 | 634307.00 | 688209.33 | 741232.00 | 643712.33 | 626735.67 | 829704.50 | 667007.33 | 545222.50 | 624453.00 | 844273.44 | 779540.25 | 648665.44 | 783122.64 | 649294.17 | 705146.50 | 556416.75 | 517363.25 | 749675.73 | 632211.00 | 696613.67 | 713163.33 | ||||
| ELAIDIC ACID (M+H)+ | 60583.00 | 8996.00 | 70568.00 | 52206.00 | 53002.67 | 38415.00 | 65837.00 | 28030.00 | 74919.50 | 32772.00 | 77656.00 | 45845.67 | 20973.00 | 57156.67 | 48380.33 | 44103.50 | 26372.00 | 45644.75 | 33261.75 | 60924.22 | 42310.80 | 58737.33 | 32289.80 | 48109.50 | 32213.00 | 55076.50 | 35660.60 | 59268.80 | 29911.37 | 61600.33 | 43775.67 | ||||
| EPIANDROSTERONE (M+H)+[-H2O] | - | - | - | - | 4611.67 | 3855.00 | - | - | 8156.25 | 5527.50 | - | 2252.50 | 4041.00 | 7881.00 | 6248.50 | 10123.00 | 3641.33 | 1540.00 | 3428.50 | 8996.00 | 23736.25 | 4076.00 | 4160.78 | 15832.60 | 7369.43 | 8151.00 | 12477.00 | 8526.30 | 9067.08 | 1823.00 | 9322.40 | ||||
| EPIBRASSINOLIDE [ISTD] (M+NA)+ | - | - | - | - | - | - | - | - | 412951.00 | 399597.00 | - | - | 212819.00 | 257073.00 | - | 13643.00 | 31677.00 | 468163.00 | 249317.00 | 200179.67 | 266954.00 | 220205.33 | 325495.33 | 211661.00 | 119230.00 | 271586.50 | 264850.50 | 285567.50 | 282223.12 | - | 269743.50 | ||||
| GAMMA-LINOLENIC ACID (M+NA)+ | 13286.00 | 3191.00 | 19871.00 | 11595.00 | 14954.00 | 7478.00 | 51135.00 | 24102.00 | 13328.50 | 12498.75 | 21310.00 | 10696.00 | 7682.00 | 14186.83 | 13449.67 | 11184.50 | 7784.33 | 16384.75 | 10297.50 | 19007.67 | 10293.20 | 12648.56 | 9024.40 | 16313.00 | 10602.00 | 12688.00 | 11325.40 | 12950.67 | 6841.33 | 21794.33 | 12862.67 | ||||
| GLUCOSE (2M+NA)+ | 13637.00 | 12269.00 | 4190.00 | 11293.00 | 9294.00 | 9425.00 | - | - | 34964.00 | 12485.00 | - | 15223.50 | 14127.00 | 27484.00 | - | 19629.00 | 19835.50 | 6851.00 | 11752.00 | 10519.71 | 9729.00 | 22675.60 | 54384.00 | 9633.60 | 9293.12 | 16170.00 | 5734.67 | 13143.50 | 12782.50 | 16077.00 | 8320.75 | ||||
| GLUCOSE (M+NA)+ | 229569.00 | 280873.00 | 139708.00 | 122817.00 | 315420.00 | 208757.00 | 136228.00 | 150822.00 | 331712.50 | 239333.75 | 720978.00 | 560971.00 | 307866.00 | 334189.17 | 108365.67 | 418684.50 | 321691.67 | 227643.75 | 267772.25 | 240654.89 | 290683.60 | 397386.33 | 450574.07 | 239339.17 | 223313.60 | 347008.80 | 185636.00 | 232114.00 | 250544.42 | 346936.33 | 198744.00 | ||||
| GLUTARYLCARNITINE (*) (M+H)+ | - | - | - | - | 22043.00 | - | - | - | 104413.00 | 162049.00 | 169910.00 | 54799.00 | - | 77322.00 | 27995.50 | - | - | 48638.00 | 54022.00 | 75105.00 | - | 108566.33 | 71821.57 | - | 57363.50 | 35178.00 | 73023.50 | 29332.00 | 64264.75 | 79353.00 | 128443.50 | ||||
| GLYCEROL MYRISTATE (M+NA)+ | - | - | - | - | 10749.00 | - | 14819.00 | 12556.00 | 4344.00 | 9528.00 | 13311.00 | 11258.00 | - | 6790.67 | 6481.00 | - | - | 17058.00 | 9280.00 | 10075.00 | - | 10620.00 | 8458.00 | - | 9334.00 | 6902.00 | - | 13049.00 | 10645.00 | - | 5961.00 | ||||
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | - | - | 3603.00 | 7688.00 | 1772.00 | 4334.00 | 296.00 | 217.00 | 7202.33 | 6521.25 | 149.00 | 310.00 | - | 3323.83 | 610.00 | - | 3525.00 | 7430.50 | 8011.75 | 10117.83 | 37760.75 | 6908.29 | 3177.38 | 24933.80 | 5818.00 | 2481.80 | 1130.40 | 7628.90 | 16146.07 | 35144.00 | 11131.60 | ||||
| GLYCOCHOLIC ACID (M+H)+[-H2O] | - | 61600.00 | 1700.00 | 19413.00 | 14604.00 | 18457.00 | - | 84691.00 | 9588.00 | 28870.67 | 16493.00 | 18383.67 | - | 34173.33 | 18247.00 | 37680.50 | 16256.33 | 13327.75 | 20300.33 | 49656.33 | 32856.80 | 24827.00 | 40327.08 | 36330.50 | 40429.43 | 36609.00 | 27977.80 | 17358.30 | 24399.77 | 93488.50 | 18805.00 | ||||
