Data for ST000855
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,7-DIMETHYL URIC ACID (M-H)- | 1077611.50 | 1969532.33 | 4164826.00 | 5222563.50 | 3994389.00 | 5842729.74 | 4908121.48 | 6078845.35 | 6856488.40 | 7325156.50 | 6562531.17 | 7695327.43 | 13819213.50 | 3430950.00 | 8398260.00 | 6586654.50 | ||
| 1-METHYLXANTHINE (M-H)- | 115807.00 | 1127682.33 | 1332479.00 | 858819.00 | 76460.00 | 673434.37 | 830032.16 | 951793.38 | 1207124.18 | 1517483.50 | 1011335.00 | 1180500.14 | 1769897.00 | 689080.17 | 946256.50 | 964622.00 | ||
| 3^,5^-CYCLIC AMP (M-H)- | 1186586.00 | 937636.00 | 323381.00 | 331305.00 | 860841.00 | 489379.47 | 489256.44 | 487968.13 | 569133.25 | 309934.50 | 504030.00 | 576756.33 | 904442.17 | 328360.83 | 449449.60 | 424333.00 | ||
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 858354.50 | 1124396.00 | 3135741.00 | 1072982.00 | 1713020.00 | 1866365.25 | 1548604.02 | 1553305.53 | 1874349.74 | 1730926.50 | 2097122.67 | 1211626.00 | 2237472.67 | 2047601.17 | 1457745.83 | 1482008.00 | ||
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 58322.00 | 405543.00 | 803703.00 | 240297.00 | 70153.00 | 435825.09 | 446741.60 | 537144.61 | 743187.70 | 387329.50 | 567259.60 | 1347948.17 | 609165.86 | 714411.50 | 196240.80 | 22369.00 | ||
| 3-METHYLXANTHINE (M-H)- | 292630.00 | 549300.00 | 599585.00 | 1826507.00 | 5913.00 | 836793.38 | 1147811.69 | 1106304.45 | 1392997.30 | 2129762.50 | 1110825.83 | 1218384.00 | 1487051.71 | 741251.17 | 1393701.83 | 2188208.00 | ||
| 4-ACETAMIDOBUTANOIC ACID (M-H)- | 152308.50 | 62413.67 | 965499.00 | 77323.00 | 827456.00 | 290573.31 | 202191.69 | 327168.42 | 363848.02 | 167971.50 | 919522.33 | 258292.57 | 86250.17 | 771092.80 | 475180.33 | 94901.00 | ||
| 4-ACETAMINOPHEN SULFATE (M-H)- | 3157.00 | 1291092.50 | 9678.00 | 8917.00 | 618379.00 | 3903105.57 | 1140811.79 | 4939654.27 | 3876278.26 | 1552517.50 | 1876643.67 | 1236942.67 | 488884.33 | 133150.00 | 427213.50 | 12690.00 | ||
| 4-HYDROXYBENZOIC ACID (M-H)- | 126277.50 | 127694.33 | 1077676.00 | 406141.00 | 346560.00 | 779725.43 | 491474.71 | 685222.27 | 478646.98 | 218166.50 | 393898.00 | 1338991.14 | 328887.67 | 241085.20 | 291159.20 | 60915.50 | ||
| 4-METHYL-2-OXOPENTANOIC ACID (M-H)- | - | 62766.00 | 131323.00 | 48678.00 | 25471.00 | 248870.22 | 144450.21 | 110828.25 | 250675.86 | 67389.00 | 207074.75 | 286858.75 | 445231.20 | 83666.60 | 52058.00 | - | ||
| 4-PYRIDOXIC ACID (M-H)- | 81411942.50 | 86622481.67 | 12337255.00 | 3879162.50 | 506866.00 | 23909507.62 | 31475855.88 | 18906566.21 | 20178741.87 | 3130518.00 | 6812839.17 | 7116839.43 | 36281058.43 | 6832690.80 | 51928900.40 | 28889134.00 | ||
| ADIPIC ACID (M-H)- | 754791.00 | 1198895.67 | 2268117.00 | 919609.50 | 1205814.00 | 1564069.86 | 1726724.40 | 1776309.09 | 1729709.94 | 1944727.00 | 817434.00 | 1171038.86 | 1932535.17 | 1646067.50 | 1896205.20 | 1715499.00 | ||
| ARACHIDONIC ACID (M-H)- | 3696.00 | 20073.33 | 10480.00 | 42030.00 | 27161.00 | 100192.59 | 19818.64 | 19090.96 | 25284.83 | 86065.00 | 34501.50 | 12396.83 | 362002.14 | 38343.17 | 18411.50 | 70259.50 | ||
