metabolite_name 413741_001 413742_002 413745_003 428689_004 428693_005 433002_006 185262_007 115900_008 115996_009 138110_010 138120_011 190701_012 143866_013 143867_014 143869_015 144064_016 123951_017 123953_018 487464_019 487461_020 493977_021 506107_022 435798_023 487667_024 204770_025 204771_026 215989_027 216077_028 216079_029 216080_030 212477_031 212480_032 213386_033 225109_034 225110_035 225111_036 233525_037 257443_038 257445_039 222899_040 224106_041 224107_042 43709_043 43711_044 43712_045 40393_046 40494_047 40495_048 129283_049 129285_050 129286_051 122070_052 125374_053 125375_054 92293_055 92294_056 97201_057 92481_058 92495_059 92497_060 180956_061 180957_062 180958_063 181061_064 190365_065 190372_066 172417_067 285069_068 285072_069 129860_070 129866_071 129869_072 356157_073 356268_074 356272_075 356371_076 356475_077 356477_078 243278_079 243279_080 253688_081 243382_082 253789_083 253791_084 420424_085 429932_086 429948_087 410985_088 430037_089 432863_090 38276_091 40681_092 40683_093 38379_094 40790_095 40793_096 72465_097 85374_098 85376_099 111495_100 118598_101 118599_102 302576_103 302577_104 303981_105 294366_106 296769_107 296770_108 206923_109 206925_110 209532_111 206819_112 217741_113 217742_114 230187_115 230188_116 244901_117 230295_118 253313_119 253314_120 296500_121 296501_122 296503_123 254467_124 254468_125 254470_126 424983_127 424984_128 427987_129 428092_130 447115_131 447116_132 215489_133 215490_134 215491_135 221098_136 230007_137 230010_138 448910_139 448913_140 448924_141 493894_142 493806_143 508035_144 244183_145 257899_146 257807_147 244289_148 218139_149 218142_150 345319_151 345321_152 345323_153 328195_154 328199_155 349944_156 366627_157 349640_158 349643_159 349745_160 349748_161 349774_162 487174_163 511373_164 511380_165 487277_166 496303_167 496304_168 237811_169 237812_170 206458_171 248921_172 249730_173 249731_174 69286_175 69290_176 73696_177 55771_178 55774_179 55776_180 34419_181 38434_182 38538_183 38541_184 69395_185 91834_186 115757_187 115864_188 55857_189 69499_190 144610_191 187595_192 198313_193 144713_194 170956_195 198416_196 209137_197 229587_198 237610_199 257540_200 281970_201 209241_202 220170_203 229695_204 237716_205 257643_206 307710_207 348926_208 365959_209 296904_210 319741_211 349029_212 410683_213 441144_214 483044_215 417795_216 432639_217 448374_218 510073_219 496096_220 cortisol 3.16 3.13 3.06 3.1 3.12 3.15 3.05 3.07 3.14 3.07 3.12 3.09 3.13 3.07 3.05 3.16 3.12 3.06 3.12 3.1 3.1 3.09 3.11 3.08 3.13 3.21 3.17 3.08 3.19 3.11 3.07 3.11 3.12 3.1 3.18 3.08 3.08 3.42 3.17 3.05 3.16 3.17 3.08 3.11 3.09 3.11 3.25 3.16 3.14 3.1 3.16 3.21 3.26 3.22 3.18 3.39 3.08 3.19 3.14 3.16 3.13 3.11 3.23 3.19 3.13 3.08 3.28 3.07 3.08 3.16 3.06 17a-Hydroxyprogesterone cortisone 0.71 0.7 0.71 0.7 0.71 0.71 0.7 0.7 0.7 0.7 0.7 0.7 0.71 0.7 0.71 0.71 0.7 0.7 corticosterone 15.13 64.01 21.85 84.72 69.38 185.78 19.25 182.84 28.01 271.86 502.23 300.46 307.14 159.6 102.21 155.72 774.24 190.42 797.67 7.36 132.48 474.72 409.96 787.5 22.23 65.82 41.54 143.38 452.85 827.05 104.39 102.91 130.17 631.57 323.72 452.96 35.49 48.82 37.67 323.84 193.31 608.44 179.61 22.55 72.12 82.5 14.94 167.21 63.97 9.26 307.27 301.51 22.05 533.5 32.44 70.14 115.13 243.36 117.27 154.38 76.01 86.11 225.52 181.01 39.74 228.21 74.05 58.8 279.81 49.49 203.23 270.6 20.17 106.97 11.77 472.51 860.61 5.3 227.9 86.88 87.35 50.73 9.54 321.49 256.12 28.68 134.33 216.5 191.55 43.11 131.18 93.28 7.98 210.66 77.78 778.29 123.63 17.6 47 49.81 11.11 231.81 69.18 52.05 113.05 98.97 28.64 4.33 9.56 132.56 8.61 25.9 39.1 573.55 111.59 233.04 0.89 294.92 514.99 59.44 0.6 361.88 358.61 32.52 440.57 37.84 17.67 61.76 65.71 92.62 252.36 108.59 165.34 181.51 