| GUANINE (M+H)+ | 49394.00 | 108479.00 | 3868.00 | 72076.00 | 21675.33 | 46412.00 | 51674.00 | 72687.00 | 61224.75 | 80896.25 | 47412.00 | 57560.33 | 60150.00 | 72900.83 | 56614.00 | 54263.00 | 70310.00 | 49872.50 | 92028.50 | 64041.12 | 69711.40 | 67327.00 | 74835.40 | 64109.17 | 81596.10 | 60873.40 | 72437.50 | 58328.20 | 86660.17 | 57780.33 | 71219.50 | ||||
| HEXANOYLCARNITINE (*) M+ | 280868.00 | 77921.00 | 162069.00 | 122975.00 | 57086.33 | 109969.00 | 110948.00 | 45255.00 | 187136.00 | 108299.50 | 59574.00 | 113553.00 | 39971.00 | 140954.67 | 93993.00 | 90388.50 | 134343.67 | 815041.25 | 77134.25 | 187406.22 | 126299.20 | 121151.22 | 113254.27 | 130664.00 | 121086.60 | 109545.40 | 87365.00 | 146726.13 | 82200.22 | 113583.00 | 108531.50 | ||||
| HOMOGENTISIC ACID (M+H)+ | 424656.00 | 105088.00 | 898054.00 | 81088.00 | 178113.33 | 116755.00 | 131081.00 | 112699.00 | 422896.25 | 234858.25 | 494021.00 | 170809.00 | 234793.00 | 288460.83 | 165882.00 | 142090.50 | 99386.00 | 216526.75 | 128552.00 | 265323.00 | 187920.50 | 314148.89 | 238421.07 | 159701.80 | 188543.60 | 253799.75 | 194023.75 | 261352.93 | 154607.44 | 217875.67 | 197868.17 | ||||
| HOMOVANILLIC ACID (M+H)+ | - | - | - | 6181.00 | - | 7350.00 | 32681.00 | 15869.00 | 13162.00 | 16997.50 | 4227.00 | 11266.33 | - | 13198.50 | 15886.00 | - | 11539.00 | 11304.67 | 11443.67 | 12381.25 | 10373.50 | 10791.60 | 11496.44 | 365038.00 | 13260.88 | 20579.00 | 23985.20 | 16358.11 | 11150.50 | 12761.00 | 10342.00 | ||||
| HYPOXANTHINE (M+H)+ | 656532.00 | - | 1084185.00 | 623217.00 | 622439.00 | - | 534219.00 | 468825.00 | 710446.75 | 419344.00 | 621537.00 | 338185.33 | 359417.00 | 582959.67 | 406786.00 | 623428.00 | 521819.33 | 558411.25 | 334010.33 | 1365694.78 | 330494.00 | 551275.88 | 536636.79 | 626308.20 | 571932.71 | 455551.33 | 525700.25 | 981502.53 | 443699.19 | 499848.33 | 497883.00 | ||||
| ISO-BUTYRYLCARNITINE (*) (M+H)+ | 289402.00 | 322620.00 | 158950.00 | 156969.00 | 162894.00 | 220663.00 | 155728.00 | 153949.00 | 374987.75 | 649897.25 | 217131.00 | 326443.33 | 206236.00 | 289930.83 | 317865.00 | 322126.50 | 547656.33 | 674672.00 | 355931.25 | 453402.33 | 528935.00 | 304604.75 | 305235.13 | 340593.20 | 526817.30 | 284149.20 | 481991.20 | 374702.21 | 300104.06 | 481650.00 | 274986.00 | ||||
| ISOLEUCINE (M+H)+ | 43044350.00 | 58568567.00 | 42873965.00 | 44785522.00 | 43306840.67 | 51915389.00 | 63775902.00 | 59776290.00 | 63843342.25 | 72678040.50 | 71713879.00 | 58836745.67 | 24393577.00 | 34251807.17 | 47586137.67 | 54022895.50 | 42626402.67 | 53617317.50 | 35152358.75 | 49606741.89 | 44337663.40 | 57323927.33 | 46267131.13 | 46111348.00 | 45206834.70 | 47745772.60 | 30519288.20 | 44590375.47 | 49804475.11 | 61310092.67 | 47809876.67 | ||||
| ISOLEUCINE (M+NA)+ | 432036.00 | 428988.00 | 494266.00 | 326251.00 | 282825.67 | 306335.00 | 539339.00 | 294782.00 | 425348.00 | 392051.00 | 345482.00 | 327030.00 | 244757.00 | 275259.67 | 307402.00 | 364997.50 | 320318.33 | 341981.50 | 360845.75 | 388181.00 | 326082.40 | 431436.78 | 296771.93 | 326360.00 | 358675.10 | 294744.60 | 307616.25 | 325333.67 | 326767.95 | 492161.67 | 384591.00 | ||||
| ISOVALERYLCARNITINE (*) (M+H)+ | 247809.00 | 331272.00 | 88829.00 | 98125.00 | 214212.67 | 317301.00 | 236037.00 | 220886.00 | 286224.25 | 559869.75 | 132986.00 | 341223.33 | 233024.00 | 194292.83 | 176532.67 | 282366.00 | 393024.67 | 124161.75 | 220497.25 | 317566.11 | 270033.80 | 273101.56 | 200539.27 | 399773.67 | 411425.70 | 183343.00 | 213451.60 | 357607.13 | 271036.63 | 310132.00 | 369620.17 | ||||
| KYNURENIC ACID (M+H)+ | 57004.00 | 41197.00 | 36449.00 | 22210.00 | 51593.00 | 73904.00 | 100964.00 | 110632.00 | 82418.25 | 77632.25 | - | 67646.67 | 43680.00 | 34619.25 | 40495.33 | 62621.00 | 114870.50 | 34913.67 | 58540.67 | 75248.75 | 425073.00 | 64937.29 | 66746.64 | 475838.00 | 78071.78 | 373542.00 | 545793.60 | 69607.38 | 56175.94 | 95424.50 | 61069.83 | ||||