| CITRAMALIC ACID (M-H)- | 732111.50 | 473510.67 | 659210.00 | 1193704.00 | 804485.00 | 970064.66 | 888852.08 | 939568.58 | 942282.04 | 856304.50 | 702442.33 | 869932.86 | 1281631.71 | 908252.17 | 778789.83 | 1629401.00 | ||
| DEOXYCHOLIC ACID (M+Cl)- | 10969.50 | 23327.00 | 22575.00 | 27846.00 | - | 16561.78 | 19784.35 | 21354.68 | 20904.87 | 5065.00 | 19232.00 | 11295.20 | 30265.20 | 19129.00 | 25810.20 | 21241.50 | ||
| DEOXYCHOLIC ACID (M-H)- | 84040.00 | 89201.33 | 84185.00 | 125840.00 | - | 64735.16 | 90083.32 | 100147.95 | 92135.50 | 24865.00 | 54811.00 | 92973.80 | 104278.29 | 85780.00 | 99259.83 | 94065.50 | ||
| DOCOSAHEXAENOIC ACID (M-H)- | - | 5352.67 | 3324.00 | 21679.50 | 11014.00 | 58937.60 | 10007.17 | 10338.76 | 15016.76 | 32769.00 | 16451.50 | 8946.80 | 188696.67 | 16398.83 | 6772.40 | 36811.00 | ||
| EPIBRASSINOLIDE [ISTD] (M+Cl)- | 823321.00 | 527334.33 | 843467.00 | 636690.50 | 659772.00 | 759969.62 | 719362.44 | 660887.58 | 741211.04 | 655627.50 | 762309.50 | 871596.71 | 592820.14 | 768324.67 | 783403.17 | 496546.50 | ||
| GLUCONIC ACID (M-H)- | 326094.50 | 212683.67 | - | 274832.00 | 147090.00 | 190670.03 | 213953.90 | 138379.12 | 164936.65 | 193293.50 | 107668.67 | 151777.40 | 343241.40 | 78113.60 | 270563.33 | 167037.00 | ||
| GLUCOSE (M+Cl)- | 285264.50 | 396409.33 | 6371.00 | 206534.50 | 25679.00 | 175280.47 | 218862.83 | 153183.41 | 168383.75 | 217047.00 | 49151.17 | 192907.29 | 276477.50 | 113790.40 | 419968.67 | 228767.50 | ||
| GLUCURONIC ACID (M-H)- | 24615.50 | 38808.50 | 6117.00 | 23676.00 | - | 25995.68 | 27595.35 | 22754.83 | 23255.96 | 65883.50 | 17002.67 | 17519.29 | 53020.33 | 15858.60 | 21739.17 | 44446.00 | ||
| HIPPURIC ACID (M-H)- | 33545421.50 | 20649224.67 | 37092364.00 | 4956010.50 | 22256266.00 | 17335800.66 | 28726031.74 | 21347504.98 | 28286949.19 | 13662609.00 | 46780685.50 | 45288117.57 | 13762432.33 | 43545705.17 | 37378745.80 | 58280927.00 | ||
| HYODEOXYCHOLIC ACID (M-H)- | 4790631.00 | 3085066.33 | 4016690.00 | 11271631.50 | 3748302.00 | 4364897.03 | 4004144.42 | 3958092.40 | 4703353.60 | 4525357.50 | 2832341.33 | 5053303.57 | 3965587.71 | 4126971.33 | 3222496.83 | 2288910.00 | ||
| ISOLEUCINE (M-H)- | 60376.50 | 77784.00 | 107347.00 | 105123.50 | 38643.00 | 81636.83 | 84434.75 | 81856.33 | 84844.38 | 112301.00 | 65663.17 | 48158.17 | 65274.71 | 80891.00 | 80873.33 | 55902.00 | ||
| ITACONIC ACID (M-H)- | 13133.00 | 2189.50 | 217193.00 | 12786.00 | - | 132680.62 | 118571.42 | 165303.89 | 105044.42 | 92879.00 | 137880.50 | 323019.80 | 103834.40 | 161033.00 | 105681.67 | 20460.00 | ||
| L-HISTIDINE (M-H)- | 345046.50 | 400348.33 | 276245.00 | 150362.50 | 13090.00 | 330548.55 | 319591.83 | 286227.31 | 303904.03 | 757679.00 | 137884.80 | 273504.33 | 180707.71 | 355427.00 | 479919.83 | 412650.00 | ||
| LINOLEIC ACID (M-H)- | 9076.00 | 18493.67 | 23314.00 | 74475.50 | 17043.00 | 130595.23 | 28551.80 | 26335.06 | 33667.33 | 22327.50 | 40172.00 | 24356.43 | 621398.14 | 38115.83 | 29300.50 | 235290.00 | ||
| METHYLMALONIC ACID (M-H)- | 224620.00 | 197183.33 | 921972.00 | 229726.00 | 53423.00 | 245787.66 | 218796.38 | 291016.40 | 260013.42 | 511322.50 | 174607.60 | 251873.33 | 395222.40 | 246726.00 | 187435.33 | 292110.00 | ||