164.91 1257.96 121.18 31.75 55.48 67.81 106.55 283.49 186.79 582.71 218.2 1.27 40.15 573.51 180.74 66.12 21.27 557.98 352.52 27.21 108.95 1005.51 178.11 31.15 372.1 47.5 173.52 260.03 166.44 23.25 96.6 110.58 237.8 287.25 434.31 17.01 37.4 16.08 71.72 279.22 320.85 246.71 40.72 774.5 112.74 294.57 126.34 233.91 99.61 97.39 97.71 233.25 8.88 115.69 73.59 111.26 71.29 8.85 16.02 19.03 854.48 114.15 6.89 25.16 16.28 288.28 369.25 133.89 166.34 150.85 265.27 60.05 20.04 283.95 47.09 140.66 67.74 87.3 9.77 8.64 95.65 1107.09 58.93 47.88 161.52 925.43 progesterone 0.55 0.87 3.54 5.77 1.24 1.1 0.59 0.76 6.09 4.57 2.3 0.81 1.69 1.8 2.88 3.43 0.78 1.01 0.89 0.75 0.74 0.59 3.42 0.72 1.21 3.2 2.84 4.37 0.62 5.93 1.59 0.62 1.34 0.99 1.06 0.67 3.75 0.99 0.9 0.62 3.06 1.1 1.13 1.29 3.32 0.98 2.45 1.18 1.33 1.32 1.04 0.92 2.23 0.72 0.88 1.51 1.66 2.13 23.87 0.57 1.23 3.97 6.52 1.44 0.95 6.7 3.9 0.94 0.51 1.26 0.64 1.71 4.38 3.43 0.58 1.45 37.67 0.56 0.52 0.51 0.56 0.81 0.55 0.81 1.79 5.72 5.58 0.68 0.64 1.62 2.73 1.14 3.77 3.9 5 1.02 1.54 0.72 2.34 2.63 1.8 0.66 1.98 3.44 0.83 1.1 0.75 2.63 0.9 1.29 3.12 2.26 0.98 0.83 0.51 0.5 0.7 0.7 1.91 1.64 0.94 0.61 0.59 0.73 2.48 2.23 3.43 0.58 0.74 0.89 1.29 7.85 1.92 2.41 0.95 2.49 0.86 0.78 1.02 3.57 allo-pregnanolone cortexolone beta-pregnanolone 16.19 19.92 15.56 23.51 17.02 10.08 24.13 10.69 testosterone 0.65 56.33 17.96 27.86 15.8 48.16 5.21 3.03 2.06 4.63 5.1 0.65 1.14 4.72 0.83 16.59 1.43 1.4 34.97 1.54 2.42 3.69 1.1 0.96 1.3 1.35 18.7 1.13 0.87 46 0.85 0.7 0.96 64.63 0.65 8.28 2.29 2.08 1.69 1.29 2.07 3.74 4.25 0.96 0.64 26.81 5.55 2.11 12.39 0.8 0.85 5.08 0.87 0.58 1.31 2.22 3.17 1.26 0.66 2.86 1.23 1.31 1.61 0.57 1.67 0.83 10.95 1.64 6.9 dehydroepiandrosterone sulfate 1808.66 2241.82 2418.24 2287.04 2100.93 673.83 1411.82 4392.19 691.97 133.43 382.3 587.4 1268.51 1019.07 802.77 865.93 1459.52 1800.21 2150.93 1340.66 737.61 991.78 646.47 cortexone 0.53 1 1.49 6.93 1.68 18.52 27.45 18.43 9.98 6.83 50.54 35.41 11.37 18.17 12.9 26.93 1.77 1.16 6.81 22.36 70.75 1.41 51.6 32.15 31.33 0.8 22.96 7.52 20.83 1.89 11.56 12.05 23.47 1.25 2.81 3.09 4.27 4.24 9.84 12.54 0.6 13.39 0.68 9.98 0.59 6.02 4.91 39.98 14.22 7.37 2.51 3 1.15 13.31 11.23 3.28 82.54 6.18 0.51 8.88 0.97 5.44 0.79 6.77 5.8 25.56 5.86 22.06 11.97 1.38 2.6 13.72 7.09 9.7 3.49 96.52 18.82 23.79 17.92 10.31 10.4 1.39 2.48 45.09 5.4 1.11 20.17 26.85 3.42 3.54 14.15 19.36 13.69 0.57 4.64 18.6 7.04 33.78 10.17 1.76 6.11 7.16 5.18 4.35 2.89 7.06 3.5 19.9 0.92 13.15 7.47 7.98 9.17 4.5 19.87 1.39 5.87 2.74 66.99 10.63 40.01 cortisol sulfate 35.88 androstenedione dehydroepiandrosterone 10.12 16.67 14.84 19.99 dihydrotestosterone 5.53 aldosterone 6.9 7.16 7.21 6.88 6.1 17-OH pregnenolone 231.69 165.01 182.97 173.46 248.39 219.95 272.29 492.54 210.08 153.39 218.8 236.85 118.88 150.93 163.9 137.38 200.84 385.69 220.82 117.1 221.82 276.24 261.13 188.44 148.25 191.16 206.18 323.88 112.31 236.46 101.89 225.5 267.17 221.49 226.1 226.28 20-hydroxyprogesterone 7.28 8.03 9.98 7.35 13.42 5.77 5.69 8 7.5 6.97 6.35 6.48 11.82 6.68 11.5 5.81 6.29 6.43 6.45 5.75 6.16 12.19 12.46 12.72 13.19 5.83 2-methoxyestradiol 0.59 0.7 0.59 0.58 0.66 0.5 0.92 1.56 0.59 0.56 1.23 1.29 0.67 0.99 1.27 0.53 0.74 0.63 androstanediol 6.3 6.58 6.14 19.79 11.55 21.55 6.01 6.14 8.59 5.01 5.72 6.82 5.76 7.24 5.89 6.26 7.63 6.76 74.72 7.67 5.05 21.89 6.98 5.02 5.67 12 7.91 8.78 5.98 8.43 9.88 8.25 androstenediol 13.41 5.1 cis-androsterone dihydroprogesterone 27.62 37.77 31.61 estrone 18.76 11.82 11.03 16.08 14.36 13.42 11.81 7.9 12.93 6.01 13.47 11.13 9.36 12.17 12.39 11.54 23.94 10.5 estradiol 0.51 2.22 1.49 0.55 0.84 0.53 0.54 estriol etiocholanolone 52.69 50.9 56.37 52.13 51.22 pregnenolone 12.55 11.42 12.19 10.99 10.02 18.23 10.65 31.3 11.05 16.97 14.18 10.88 11.87 12.4 12.31 10.39 11.58 29.94 11.44 24.7 15.59 17.19 42.28 22.31 12.36 13.63 17.94 10.49 13.6 trans-androsterone 5.19 testosterone glucuronide Taurodehydrocholate 7.43 6.76 7.48 11.4 7.87 7.44 8.66 8.03 7.45 7.37 7.87 7.88 6.93 8.96 8.25 7.44 7.52 10.27 6.81 6.03 7.22 7.66 8.65 8.53 8.01 8.59 7.71 7.78 8.2 9.33 Tauro-?