| KYNURENINE (M+H)+ | 483349.00 | 717379.00 | 501352.00 | 477042.00 | 559484.67 | 1281517.00 | 1015502.00 | 1167600.00 | 889337.25 | 881189.50 | 798179.00 | 971906.33 | 878383.00 | 459148.33 | 493543.67 | 738716.00 | 707930.33 | 447947.50 | 527843.25 | 735248.33 | 758081.40 | 591766.00 | 608555.40 | 735855.17 | 724041.10 | 738637.20 | 899926.80 | 581044.33 | 731226.11 | 669614.67 | 804554.67 | ||||
| KYNURENINE (M+NA)+ | 17996.00 | 22509.00 | 12853.00 | 16615.00 | 17141.00 | 36214.00 | - | - | 39453.50 | 31985.00 | - | 10623.00 | 25142.00 | 15396.50 | - | 25198.00 | 22624.00 | 14958.00 | 17512.33 | 20282.00 | 19398.50 | 11687.00 | 15112.75 | 17732.67 | 23479.71 | 15827.00 | 12744.67 | 18336.60 | 22106.67 | 16916.00 | 13563.25 | ||||
| L-ARGININE (M+H)+ | 2719.00 | 13154.00 | 3136.00 | 6656.00 | 5623.33 | 3944.00 | 6052.00 | 2104.00 | 3857.00 | 9348.50 | - | 4970.50 | 5455.00 | 4915.83 | 4845.67 | 5913.50 | 5869.50 | 7619.00 | 7063.25 | 4962.78 | 6479.50 | 6588.00 | 8272.15 | 8461.33 | 6244.11 | 6010.80 | 8241.25 | 6641.00 | 7126.62 | 7828.50 | 4442.50 | ||||
| L-ARGININE (M+NA)+ | 5766.00 | 8567.00 | 1894.00 | 2513.00 | 5786.00 | 3781.00 | 5330.00 | 4449.00 | 4642.00 | 6794.00 | 3822.00 | 5777.50 | 4832.00 | 4461.40 | 5393.67 | 6369.00 | 3915.00 | 7558.25 | 5579.00 | 4929.38 | 6676.50 | 4940.22 | 5677.47 | 5557.75 | 5133.20 | 6118.60 | 5032.60 | 5375.57 | 6241.76 | 5040.33 | 5028.40 | ||||
| LAUROYLCARNITINE (M+H)+ | 44837.00 | 10998.00 | 16157.00 | 19309.00 | 17474.50 | 71627.00 | - | 9597.00 | 47087.67 | 31382.33 | 5977.00 | 41752.50 | - | 16938.00 | 27613.00 | 57928.00 | 26860.00 | 9208.00 | 9002.00 | 16327.20 | 87441.33 | 67608.80 | 68990.89 | 50749.50 | 34592.43 | 22748.00 | 34655.50 | 33192.67 | 64970.80 | 19796.33 | 30128.50 | ||||
| L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 4007492.00 | 3659673.00 | 4407172.00 | 3698937.00 | 3701298.00 | 3734099.00 | 4119533.00 | 3498623.00 | 3901068.00 | 3672328.00 | 4066365.00 | 3795850.33 | 3662880.00 | 3847771.00 | 3951895.67 | 3804350.50 | 3815326.33 | 3559006.25 | 3678296.25 | 3853597.78 | 3928591.60 | 3937904.44 | 3907597.07 | 4036305.83 | 3759591.00 | 3947425.80 | 3746085.80 | 3920719.60 | 3803322.16 | 3915663.33 | 3813787.50 | ||||
| LYSINE (M+H)+ | 25541.00 | 40100.00 | 19948.00 | 32434.00 | 25180.67 | 30126.00 | 22801.00 | 29486.00 | 27241.25 | 36674.00 | 29765.00 | 32320.00 | 25863.00 | 25738.17 | 25713.33 | 28985.00 | 28324.00 | 28703.50 | 36781.25 | 29376.33 | 31509.20 | 26720.33 | 31177.93 | 31605.50 | 31956.90 | 32490.40 | 32254.40 | 29305.80 | 35570.26 | 29296.00 | 27161.67 | ||||
| METHIONINE (M+H)+ | 1728740.00 | 3754133.00 | 1784820.00 | 2765764.00 | 1816543.00 | 1776632.00 | 1700272.00 | 2717581.00 | 2279451.50 | 3085029.50 | 1842263.00 | 2231701.00 | 2113831.00 | 2604904.50 | 2306268.00 | 2330933.50 | 2531187.00 | 2496439.00 | 3272886.75 | 2403644.67 | 2631498.20 | 2488795.00 | 2858731.00 | 2396778.00 | 3010875.90 | 2921902.00 | 2825318.80 | 2559231.93 | 3140991.74 | 2503878.33 | 2607047.33 | ||||
| METHYL BETA-D-GALACTOSIDE (M+NA)+ | 15588.00 | 16638.00 | 11420.00 | 18844.00 | 15461.00 | 22114.00 | 44909.00 | 70010.00 | 13691.00 | 24969.33 | 10297.00 | 20539.00 | - | 15078.00 | 23695.00 | 21557.00 | 9786.50 | 19423.00 | 12284.00 | 22708.83 | 32695.00 | 23991.40 | 26517.57 | 40365.50 | 35508.50 | 24289.50 | 35227.00 | 19039.12 | 30384.40 | 20154.33 | 24787.25 | ||||