| N-ACETYL-L-LEUCINE (M-H)- | 118511.00 | 508691.33 | 1036532.00 | 174984.50 | 12884.00 | 405879.69 | 337390.52 | 328925.43 | 340536.72 | 538148.00 | 371553.33 | 401115.43 | 573550.80 | 286852.83 | 503100.60 | 187134.00 | ||
| N-ACETYL-L-PHENYLALANINE (M-H)- | 121065.00 | 168296.00 | 122671.00 | 66069.50 | 25340.00 | 152675.76 | 145174.12 | 180965.72 | 161031.52 | 124304.00 | 139441.50 | 173389.86 | 231570.33 | 109540.50 | 148807.83 | 111150.00 | ||
| OLEIC ACID (M-H)- | 21866.00 | 157980.33 | 75023.00 | 205227.00 | 35713.00 | 365063.35 | 77067.66 | 85057.00 | 89594.44 | 51049.50 | 67551.67 | 41229.14 | 1620674.86 | 93896.33 | 90241.67 | 257689.50 | ||
| OXALOACETIC ACID (M-H)-[-H2O] | 306555.50 | 347917.00 | 343284.00 | 369496.00 | 318401.00 | 316742.89 | 311998.15 | 304565.90 | 311540.49 | 336347.00 | 320278.17 | 300891.29 | 288447.29 | 308002.50 | 304804.83 | 361242.00 | ||
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)- | - | 232352.00 | 21900.00 | - | - | 177856.30 | 82209.93 | 152977.31 | 156188.44 | 46570.50 | 29604.40 | 61465.25 | 5167.50 | 205340.00 | 19921.50 | 15275.00 | ||
| PALMITIC ACID (M-H)- | 250550.00 | 369640.67 | 458216.00 | 459245.50 | 318107.00 | 1217097.79 | 421556.05 | 409577.81 | 421218.34 | 386069.50 | 427497.83 | 368028.29 | 3458302.14 | 426695.00 | 562436.00 | 565546.00 | ||
| PALMITOLEIC ACID (M-H)- | 19143.00 | 23875.00 | 43058.00 | 31330.00 | 13968.00 | 60517.66 | 29811.21 | 23842.52 | 33887.92 | 10898.00 | 22723.00 | 20491.00 | 163390.14 | 28035.50 | 25640.00 | 47131.00 | ||
| PANTOTHENIC ACID (M+Cl)- | 25614.50 | 46696.33 | 223409.00 | 14758.00 | 12001.00 | 60681.11 | 70094.10 | 65460.65 | 62006.91 | 61680.00 | 29430.40 | 36390.33 | 80487.20 | 62003.83 | 71030.60 | 6056.00 | ||
| PANTOTHENIC ACID (M-H)- | 499456.50 | 535928.00 | 3997311.00 | 411000.00 | 119390.00 | 836318.76 | 956577.38 | 994718.25 | 866712.53 | 796872.50 | 396605.33 | 663444.86 | 1114975.00 | 859490.67 | 874306.67 | 72608.00 | ||
| PIMELIC ACID (M-H)- | 132646.50 | 186901.50 | 765543.00 | 43693.50 | 132640.00 | 152620.54 | 127118.68 | 113820.95 | 216378.37 | 545346.00 | 216593.67 | 128087.29 | 709564.50 | 196913.33 | 159429.00 | 142308.00 | ||
| SEBACIC ACID (M-H)- | 21989.50 | 113960.33 | 114501.00 | 146388.00 | 3116.00 | 118006.89 | 126082.12 | 113393.00 | 116962.21 | 57683.50 | 42402.75 | 75887.67 | 193503.75 | 154439.50 | 77291.67 | 29728.00 | ||
| STEARIC ACID (M-H)- | 200188.00 | 314842.33 | 374759.00 | 463655.00 | 278983.00 | 437463.50 | 348770.22 | 352912.00 | 355259.37 | 323269.00 | 359977.33 | 287707.57 | 1428087.29 | 385722.00 | 457306.17 | 475199.00 | ||
| SUBERIC ACID (M-H)- | 48095.50 | 93447.33 | 141499.00 | 129546.50 | 132440.00 | 105434.78 | 92529.72 | 124597.34 | 124078.50 | 104038.00 | 170462.33 | 112878.43 | 223737.50 | 207796.33 | 62198.17 | 622975.50 | ||
| SUCCINIC ACID (M-H)- | 2127956.00 | 1184877.00 | 465160.00 | 1346273.50 | 731598.00 | 1668983.58 | 1517346.02 | 1452541.00 | 1397550.90 | 2142196.00 | 1540953.20 | 1027357.14 | 936927.57 | 1834757.17 | 1928194.50 | 364229.00 | ||