-Muricholic acid 139.58 325.48 58.97 110 318.48 115.02 362.64 79.94 149.59 218.9 343.97 621.52 129.24 155.78 86.29 296.2 230.48 174.7 20790.13 166.34 246.94 447.59 331.06 110.51 78.28 124.4 289.98 482.28 439.63 62.42 247.76 50.98 151.21 159.83 82.37 127.77 51.88 50.41 171.1 264.88 193.82 198.54 152.21 209.41 401.81 337.28 282.81 116.42 205.08 185.53 107.55 272.81 310.86 251.27 48.04 89.56 459.8 448.67 310.84 112.47 75.04 161.14 248.03 413.56 355.5 118.95 73.81 93.41 389.52 498.54 192.3 75.9 124.63 27038.25 203.9 268.27 74.73 29707.44 59.97 507.61 13187.14 287.45 103.6 73.98 113.72 80.34 181.32 157.51 27.55 156.72 8657.59 158.46 339.5 507.14 62.71 308.26 165.5 297.9 225.28 242.15 32852.6 36.04 239.29 191.79 133.31 97.97 93.56 35.53 136.87 109.48 147.5 152.03 60.96 9464.96 198.79 127.27 118.59 154.66 88.89 220.72 600.44 194.04 60.3 46.4 73.28 224.4 398.66 302.47 147.12 91.96 187.47 295.14 205.27 303.41 118.43 81.63 159.81 211.06 213.98 250.57 102.67 12330.03 263.03 286.83 266.82 170.99 80.24 127.64 149.73 22885.71 75.03 183.85 121.57 394.32 257.65 118.42 89.67 221.9 126 14579.94 184.22 288.44 157.74 144.87 88 323.25 486.01 203.25 182.6 76.33 99.13 329.25 700.39 777.78 338.02 372.65 295.09 142.92 383.78 101.44 474.14 612.06 372.93 75.44 217.29 179.57 505.71 157.56 502.61 74.98 79.88 223.09 17291 148.32 226.41 389.09 464.21 214.34 630 151.62 382.07 145.36 457.5 197.87 345.21 185.39 206.52 224.51 418.18 255.22 326.41 Tauro-a-Muricholic acid 15.42 21.07 5.15 13.07 42.4 13.06 48.25 3.83 6.75 31.06 13.56 235.91 9.64 22.92 9.39 15.54 4.48 20.66 1066.77 14.93 9.36 9.46 6.95 18.42 7.18 7.78 32.85 40.26 39.65 13.36 10.57 16.17 27.43 40.58 22.49 40.95 6.9 4.8 15.99 21.48 84.22 17.85 15.44 29.04 65.15 32.13 29.01 12.13 5.64 5.86 78.59 17.72 35.03 3.91 53.54 9.5 28.45 37.43 12.6 11.58 18.52 28.53 63.88 11.41 13.53 16.14 16.73 3.25 20.39 7.38 12.08 12.11 14117.26 8.93 38.49 6.2 11780.55 11.17 40.99 5296.97 40.33 2.7 8.92 7.84 9.84 63.66 8.02 2.21 4.66 2677.28 20 54.82 49.63 8.86 58.68 14.28 22.67 40.88 3.57 11539.09 2.69 114.2 47.67 16.05 14.92 1.95 4.52 31.21 34.6 61.73 66.98 5.18 2800.85 16.13 17.37 18.61 8.21 4.29 31.98 14.1 9.67 4.77 6.96 28.22 11.03 33.94 3.6 2.58 31.61 13.94 41.87 72.11 22.14 10.91 13.9 66.07 24.55 10.67 12.31 3408.96 40.5 79.06 19.16 8.78 4.7 15.61 19.13 5146.76 8.96 47.46 3.12 15.7 49.2 19.93 2.28 8.79 14.58 1400.8 18.94 24.07 3.82 17.25 9.04 35.25 70.65 21.44 3.39 8.41 17.5 61.97 17.73 4.44 21.24 15.12 35.81 37.33 3.83 36.63 25.38 63.26 6.35 18.81 9.52 38.17 1.44 120.44 4.13 4.52 45.79 1586.71 85.5 4.79 45.62 51.06 23.84 44.63 17.86 50.32 5.46 37.5 36.72 44.11 21.31 6.85 38.69 37.26 6.01 36.74 Tauro-ß-Muricholic acid 10.86 63.11 10.96 22.36 57.53 23.78 46.24 17.41 20.18 66.31 40.07 388.09 25.32 24.61 19.39 58.09 76.97 48.16 10271.22 45.52 47.46 41.88 48.94 25.09 17.16 12.92 82.72 119.7 109.25 26.46 34.04 27.89 83.06 66.81 31.91 89.22 11.25 9.92 22.13 128.09 104.82 34.21 20.42 57.06 95.01 60.49 51.21 23.46 26.83 33.31 23.83 118.5 52.24 50.97 11.87 13.78 34.2 41.55 54.07 28.19 24.07 18.74 76.64 103.52 86.71 20 21.08 40.88 19.92 56.25 32.32 32.11 41.46 54068.09 53.26 61.34 17.52 25640.5 25.42 117.97 12152.32 53.85 11.65 16.26 20.92 20.4 65.88 33.24 10.13 18.71 9091.45 32.9 95.1 65.88 18.01 81.8 34.21 40.54 42.5 18.57 21578.16 8.55 105.99 52.81 39.25 14.93 10.67 9.66 63.69 40.2 84.46 78.97 13.55 9249.75 