| N-ACETYL-DL-SERINE (M+H)+[-H2O] | 249315.00 | 251217.00 | 248055.00 | 220669.00 | 368744.33 | 238678.00 | 228953.00 | 239696.00 | 345078.25 | 315889.75 | 279134.00 | 273526.33 | 292002.00 | 243371.00 | 375895.67 | 338337.50 | 282296.33 | 259366.50 | 216493.75 | 245291.67 | 206385.20 | 261627.11 | 274177.27 | 316873.33 | 277542.40 | 285485.20 | 262908.40 | 295652.07 | 283725.22 | 206325.67 | 275670.50 | ||||
| N-ACETYL-L-ALANINE (M+NA)+ | - | - | - | - | - | - | 14109.00 | 54889.00 | 33793.50 | 6492.00 | - | 74515.00 | - | 52811.00 | 25534.00 | - | - | 83012.00 | - | 16121.00 | - | 16634.67 | 236320.00 | - | 30027.50 | 141319.00 | 352681.00 | 62047.50 | 4833.00 | - | 18147.50 | ||||
| NICOTINAMIDE (M+H)+ | - | 28409.00 | - | 44286.00 | - | 54465.00 | - | - | 151162.00 | 31100.00 | - | 29849.50 | 46699.00 | 42622.00 | - | - | 45641.00 | 75585.00 | 46713.50 | 151981.33 | 42543.25 | 38118.00 | 43445.88 | 36384.80 | 42596.60 | 39937.50 | 45255.00 | 94197.75 | 156724.00 | 42097.00 | 25714.00 | ||||
| OCTENOYLCARNITINE (*) M+ | 291354.00 | 222519.00 | 292735.00 | 328869.00 | 87262.00 | 162820.00 | 107743.00 | 24072.00 | 238533.50 | 149835.50 | 52990.00 | 153399.67 | 80801.00 | 181402.83 | 257399.67 | 490776.00 | 895282.33 | 178324.75 | 156623.75 | 297883.00 | 713389.50 | 147660.78 | 238257.07 | 505931.50 | 379583.70 | 182742.40 | 393166.80 | 288886.36 | 212857.67 | 450233.00 | 216870.67 | ||||
| OLEIC ACID (M+H)+ | 6454.00 | 5098.00 | - | 16133.00 | 21269.50 | 12410.00 | 22619.00 | 19553.00 | 8970.33 | 23749.00 | 17611.00 | 13568.00 | - | 17540.67 | 19391.33 | 18495.00 | 8974.50 | 17160.50 | 12137.00 | 13372.40 | 16456.33 | 15060.40 | 20188.56 | 9735.75 | 16164.75 | 14771.50 | 12313.00 | 14212.25 | 13592.40 | 18657.00 | 12396.00 | ||||
| OLEIC ACID (M+NA)+ | 50850.00 | 45214.00 | 68819.00 | 59821.00 | 39888.00 | 15062.00 | 64441.00 | 49205.00 | 44025.75 | 42685.75 | 68180.00 | 40571.00 | 64665.00 | 46618.50 | 57294.67 | 68633.00 | 42747.33 | 56329.25 | 35751.50 | 42819.67 | 47840.00 | 50103.00 | 45598.21 | 47036.40 | 44329.20 | 53692.00 | 54758.40 | 51028.33 | 38363.00 | 58684.00 | 46820.50 | ||||
| OLEOYL-GLYCEROL (M+H)+ | - | 4976.00 | - | 5492.00 | 10838.00 | 6729.00 | - | - | 17168.00 | 22250.00 | - | 9925.50 | - | 6562.50 | - | 18599.00 | 14004.33 | 9739.00 | 9749.00 | 15754.29 | 20055.00 | 8331.40 | 13273.75 | 19364.17 | 12171.00 | 9355.00 | 8852.00 | 12232.36 | 16489.00 | 6698.00 | 11647.67 | ||||
| OLEOYL-GLYCEROL (M+NA)+ | 109531.00 | 55367.00 | 68112.00 | 49220.00 | 124233.00 | 101296.00 | 203047.00 | 343642.00 | 183696.25 | 208114.75 | 455400.00 | 128034.00 | 100859.00 | 99756.17 | 132679.33 | 231680.00 | 183068.00 | 108281.75 | 85384.25 | 221839.33 | 121729.20 | 110077.78 | 141965.40 | 267110.67 | 224403.90 | 91152.60 | 91411.20 | 150523.33 | 155417.79 | 183894.33 | 176565.67 | ||||
| ORNITHINE (M+H)+ | 10462.00 | 14476.00 | 9140.00 | 13979.00 | 14357.33 | 17224.00 | 12019.00 | 14444.00 | 13802.25 | 18496.00 | 17592.00 | 17404.67 | 13371.00 | 12542.17 | 12521.67 | 13392.00 | 12714.67 | 13003.00 | 15094.75 | 13837.89 | 15108.00 | 11212.89 | 13988.40 | 17386.00 | 17434.60 | 14989.80 | 15409.60 | 15105.53 | 17975.68 | 11801.33 | 15866.83 | ||||
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+ | - | - | - | - | - | - | - | 6828.00 | - | - | - | 641276.00 | - | 1173.00 | 63902.00 | - | - | - | - | 167612.00 | - | 306483.67 | 2424.00 | 61663.00 | 1587506.00 | 13819.50 | 336352.50 | 188545.00 | 183052.00 | 19940.00 | 201594.33 | ||||
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | - | 11985.00 | - | - | 12850.00 | - | - | 45418.00 | - | - | - | 1021677.00 | - | 16575.00 | 176384.00 | - | 6142.00 | 7091.00 | - | 264551.67 | 3548.00 | 464643.67 | 14765.00 | 171127.00 | 1237206.00 | 78814.50 | 594754.00 | 445357.00 | 466783.00 | 104062.00 | 281119.25 | ||||