| THEOPHYLLINE (M-H)- | 75195.50 | 158557.50 | 174528.00 | 432143.50 | 169594.00 | 414916.93 | 302429.62 | 453612.38 | 458678.98 | 599931.00 | 292258.17 | 633339.71 | 294621.33 | 241921.67 | 603020.80 | 475479.00 | ||
| TRICARBALLYLIC ACID (M-H)- | 63506.50 | 51442.00 | 138749.00 | 95156.50 | 116746.00 | 91675.97 | 77859.77 | 67986.60 | 82324.56 | 77570.00 | 82467.83 | 53318.80 | 61582.33 | 103453.00 | 116007.20 | 103199.00 | ||
| TRYPTOPHAN (M-H)- | 2589356.50 | 1788616.33 | 2567612.00 | 1641962.00 | 929292.00 | 2364849.72 | 2149242.13 | 1996349.59 | 2404342.35 | 2355447.00 | 2598496.50 | 2775434.14 | 1935170.17 | 3054964.83 | 2876501.20 | 1224812.50 | ||
| TYROSINE (M-H)- | 204402.00 | 170542.00 | 111020.00 | 147298.00 | - | 151721.11 | 140138.11 | 136278.64 | 167028.85 | 181482.50 | 146384.00 | 175335.00 | 128802.33 | 247786.50 | 233586.20 | 31826.50 | ||
| XANTHINE (M-H)- | 492723.00 | 825809.33 | 337161.00 | 857595.00 | 947580.00 | 460845.78 | 485096.19 | 515609.22 | 489317.20 | 512748.50 | 563098.50 | 396141.43 | 434381.57 | 730813.33 | 456311.67 | 291761.50 | ||
| XANTHOSINE (M-H)- | 561476.50 | 289959.00 | 113737.00 | 17216.50 | - | 160179.62 | 160899.36 | 143038.59 | 157082.76 | 172559.00 | 106919.33 | 114476.67 | 32065.75 | 172367.40 | 95426.20 | 393487.00 | ||
| XANTHURENIC ACID (M-H)- | 219562.00 | 432489.00 | 532463.00 | - | 138127.00 | 386915.46 | 203069.88 | 306023.36 | 427043.20 | 192088.00 | 98233.00 | 141284.86 | 244914.40 | 156372.50 | 151749.80 | 80009.00 |
Factors:
| F1 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:NA | Parity:nulliparous | Preterm:term |
| F2 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:NA | Parity:parous | Preterm:term |
| F3 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:preterm |
| F4 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:No | Parity:parous | Preterm:preterm |
| F5 | Alcohol use in pregnancy:NA | Smoking status in pregnancy:No | Parity:parous | Preterm:term |
| F6 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:preterm |
| F7 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:term |
| F8 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:parous | Preterm:preterm |
| F9 | Alcohol use in pregnancy:No | Smoking status in pregnancy:No | Parity:parous | Preterm:term |
| F10 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:nulliparous | Preterm:preterm |
| F11 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:nulliparous | Preterm:term |
| F12 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:parous | Preterm:preterm |
| F13 | Alcohol use in pregnancy:No | Smoking status in pregnancy:Yes | Parity:parous | Preterm:term |
| F14 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:No | Parity:nulliparous | Preterm:term |
| F15 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:No | Parity:parous | Preterm:term |
| F16 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:Yes | Parity:nulliparous | Preterm:term |
| F17 | Alcohol use in pregnancy:Yes | Smoking status in pregnancy:Yes | Parity:parous | Preterm:term |