21.91 26.91 41.2 19.58 27.47 40.17 42.6 28.49 12.77 4.75 12.28 30.01 33.02 46.9 26.09 7.45 48.58 113.44 38.11 54.48 19.94 17.41 61.86 52.06 18.31 38.34 19.67 10607.45 54.47 93.28 22.83 13.85 22.54 31.45 38.68 18001.5 9.95 114.52 13.49 38.39 31.65 36.07 15.85 31.4 22.12 10748.51 22.5 38.23 10.83 18.72 16.92 53.44 172.35 28.99 21.35 5.64 19.44 104.13 120.28 110.2 48.68 35.32 21.85 53.24 65.96 12.62 42.35 117.75 89.61 11.62 37.04 13.81 39.01 13.83 92.87 9.75 11.55 35.61 12497.1 9.75 18.58 76.8 87.9 31.73 85.35 36.82 195.22 14.77 37.53 44.45 63.23 50.03 133.3 78.19 35.14 15.9 124.98 Tauroursodeoxycholic acid 29.55 18.71 59.23 101.99 27.46 18.44 40.9 143.64 20.9 39.36 28.67 24.55 31.73 51.86 261.13 207.04 38.39 16.21 8.39 35.01 1.76 43.19 50.95 53.16 96.15 59.3 42.44 17.86 20.69 61.41 42.44 17.22 53.51 35.36 31.18 123.75 37.7 19.5 15.86 18.36 4156.31 47.88 2525.31 19.45 2400.3 40.83 16.71 31.35 58.83 20.42 13.57 3.58 1073.31 59.03 77.62 28.77 70.24 25.03 40.77 58.19 1587.24 77.46 61.86 35.51 28.69 19.18 45.21 55.39 54.22 38.23 2751.22 37.35 29.04 48.86 23.86 18.66 63.69 42.78 68.22 112.89 39.13 19.08 64.91 24.18 1190 50.93 55.39 52.58 25.27 30.91 11.89 33.85 37.7 23.79 47.81 69.77 19.81 19.95 72.34 40.15 15.16 101.42 67.87 65.63 16 211.81 100.36 34.44 42.84 44.94 103.33 119.11 22.99 11.37 118.92 244.84 221.64 159.16 57.39 25.26 95.65 95.33 32.14 58.92 136.87 Taurocholic acid 116.07 548.85 71.58 195.04 525.63 146.32 295.25 179.32 80.25 323.6 557.84 2007.97 200.5 285.96 74.85 372.69 579.36 215.72 48565.11 211.57 375.3 273.21 715.87 206.95 116.94 148.01 653.06 1079.54 861.71 109.72 120.49 140.17 316.51 418.95 208.19 402.52 88.84 32.64 124.69 499.98 212.1 190.1 250.05 419.29 543.47 249.99 132.45 63.1 140.46 68.14 370.54 469.26 331.14 58.11 153.16 232.58 457.48 512.48 144.6 81.08 149.08 306.35 708.47 306.73 164.55 106.89 310.55 314.24 513.34 488.88 125.86 107.81 86728.14 213.53 150.87 69638.48 91.85 754.99 47341.87 175.98 154.29 92.2 259.55 183.55 474.71 123.75 27.53 263.4 47967.51 337.56 520.97 557.97 106.4 655.26 143.59 213.24 328.49 200.91 45834.06 60.27 767.49 332.78 129.95 153.9 208.62 52.55 521.74 388.9 574.53 531.52 126.8 35477.81 570.26 143.56 250.6 192.45 306.24 294.5 684.6 315.23 56.44 91.29 65.71 226.15 299.91 220.31 68.3 65.91 321.71 376.95 345.74 536.3 209.7 127.2 305.03 514.32 205.97 228.04 158.79 41369.76 342.58 501.92 142.75 371.4 138.52 170.69 175.53 73576.7 64.59 536.53 258.69 769.77 609.93 253.41 152.11 234.35 102.65 29086.73 247.71 487.44 103.33 83.16 101.14 282.8 969.8 240.53 151.83 156.83 73.13 1125.8 484.45 438.93 261.96 422.37 116.84 326.64 360.61 25.92 266.48 963.57 432.69 75.63 88.5 63.14 241.89 147.53 604.62 47.78 22.94 391.16 17653.61 274.56 184.88 801.36 565.91 261.26 1438.17 109.19 951.43 59.19 462.71 336.27 301.89 186.57 507.11 468 724.69 208.94 982.68 ?-Muricholic acid 5.13 2.96 10.8 10.22 6.57 5.74 7.89 45.14 3.33 937.86 4.1 1.73 419.61 6.09 2.92 3.41 15.13 11.94 4.08 10.5 11.61 10.61 13.17 2.2 3.29 12.01 24.85 14.79 4.76 5.41 12.89 7.49 10.85 3.27 1.89 1.96 21.26 7.93 2.6 656.86 9.35 3.47 3.27 13.08 22.09 3.14 4.61 5.41 3273.68 9.97 2.83 4.05 4963.36 11.2 6261.93 2693.99 5.76 1804.93 8.98 3.01 8.12 17.67 6.5 1.46 939.86 6.4 20.29 4.73 14.88 3.02 4.7 10.93 28.8 1968.81 19.11 17.95 9.52 4.54 380.55 4.55 6.38 17.38 16.08 10.24 2146.64 10.73 8.91 1.19 2.85 2.29 5.46 20.48 12.15 19.44 6.47 3.98 336.54 15.93 5.75 1038.26 7.11 13.19 7.56 7.07 3.27 10.69 25.41 13.04 7.18 6.7 7.54 5.2 5.69 12.81 6.41 1783.74 2.58 10.48 25068.63 4.75 7.97 11.31 2.52 9.8 15.54 3.88 9.07 3.91 9.26 631.93 23.47 4.81 3.9 6.37 1562.86 24447.37 7.81 9.89 7.12 4.93 18.52 3.34 13.01 9.94 6.85 1019.84 10.59 6.44 Glycoursodeoxycholic acid 53.61 16.95 23.88 170.3 78.27 232.05 295.62 6.5 