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+ | - | 37332.00 | - | - | 46037.00 | - | - | 179698.00 | - | - | - | 1728429.00 | - | 66065.00 | 533345.00 | - | 22633.00 | 20355.00 | - | 317963.67 | 6573.50 | 1088811.33 | 36026.00 | 648403.00 | 830093.00 | 167606.50 | 929618.00 | 1217726.00 | 1016015.00 | 363766.00 | 692177.50 | ||||
| PANTOTHENIC ACID (M+H)+ | 46437.00 | 44822.00 | 42490.00 | 58058.00 | 59104.67 | 49592.00 | 126686.00 | 121215.00 | 174826.75 | 109856.75 | 62697.00 | 99308.67 | 49050.00 | 69932.83 | 60398.33 | 68867.50 | 49646.00 | 48807.75 | 68103.00 | 89899.33 | 220115.80 | 53037.89 | 73810.27 | 135833.33 | 80223.80 | 95520.60 | 140255.40 | 101592.93 | 78154.16 | 93458.67 | 67367.50 | ||||
| PANTOTHENIC ACID (M+NA)+ | 25855.00 | 20678.00 | 24712.00 | 33786.00 | 29331.33 | 33391.00 | 73109.00 | 68312.00 | 123118.00 | 68486.25 | 34272.00 | 67458.67 | 26110.00 | 43446.17 | 32555.33 | 42467.00 | 31046.50 | 25411.00 | 37996.25 | 58686.44 | 42574.20 | 33078.56 | 42664.47 | 32179.20 | 49683.00 | 56434.40 | 37075.00 | 65145.71 | 45300.68 | 58915.67 | 40864.83 | ||||
| PHENYLALANINE (M+H)+ | 363268.00 | 245306.00 | 86946.00 | 73324.00 | 102265.00 | 61786.00 | 95625.00 | 1538141.00 | 173507.25 | 178490.75 | 423912.00 | 150342.33 | 77832.00 | 267337.17 | 72108.00 | 233656.00 | 215065.67 | 182004.50 | 237649.25 | 189634.33 | 174976.75 | 289285.78 | 171463.40 | 214194.17 | 263215.00 | 142563.00 | 162749.20 | 217101.67 | 153741.21 | 247104.00 | 155906.00 | ||||
| PIPECOLIC ACID (M+H)+ | 563335.00 | 660915.00 | 611920.00 | 561017.00 | 640672.00 | 593230.00 | 632690.00 | 1046622.00 | 696645.00 | 640321.25 | 246956.00 | 628086.00 | 511885.00 | 557640.33 | 391642.67 | 334567.00 | 531141.67 | 619716.00 | 655284.25 | 681889.33 | 885712.60 | 661708.78 | 698690.77 | 620569.50 | 619076.00 | 495059.50 | 516304.75 | 699538.80 | 805020.16 | 303694.67 | 598169.83 | ||||
| PROLINE (M+H)+ | 2081051.00 | 3600937.00 | 1075470.00 | 1405995.00 | 3836595.00 | 1723522.00 | - | - | 1072073.00 | 739244.00 | - | 3305027.00 | 1910956.00 | 2003956.00 | - | 2099355.00 | 1648322.33 | 1637572.67 | 1866087.67 | 1139051.00 | 1744273.60 | 1500203.80 | 2146002.00 | 1627279.00 | 1307486.00 | 2079649.00 | 1099121.33 | 1331922.64 | 1946379.58 | 1151540.00 | 1617949.75 | ||||
| PROPIONYLCARNITINE (*) (M+H)+ | 422166.00 | 613278.00 | 250216.00 | 362711.00 | 139668.50 | 287905.00 | 59291.00 | 100764.00 | 111465.67 | 402774.67 | 105654.00 | 297411.50 | - | 222692.00 | 132201.67 | 199608.00 | 311862.50 | 343223.00 | 319841.00 | 237605.17 | 256264.00 | 112880.20 | 162652.44 | 305774.75 | 396284.88 | 113632.00 | 141651.00 | 231665.33 | 165804.09 | 305584.33 | 181586.00 | ||||
| S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ | 13644.00 | 6786.00 | - | - | 12229.33 | 11689.00 | - | - | 21539.75 | 10559.00 | 13331.00 | 11030.50 | 18916.00 | 12598.80 | 14732.00 | 7396.50 | 9955.00 | 6152.67 | 8134.67 | 19422.44 | 16607.00 | 12363.33 | 8551.36 | 13250.00 | 9034.22 | 21806.33 | 19811.60 | 17001.83 | 11902.78 | 20055.67 | 14881.00 | ||||
| SERINE (M+H)+ | - | - | - | - | 2328.00 | - | - | - | - | 2971.00 | - | - | 2780.00 | - | - | 10795.00 | 9478.00 | - | - | 6202.00 | 3825.00 | 4589.67 | 5590.25 | 4953.50 | 7074.00 | 2249.00 | 4926.00 | 6808.00 | 4936.00 | - | 8853.50 | ||||
| SEROTONIN (M+H)+ | - | - | - | - | 741200.67 | 850253.00 | - | - | 1971245.50 | 1439424.33 | 135015.00 | 475709.00 | 1104193.00 | 790461.50 | 1486900.00 | - | 1486969.50 | 1306626.50 | 1009107.50 | 1201540.57 | 1720575.33 | 875491.86 | 921530.56 | 1427729.00 | 1159598.29 | 1121963.00 | 1632959.67 | 1323958.12 | 1125242.83 | 203346.00 | 1306268.17 | ||||
| SEROTONIN (M+NA)+ | - | 37114.00 | - | - | 97610.00 | 83829.00 | - | - | 188091.00 | 190535.67 | 22141.00 | 75702.00 | 208003.00 | 87984.25 | 81617.67 | 53525.00 | 114691.00 | 86921.67 | 151782.33 | 123770.25 | 187291.50 | 98946.75 | 84603.31 | 120087.67 | 111135.62 | 152888.25 | 162400.67 | 118994.30 | 86954.41 | 35954.00 | 142348.83 | ||||
| SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | 197443.00 | 371889.00 | 240857.00 | 214656.00 | 273027.33 | 230591.00 | 224537.00 | 345732.00 | 326723.00 | 388209.50 | 427199.00 | 257415.67 | 640079.00 | 419714.17 | 447586.00 | 342100.50 | 386202.00 | 500728.00 | 403434.50 | 268835.44 | 393564.50 | 468078.89 | 509000.21 | 382974.20 | 512205.78 | 407624.00 | 388760.50 | 350832.13 | 498425.58 | 242663.00 | 497257.83 | ||||
| SPERMIDINE (M+H)+ | 14526.00 | 19451.00 | 17420.00 | 6694.00 | 28097.00 | 33145.00 | 21090.00 | 20692.00 | 77629.75 | 18242.75 | 34800.00 | 27447.00 | 17455.00 | 28635.67 | 20034.00 | 13992.00 | 17761.00 | 17321.50 | 17245.25 | 44487.11 | 28359.60 | 27575.67 | 26787.92 | 33284.50 | 17290.89 | 23720.40 | 9170.20 | 30410.00 | 32775.11 | 24189.00 | 27340.00 | ||||
| SPERMINE (M+H)+ | - | 5082.00 | 18968.00 | - | 14431.33 | 8269.00 | 8402.00 | 6040.00 | 49518.00 | 7945.67 | 8267.00 | 16439.33 | 11618.00 | 11670.33 | 7377.67 | 5628.00 | 8859.00 | 8537.67 | 6273.33 | 41121.88 | 51511.25 | 23559.00 | 20169.45 | 17187.17 | 9206.38 | 9411.25 | 4750.00 | 17173.00 | 15857.41 | 20093.33 | 12166.20 | ||||
| STEAROYLCARNITINE (*) (M+H)+ | 72191.00 | 25832.00 | 103510.00 | 106509.00 | 179817.33 | 90571.00 | 88174.00 | 68902.00 | 120761.75 | 69778.25 | 80162.00 | 85756.00 | 33570.00 | 76846.33 | 70670.33 | 77127.00 | 60761.33 | 74314.25 | 57234.50 | 85584.67 | 110004.40 | 91615.11 | 64780.60 | 73025.83 | 73450.40 | 58339.00 | 55968.00 | 88392.60 | 67905.00 | 66696.00 | 70449.00 | ||||
| SUCROSE (M+NA)+ | 2858.00 | 2251.00 | 1227.00 | - | 3445.33 | 2019.00 | - | 11594.00 | 7444.33 | 11061.33 | 3010.00 | 5666.00 | 7475.00 | 34191.00 | 9583.00 | 2641.00 | 2243.67 | 1954.00 | 3465.50 | 4788.78 | 28957.75 | 23166.50 | 5353.55 | 8128.33 | 6128.00 | 11534.75 | 22209.00 | 5847.92 | 4882.93 | 26077.50 | 6487.50 | ||||
| TAUROCHENODEOXYCHOLIC ACID (M+NA)+ | - | - | - | - | - | - | - | 14031.00 | 18584.00 | 22528.33 | 2243.00 | 5270.00 | - | 26526.00 | - | - | - | 32963.00 | 11217.00 | 5065.00 | - | 8120.00 | 18167.00 | - | - | 3460.00 | 2809.00 | 8839.50 | 22259.50 | - | 4008.00 | ||||
| THEOBROMINE (M+H)+ | 667908.00 | 1176181.00 | 731318.00 | 228858.00 | 765281.33 | 73562.00 | 668517.00 | 825589.00 | 1241281.50 | 1380264.00 | 110102.00 | 464019.67 | 1835206.00 | 2202179.80 | 1765308.67 | 838411.00 | 595425.67 | 172633.50 | 2250378.50 | 923220.43 | 573348.60 | 632978.12 | 1286812.43 | 1473442.17 | 1018252.22 | 1975001.50 | 908328.00 | 746750.14 | 903809.61 | 703436.67 | 549148.83 | ||||
| THEOPHYLLINE (M+H)+ | 5162569.00 | 5076042.00 | 178731.00 | 838528.00 | 2389744.33 | 106605.00 | 4431336.00 | 7053222.00 | 1974990.00 | 960142.25 | 496001.00 | 1548030.67 | 1695190.00 | 1246094.40 | 2085910.00 | 1580193.50 | 1687133.00 | 279674.00 | 1825328.67 | 3720041.20 | 1952599.75 | 2499764.14 | 1357731.50 | 2620673.00 | 2789967.50 | 1407575.00 | 1493652.20 | 1821645.50 | 1409351.00 | 1822195.67 | 2731114.00 | ||||
| THEOPHYLLINE (M+NA)+ | 18805.00 | 16862.00 | - | 24308.00 | 34261.67 | 6688.00 | 7732.00 | 106912.00 | 67950.00 | 14569.50 | 8232.00 | 18491.00 | 10996.00 | 10733.20 | 43231.00 | 28482.00 | 27949.00 | 7056.75 | 26235.75 | 67426.20 | 23328.50 | 22686.22 | 17543.43 | 17878.40 | 26409.60 | 45759.00 | 12240.75 | 20540.33 | 21236.06 | 41057.67 | 22149.67 | ||||