234.08 570.22 11.64 230.64 40.99 125.52 149.33 96.46 42.79 252.29 1242.49 20.47 117.5 14.13 100.33 16.16 31.07 78.79 13.11 22.99 15.73 43.67 100.11 123.86 46.44 23.09 200.55 87.48 120.01 85.7 89.93 63.46 25.17 97.1 136.31 137.69 100.24 686.55 38.11 301.63 273.14 332.09 30.28 410.97 477.31 34.94 262.21 51.93 30.33 119.49 46.4 116.04 112.43 196.22 62.41 115.38 120.75 132.14 353.18 128.51 8.22 19.66 204.97 8.11 162.76 231.5 2866.98 24.56 527.26 14.99 4845.85 261.74 44.07 4764.64 1141.73 8.69 80.14 12.88 68.8 93.97 52.05 65.1 11.81 2819.39 107.1 364.32 68.16 38.97 275.79 281.23 381.55 252.04 207.24 14.48 998.22 5.56 173.23 305.18 155.32 49.37 3.09 59.14 75.44 94.28 36.61 36.52 27.08 22.49 649.82 4.67 230.06 18.46 35.19 7.1 82.64 55.05 55.07 74.71 6.7 61.02 171.07 132.59 298.12 34.79 64.54 35.39 166.29 154.44 77.92 150.39 158.63 17.38 13.19 221.67 61.04 193.2 82.94 1824.69 40.55 35.33 109.82 259.32 28.4 8.74 139.28 297.26 329.01 16.05 91.96 16.61 27.61 87.41 184.46 2.06 23.54 59.62 134.42 242.85 57.83 63.27 265.18 53.78 221.64 20.16 133.72 23.12 7.18 75.85 89.73 1854.26 297.56 36.57 76.92 1105.45 656.55 190.53 255 141.33 1725.75 14.94 542.83 68.52 640.51 119.52 527.52 6.12 218.86 105.66 63.33 190.24 163.9 10.24 26.35 113.78 582.07 73.45 28.19 106.72 21.18 123.11 44.91 219.32 169.99 13.44 3.76 22.48 12.74 60.97 104.42 5.42 10.9 Glycohyodeoxycholic acid 4.61 3.47 2.15 2.53 2.05 1.91 a-Muricholic acid 1.13 1.39 2.19 2.86 1.15 1.13 1.02 1.05 1 Glycocholic acid 2.26 1.96 3.73 2.66 11.19 21.98 4.53 9.21 3.25 1.29 1.21 6.98 6.34 6.89 2.77 5.26 2.18 3.81 14.32 5.73 2.63 1.44 12.45 2.54 11.36 2.51 1.03 11.09 1.1 1.42 5.08 1.93 477.43 14.71 532.03 2.16 244.74 3.18 3.46 4.84 107.62 8.06 9.65 7.81 1.92 5.07 6.76 195.71 12.61 8.61 3.36 1.31 6.2 2.56 2.84 3.87 200.43 2.77 3.16 4.46 15.86 3.17 5.06 2.23 9.45 3.21 183.04 3.87 9.55 3.81 6.23 9.12 8.11 2.33 8.64 1.82 3.64 5.94 4.75 1.75 1.11 5.84 5.46 19.77 3.09 5.03 12.54 10.98 2.05 1.01 7.1 10.2 4.59 3.17 5.68 12.88 1.14 1.01 5.31 7.93 3.47 10.38 ß-Muricholic acid 163.2 1.38 24.22 135.31 89.15 249.14 12.48 15.72 591.72 15.11 7.71 7.89 17.12 44.43 509.28 8.05 1.22 5.55 122.43 70.44 49.55 5.66 87.16 4.66 199.18 89.74 133.12 87.59 84.85 67.5 5.26 22.41 6.3 25.52 20.55 159.6 1.13 41.95 40.01 23.72 2.21 428.43 141.89 3.46 35.07 55.83 8.47 8.55 1.74 18.07 118.79 25.41 4.32 5.25 118.69 30.56 134.53 3.09 10.22 152.56 242.15 3375.25 4.19 57.62 4.73 3210.96 261.29 1.92 3288.68 121.68 1.11 28.18 72.7 92.98 63.29 3.51 866.74 12.37 54.02 6.43 40.2 293.7 18.66 19.04 14.06 1.58 559.6 26.27 274.92 109.91 82.29 57.97 80.68 64.49 87.86 6.04 3.51 708.46 9.88 78.02 4.17 71.58 4.21 67.39 77.95 4.75 205.68 5.44 3.18 2.22 37.21 12.83 84.53 16.65 10.4 28.71 2.08 13.83 76.85 409.27 2.96 80.36 102.41 2.57 144.06 291.45 192.84 40.12 5 3.63 197.76 75.01 71.51 242.53 58.56 7.02 34.36 60.55 221.97 1.95 58.63 1.21 5.13 24.28 121.04 25.78 3.4 10.19 1134.75 42.12 25.4 140.01 1769.81 556.27 72.16 89.77 43.64 31.96 20.06 109.91 73.92 19.52 180.28 1.57 53.4 595.72 1.36 1.2 12.73 1.74 126.05 2.87 236.23 7.79 1.46 69.52 34.19 3.33 Taurochenodeoxycholic acid 35.92 140.89 18.91 49.67 61.33 40.28 152.03 6.82 21.25 43.62 94.76 161.69 101.46 221.81 35.77 310.54 13.66 124.01 1001.15 52.67 21.82 27.66 28.47 48.16 287.91 236.53 20.47 60.5 30.25 52.74 82.73 47.37 41.04 18.35 15.15 17.91 46.3 63.05 73.05 49.97 58.04 110.51 219.29 83.35 58.73 37.63 13.36 39.69 69.73 40.11 21.92 134.05 70.65 38.81 33.63 87.96 83.67 121.38 87.37 45.18 22.62 37.49 349.09 17.74 29.99 23.42 2329.47 14.54 56.63 53.74 2569.9 28.58 140.54 2085.86 40.03 3.97 26.68 115.37 65.79 68.17 17.88 19.64 18.99 1230 87.55 78.63 138.03 19.25 72.51 26.87 43.29 57.04 19 610.72 31.44 118.34 61.78 35.39 31.94 1.09 19.2 89.25 