| THREONINE (M+H)+[-H2O] | 54012.00 | 17839.00 | 17787.00 | 31350.00 | 16279.67 | 14365.00 | - | 20268.00 | 25274.75 | 26945.00 | 5052.00 | 12843.00 | 29537.00 | 31246.33 | 26620.67 | 22417.00 | 19686.67 | 19321.50 | 25775.00 | 20044.78 | 31688.80 | 20431.22 | 27996.27 | 21954.17 | 34388.89 | 21059.00 | 18738.20 | 22829.79 | 33567.05 | 30277.00 | 24769.80 | ||||
| TRANS-3^-HYDROXYCOTININE (M+H)+ | - | - | - | - | 107165.33 | 99599.00 | - | - | 221400.50 | 120212.67 | - | 63463.00 | 120082.00 | 148895.00 | 215567.00 | - | 155040.50 | 104817.00 | 131371.00 | 168880.83 | 122456.33 | 102209.57 | 98015.12 | 119108.50 | 98743.29 | 186477.33 | 224641.67 | 122267.22 | 102796.75 | 29063.00 | 128567.33 | ||||
| TRYPTOPHAN (M+H)+ | 18722440.00 | 25509631.00 | 17874947.00 | 24132996.00 | 19420811.00 | 21174424.00 | 20267482.00 | 22807387.00 | 20593301.50 | 26133197.25 | 20812713.00 | 22172890.00 | 24290095.00 | 19271664.33 | 20193742.00 | 22235234.00 | 21803487.00 | 19379456.50 | 24510648.25 | 21416806.44 | 19188489.40 | 21601771.22 | 21473297.47 | 18388762.83 | 22843828.60 | 18703635.60 | 22524967.80 | 20164391.73 | 22943987.84 | 18810542.00 | 22215112.17 | ||||
| TRYPTOPHAN (M+NA)+ | 413108.00 | 502405.00 | 406804.00 | 481492.00 | 404978.00 | 430496.00 | 406159.00 | 422619.00 | 437873.25 | 489563.00 | 413990.00 | 453129.33 | 477615.00 | 369901.33 | 414611.67 | 418224.50 | 429030.33 | 410538.00 | 475046.50 | 442497.56 | 360396.20 | 454528.33 | 427930.47 | 356298.83 | 448802.80 | 354864.00 | 384695.40 | 414601.13 | 451923.79 | 380374.33 | 450419.83 | ||||
| TYROSINE (M+H)+ | 6791664.00 | 9888544.00 | 5031334.00 | 5632218.00 | 6083362.33 | 7107337.00 | 4814069.00 | 5536732.00 | 6392298.50 | 8988424.00 | 6299508.00 | 6677201.67 | 5947497.00 | 6654420.00 | 6257218.00 | 6889204.50 | 7212568.00 | 6089132.75 | 7954718.25 | 6575912.44 | 6297753.00 | 6744700.44 | 7036652.07 | 6158147.33 | 7858150.90 | 6069175.40 | 6689463.60 | 6546395.80 | 7171561.42 | 6092881.67 | 7474247.33 | ||||
| TYROSINE (M+NA)+ | 322193.00 | 424200.00 | 159632.00 | 295190.00 | 195750.33 | 171917.00 | 498393.00 | 507433.00 | 254044.00 | 275821.75 | 98041.00 | 198442.33 | 162224.00 | 218494.33 | 279149.67 | 388430.00 | 300296.33 | 257604.00 | 237673.00 | 282196.86 | 227271.40 | 320801.22 | 258839.73 | 246517.00 | 328923.00 | 137880.80 | 232679.20 | 265425.60 | 270431.16 | 220877.00 | 285865.50 | ||||
| URIC ACID (M+H)+ | 2130525.00 | 1780851.00 | 1907999.00 | 994403.00 | 2735471.33 | 1580857.00 | 965635.00 | 907516.00 | 2274376.75 | 2346645.67 | 1627804.00 | 1824680.33 | 1858689.00 | 1460715.83 | 1529442.00 | 2005959.50 | 1764639.67 | 1472835.00 | 1324142.50 | 2649712.22 | 1463435.60 | 1761772.22 | 1432160.64 | 1616108.83 | 1842976.00 | 1433957.40 | 1467777.60 | 2202538.20 | 1777940.89 | 1949019.33 | 1941967.00 | ||||
| URIC ACID (M+NA)+ | 106446.00 | 86124.00 | 84434.00 | 47614.00 | 92147.67 | 90214.00 | 52221.00 | 53197.00 | 109500.25 | 124420.50 | 43827.00 | 74308.00 | 80300.00 | 63014.67 | 55536.33 | 117214.50 | 95198.67 | 59194.50 | 50753.25 | 127858.56 | 70823.20 | 93183.44 | 66366.60 | 86806.33 | 108145.70 | 51438.20 | 55779.20 | 120268.27 | 90793.68 | 68205.00 | 93071.17 | ||||
| URIDINE (M+H)+ | - | 6400.00 | 29805.00 | - | 15215.50 | 9172.00 | - | - | 21944.00 | 16916.00 | - | 28738.00 | 13205.00 | 11082.50 | - | 15449.00 | 10186.33 | 18051.67 | 10932.00 | 11459.83 | 8533.50 | 23855.75 | 15204.71 | 9546.50 | 8027.83 | 19220.33 | 13674.00 | 12530.18 | 12791.17 | 10066.00 | 17191.75 | ||||
| URIDINE (M+NA)+ | 22571.00 | 22778.00 | 83837.00 | - | 22182.00 | 25677.00 | - | - | 36047.75 | 32018.50 | 23941.00 | 28185.00 | 37278.00 | 27112.00 | 30549.67 | 36506.50 | 30771.33 | 27942.25 | 24632.25 | 36925.44 | 29228.50 | 35693.11 | 31315.73 | 24820.40 | 22125.89 | 27001.00 | 25758.00 | 29861.33 | 28948.26 | 32167.67 | 31190.00 | ||||