52.69 60.94 103.1 51.46 2085.17 32.47 36.94 140.99 61.64 110.63 31.54 22.2 62.92 19.51 26.22 140.91 49.44 45.11 37.58 67.94 24.81 90.27 99.42 97.81 17.57 448.36 42.97 47.51 53.11 31.4 33.46 65.33 3516.08 16.63 49.55 43.35 222.58 63.75 71.29 26.87 5024.11 36.33 61.7 19.45 9.97 64.97 48.51 22.48 10.23 25.12 7.06 84.08 173.34 39.81 253.48 37.41 110.69 311.91 6.77 106.68 70.64 79.07 14.77 15.89 15.62 76.93 21.49 48 16.23 4.57 81.43 221.09 64.97 73.23 113.27 51.66 102.36 14.52 68.5 7 48.25 47.04 17.58 4.73 61.23 89.23 82.57 Taurodeoxycholic acid 50.23 48.38 1.82 74.32 3.2 6.4 299.35 51.09 509.66 44.91 10.18 198.5 103.1 116.93 263.2 114.77 178.32 366.13 3795.2 340.52 82.74 98.7 18.35 52.45 8 8.4 46.89 11.22 41.57 330.62 139.81 219.9 77.46 24.46 18.22 408.52 3.92 7.09 4.42 78.7 83.91 52.55 129.11 60.96 614.29 11.72 327.86 632.66 510.37 121.84 11.43 796.06 62.8 907.35 3.02 103.87 68.36 23.08 100.91 13.77 390.73 77.89 179.12 7.75 144.31 403.82 18.93 70.78 28.08 240.67 8.56 17.24 26.52 13815.88 82.06 680.5 180.05 25297.87 50.59 42.35 17892.09 1117.3 34.28 103.68 19.61 2.65 141.3 78.73 3.54 51.88 10742.26 142.44 414.83 61.16 3.13 16.09 398.48 285.19 399.38 246.8 50.02 3798.73 6.88 275.27 23.86 242.94 106.62 21.44 3.25 2.33 76.18 53.83 84.3 46.25 205.43 6.27 127.6 113.13 71.18 100.24 38.39 36.33 213.86 22.12 8.41 65.85 108.48 389.27 121.73 31.4 35.1 515.01 187.51 20.54 237.19 263.92 42.35 406.46 37.9 176.93 4.33 7916.61 19.3 200.54 231.05 32.46 14.05 13.23 27.73 1003.66 17.56 223.53 55.84 33.87 29.8 17.93 24.17 47.04 139.5 743.55 18.03 2.14 129.14 337.57 4.64 465.77 38.75 113.24 47.37 12.91 201.6 119.56 1204.04 297.4 136.74 78.23 41.81 168.27 473.45 144.71 8.43 125.78 10.49 54.71 3.54 521.46 50.11 220.12 2.48 124.36 5.45 6.34 111.11 1078.29 29.94 14.33 43.03 20.03 12.34 19.21 172.18 26.87 12.51 26.71 27.79 102.73 26.77 148.01 117.01 24.12 49.55 Cholic acid 63.74 88.28 38.86 74.92 16.05 126.12 238.39 44.82 286.42 961.52 15.19 377.21 227.13 208.45 291.51 165.51 204.02 352.54 6118.88 73.51 147.71 88.07 176.08 12.55 44.12 236.81 10.13 32.29 8.83 31.99 185.18 81.67 534.72 150.94 830.76 585.97 294.58 161.09 140.88 52.75 235.75 96.51 124.93 283.03 56.33 2167.28 10.25 425.56 594.78 240.8 65.48 263.53 1573.9 94.64 549.82 38.28 171.35 129.9 53.53 432.47 283.27 438.16 109.98 132.39 122.78 151.33 606.2 444.7 118.81 22.41 330.28 19.28 331.63 147068.45 415.52 48541.07 201.5 1074.34 119.35 41432.57 1021.58 88.06 47327.45 1046.54 70.36 155.73 26.63 118.38 267.18 26.33 54.15 64.37 11287.86 250.77 532.67 143.92 45.21 344.27 302.15 506.75 374.79 463.11 69.84 7448.79 6.69 387.6 459.21 229.37 110.54 21.32 54.74 22.77 58.77 17.79 95.73 82.6 61.11 2279.01 13.2 84.26 14.52 83.78 48.15 111.11 62.21 46.51 71.37 11.14 190.86 90.15 121.58 591.77 74.07 46.07 62.69 656.33 213.35 19.35 275.41 310.13 12.11 45.23 561.03 38.3 259.46 56.12 10127.16 12.41 109.67 197.23 570.72 133.94 18.4 220.14 314.48 3030.59 29.22 222 138.12 71.13 55.17 558.03 17.64 36.02 337.04 1003.82 500.77 16.96 162.48 394.01 72.54 251.57 67.94 143.35 60.75 18.28 169.04 518.94 1531.58 514.19 112.82 200 543.82 990.1 936.99 505.68 91.98 1747.34 15.62 1066.09 71.89 498.61 73.82 588.19 4.06 288.21 96.82 72.89 334.1 2919.28 75.86 22.67 109.15 568.52 6.81 88.96 257.31 42.17 144.44 94.02 654.43 180.42 8.67 13.74 43.4 135.68 17.39 67.03 Ursodeoxycholic acid 18.88 1.44 6.25 1.58 3.06 5.92 1.81 14.55 1.31 1.13 1.92 1.05 1.22 3.19 1.24 2.48 1.8 1.55 2.59 3.15 2.21 1.17 95.26 3.99 67.8 1.75 50.18 1.27 33.47 1.01 1.87 1.17 1.02 1.46 27.28 2.94 3.42 1.43 1.59 1.54 49 1.98 4.84 2.42 7135.59 2.62 13.64 1.22 6830.76 1.06 1.19 1.63 6.9 2.36 1.71 16.49 2.33 1.05 7141 2.97 1.15 1.69 14.68 2.29 1.88 24.19 1.46 2.39 1.52 1.64 6658.24 Glycochenodeoxycholic acid 2.06 2 1.75 1.52 2.06 1.1 4.15 5.4 8.28 6.47 1.33 7.57 2.05 6.34 3.53 1.51 1.05 41.42 6.38 3.11 1.05 1.2 1.3 Glycodeoxycholic acid 6.59 3.13 5.57 10.6 24.54 46.75 30.07 16.21 6.1 20.4 27.58 25.21 11.31 14.27 14.27 3.14 20.48 54.58 25.09 45.73 28.55 72.82 41.34 15.08 4.1 21.65 11.87 36.71 32.21 39.64 48.61 2049.79 107.85 2747.26 60.56 854.47 42.25 9.68 13.82 31.87 1109.97 43.03 5.84 56.21 24.01 390.37 31.51 81.08 21.68 23.58 4.59 13.34 299.7 29.31 12.55 9 19.77 21.94 57.9 14.38 38.21 11.63 600.33 16.27 5.78 14.19 11.28 241.7 13.12 5.91 35.28 90.35 3.01 33.43 11.51 94.25 22.18 9.57 17.44 5.68 20.75 21.89 4.22 3.42 13.18 144.03 2.91 12.73 10.19 1.11 24.01 6.82 1.88 Taurolithocholic acid 1.06 1.02 1.01 1.46 1.57 1.4 1.53 3.74 1.88 6.87 4.36 1.7 2.02 1.08 1.02 1.06 1.16 2.42 11.21 1.47 1.14 1.06 1.26 Chenodeoxycholic acid 123.75 50.59 67.02 226.85 100.59 356.61 150.63 38.09 153.28 374.67 34.08 229.64 72.26 150.04 215.83 155.92 254.8 904.9 1094.26 76.08 52.37 147.86 109 71.57 139.41 17.84 50.1 44.27 77.12 100.56 61.76 107.2 70.59 377.44 170.5 134.77 146.18 154.06 112.85 88.03 231.08 30.41 162.38 164.1 762.12 45.31 465.04 321.02 314.67 95.1 563.69 389.6 50.76 233.97 138.05 88.91 70.16 36.27 171.96 113.67 222.35 39.61 59.23 170.97 87.07 300.61 189.16 39.3 83.91 157.55 47.8 219.51 98.35 148.99 4033.68 96.42 553.38 25.13 4312.55 310.06 44.2 6425.22 575.08 48.34 142.36 28.82 190.13 204.78 100.44 129.75 39.02 3431.21 211.13 415.48 39.95 63.89 215.02 176.08 32.08 307.92 230.46 11.45 715.06 8.7 265.54 452.28 179.52 115.98 31.82 118.38 197.24 139.85 152.24 193.12 27.98 1636.9 29.97 320.04 42.37 57.03 46.48 182.71 139.5 55.38 131.62 32.68 86.2 315.61 128.69 144.54 40.31 49.3 34.98 259.17 159.77 87.69 306.73 203.99 98.19 373.97 94.8 102.02 42.94 993.58 102.05 115.28 253.93 55.69 52.53 183.82 354.82 868.76 59.7 119.89 57.16 64.3 70.53 248.25 18.07 17.9 79.28 388.95 287.19 126.26 96.63 135.16 40.2 460.06 38.16 175.1 51.67 32.41 156.08 231.9 794.01 200.9 61.38 108.28 461.4 61.43 418.33 138.42 55.49 1128.6 33.45 338.73 57.94 71.73 48.23 271.94 34.79 155.25 45.86 30.33 258.21 73.79 46.73 55.82 195.41 561.95 213.47 57.49 45.57 14.3 29.99 37.21 268.96 168.49 27.82 72.28 119.75 176.61 3.09 38.33 Deoxycholic acid 12.17 23.01 11.32 26.54 12.54 53.08 118.53 18.38 31.91 187.87 8.98 37.68 47.15 62.59 34.35 45.26 65.08 46.53 652.24 57.19 13.72 54.49 14.9 32.91 6.01 30.99 2.08 19.23 43.82 40.68 22.28 31.74 145.98 21.76 64.66 35.05 21.67 8.16 14.96 7.58 18.53 46.68 19.95 119.85 6.24 58.21 78.33 44.33 39.23 69.99 66.43 15.86 102.78 33.52 53.5 12.61 16.1 24.79 28.6 54.06 26.27 52.72 24.52 33.3 58.71 52.67 16.72 30.93 71.18 6.32 78.41 33.62 1463.16 20.06 68.56 20.78 2271.91 91.17 17.79 1361.1 107.56 19.98 20.97 11.88 13.16 25.83 38.23 15.58 979.04 21.45 71.95 9.2 11.97 116.61 44.16 56.54 50.84 17.57 306.89 4.12 70.04 171.57 44.26 15.6 8.56 35.64 11.15 21.57 24.34 14.24 587.31 5.55 57.97 34.49 18.83 38.81 36.11 25.92 33.75 26.28 12.64 24.03 63.58 72.6 21.85 11.81 13.67 193.52 58.02 30.11 33.82 36.78 89.24 28.95 79.48 39.7 998.16 7.98 50.21 33.63 22.81 11.99 43.47 52.06 438.76 7.47 32.25 28.88 44.01 23.57 51.41 10.29 14.24 417.52 37.39 5.13 58.95 40.07 9.15 137.68 24.07 32.18 14.56 5.73 28.35 63.12 177.48 73.68 28.36 87.14 46.72 75.07 32.18 18.41 219.71 3.7 53.74 20.88 20.44 7.08 27.76 2.28 49.19 12.05 10.95 28.3 218.21 10.2 6.02 8.11 71.01 6.48 30.53 13.96 5.78 5.44 13.88 48.12 27.85 81.98 17.8 21.34 6.61 Glycolithocholic acid 6.42 3.18 5.73 1 2.98 1.07 2.02 3.46 2.28 1.46 4.33 3.3 1.13 2.27 4.55 2.8 2.22 5.65 1.75 Lithocholic acid 22.55 28.78 41.95 5.38 46.27 2.66 27.17 8.07 27.49 2.38 2.83 14.53 12.28 61.72 25.79 29.1 13.66 27.65 27.93 38.81 5.38 12.01 23.8 42.02 30.35 2.7 122.28 48.81 23.28 14.67 2.22 23.23 16.92 