| VALINE (M+H)+ | 5421603.00 | 7014715.00 | 4961941.00 | 4842180.00 | 5135674.00 | 6908313.00 | 5333080.00 | 5437642.00 | 6373149.25 | 9001551.25 | 9068992.00 | 8232056.33 | 4785733.00 | 4917577.67 | 5387492.33 | 7096587.00 | 6821339.67 | 5868494.75 | 7363761.00 | 6474048.56 | 5636875.40 | 6249176.78 | 5839615.73 | 5841603.17 | 7128775.30 | 5444200.40 | 5770765.60 | 6028986.40 | 6827622.95 | 7044089.33 | 6846569.67 | ||||
| VALINE (M+NA)+ | - | - | - | - | - | - | 102939.00 | 84624.00 | 125542.00 | 147399.67 | 112767.00 | 139855.00 | - | 91920.25 | 96991.33 | - | - | 50925.00 | 123765.00 | 104459.00 | - | 108507.75 | 106898.83 | - | 95663.50 | 109996.50 | 114736.50 | 105386.50 | 120443.33 | 103994.50 | 103434.50 | ||||
| ZEATIN [ISTD] (M+H)+ | 1841226.00 | 1836232.00 | 1807237.00 | 1791119.00 | 1699763.67 | 1695989.00 | 1775172.00 | 1709228.00 | 1784324.50 | 1761158.00 | 1615265.00 | 1567499.33 | 1868677.00 | 1768817.17 | 1748196.33 | 1489807.00 | 1825494.33 | 1731220.50 | 1785031.50 | 1753683.89 | 1625116.40 | 1754890.78 | 1762163.93 | 1650103.83 | 1680928.80 | 1702768.40 | 1686591.00 | 1732847.00 | 1731379.84 | 1702597.00 | 1760269.50 |
Factors:
| F1 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:1 month |
| F2 | CT findings:Abnormal only | GOSE:4 | Gender:Male | Injury:3 months |
| F3 | CT findings:Abnormal only | GOSE:5 | Gender:Female | Injury:1 month |
| F4 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:1 month |
| F5 | CT findings:Abnormal only | GOSE:5 | Gender:Male | Injury:3 months |
| F6 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:1 month |
| F7 | CT findings:Abnormal only | GOSE:6 | Gender:Female | Injury:3 months |
| F8 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:1 month |
| F9 | CT findings:Abnormal only | GOSE:6 | Gender:Male | Injury:3 months |
| F10 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:1 month |
| F11 | CT findings:Abnormal only | GOSE:7 | Gender:Female | Injury:3 months |
| F12 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:1 month |
| F13 | CT findings:Abnormal only | GOSE:7 | Gender:Male | Injury:3 months |
| F14 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:1 month |
| F15 | CT findings:Abnormal only | GOSE:8 | Gender:Male | Injury:3 months |
| F16 | CT findings:Normal | GOSE:4 | Gender:Male | Injury:3 months |
| F17 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:1 month |
| F18 | CT findings:Normal | GOSE:5 | Gender:Female | Injury:3 months |
| F19 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:1 month |
| F20 | CT findings:Normal | GOSE:5 | Gender:Male | Injury:3 months |
| F21 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:1 month |
| F22 | CT findings:Normal | GOSE:6 | Gender:Female | Injury:3 months |
| F23 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:1 month |
| F24 | CT findings:Normal | GOSE:6 | Gender:Male | Injury:3 months |
| F25 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:1 month |
| F26 | CT findings:Normal | GOSE:7 | Gender:Female | Injury:3 months |
| F27 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:1 month |
| F28 | CT findings:Normal | GOSE:7 | Gender:Male | Injury:3 months |
| F29 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:1 month |
| F30 | CT findings:Normal | GOSE:8 | Gender:Female | Injury:3 months |
| F31 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:1 month |
| F32 | CT findings:Normal | GOSE:8 | Gender:Male | Injury:3 months |
| F33 | CT findings:Normal | GOSE:NA | Gender:Female | Injury:1 month |
| F34 | CT findings:Normal | GOSE:NA | Gender:Male | Injury:1 month |