20.3 33.47 56.53 85.24 4.07 2.83 23.26 22.88 20.02 4.49 46.66 33.34 19.45 100.22 5.6 10.1 23.27 106.69 45.81 28.94 3.13 13.8 1.16 2.96 1.26 28.55 17.86 60.63 19.46 13.2 16.91 28.62 22.53 57.43 98.85 17-OH progesterone-d8 estradiol-d4 progesterone-d9 testosterone-d3 Glycocholic acid-d4 Taurochenodeoxycholic acid-d4 Cholic acid-d4 Glycochenodeoxycholic acid-d4 Chenodeoxycholic acid-d4 Deoxycholic acid-d4 Lithocholic acid-d5 metabolite_name InChIKey Human Metabolome DB KEGG ID LipidMAPS PubChem ID short key acc.mass (neutral) formula acc mass [M+H]+ resp. [M-H]- m/z ESI mode MRM retention times DP CE EP Entrance Potential CXP Collision Cell Exil Potential LOD (nM) LOQ (nM) cortisol JYGXADMDTFJGBT-VWUMJDOOSA-N n/a C00735 LMST02030001 5754 CRTL 362.20932 C21H30O5 363.217 (+) ESI 363.1/121.1 1.93 50 35 10 15 1 5 17a-Hydroxyprogesterone DBPWSSGDRRHUNT-CEGNMAFCSA-N HMDB00374 C01176 LMST02030161 6238 17OH-Prog 330.219482 C21H30O3 331.227 (+) ESI 331.2/109.1 8.49 40 30 10 13 0.5 2.5 cortisone MFYSYFVPBJMHGN-ZPOLXVRWSA-N HMDB02802 C00762 LMST02030090 222786 CRTN 360.19367 C21H28O5 361.201 (+) ESI 361.1/163.1 1.97 50 35 10 11 0.2 1 corticosterone OMFXVFTZEKFJBZ-HJTSIMOOSA-N HMDB01547 C02140 LMST02030186 5753 CRCTN 346.21441 C21H30O4 347.222 (+) ESI 347.2/121.1 3.59 50 35 10 15 0.5 2.5 progesterone RJKFOVLPORLFTN-LEKSSAKUSA-N HMDB01830 C00410 LMST02030159 5994 PROG 314.22458 C21H30O2 315.232 (+) ESI 315.1/109.1 13.8 40 30 10 15 0.25 3 allo-pregnanolone AURFZBICLPNKBZ-SYBPFIFISA-N HMDB01449 C13712 LMST02030156 92786 a-PALN 318.25589 C21H34O2 319.263 (+) ESI 301.1/283.2 15.7 30 17 10 20 3 15 cortexolone WHBHBVVOGNECLV-OBQKJFGGSA-N n/a C05488 LMST02030086 440707 DXL 346.21441 C21H30O4 347.222 (+) ESI 347.2/109.1 3.94 50 43 10 15 0.5 5 beta-pregnanolone AURFZBICLPNKBZ-YZRLXODZSA-N HMDB06759 C05480 LMST02030175 31402 b-PALN 318.25589 C21H34O2 319.263 (+) ESI 301.2/283.1 11.97 30 18 10 18 2 20 testosterone MUMGGOZAMZWBJJ-DYKIIFRCSA-N HMDB00234 C00535 LMST02020002 6013 TEST 288.20893 C19H28O2 289.216 (+) ESI 289.2/109 6.37 20 28 10 12 0.1 0.5 dehydroepiandrosterone sulfate CZWCKYRVOZZJNM-USOAJAOKSA-N HMDB01032 C04555 LMST05020010 12594 DHEAS 368.48943 C19H28O5S 369.497 (+) ESI 271.1/253.2 3.35 40 20 10 25 10 40 cortexone ZESRJSPZRDMNHY-YFWFAHHUSA-N HMDB00016 C03205 LMST02030087 6166 DXN 330.21949 C21H30O3 331.227 (+) ESI 331.1/109.1 7.26 40 39 10 15 0.3 3 cortisol sulfate JOVLCJDINAUYJW-VWUMJDOOSA-N n/a LMST05020020 102172 CRTL-S 442.16614 C21H30O8S 443.173 (+) ESI 363.1/121.1 1.5 50 35 10 15 5 20 androstenedione AEMFNILZOJDQLW-QAGGRKNESA-N HMDB00053 C00280 LMST02020007 6128 ADREN 286.19329 C19H26O2 287.201 (+) ESI 287.2/109.1 7.71 50 35 10 15 0.5 2 dehydroepiandrosterone FMGSKLZLMKYGDP-USOAJAOKSA-N n/a C01227 LMST02020021 5881 DHEA 288.20893 C19H28O2 289.216 (+) ESI 271.1/253.1 7.88 30 15 10 11 5 25 dihydrotestosterone NVKAWKQGWWIWPM-ABEVXSGRSA-N HMDB02961 C03917 LMST02020042 10635 DHT 290.22458 C19H30O2 291.232 (+) ESI 291.1/255.1 9.54 50 18 10 15 0.5 2.5 aldosterone PQSUYGKTWSAVDQ-ZVIOFETBSA-N n/a C01780 LMST02030026 5839 ALDO 360.1937 C21H28O5 361.201 (+) ESI 361.2/343.1 1.48 10 24 10 25 0.5 5 17-OH pregnenolone JERGUCIJOXJXHF-TVWVXWENSA-N HMDB00363 LMST02030089 91451 17OH-PELN 332.23514 C21H32O3 333.242 (+) ESI 297.2/279.1 7.41 45 18 10 25 200 500 20-hydroxyprogesterone RWBRUCCWZPSBFC-RXRZZTMXSA-N n/a C04042 LMST02030169 8956 20OH-PROG 316.24024 C21H32O2 317.248 (+) ESI 317.1/299.1 11.07 50 24 10 15 50 250 2-methoxyestradiol CQOQDQWUFQDJMK-SSTWWWIQSA-N HMDB00405 C05302 LMST02010035 66414 2MeO-E2 302.18821 C19H26O3 303.195 (+) ESI 285/189 7.18 25 25 10 15 0.5 2.5 androstanediol CBMYJHIOYJEBSB-YSZCXEEOSA-N HMDB00493 C12525 LMST02020053 242332 ADRAL 292.24024 C19H32O2 293.248 (+) ESI 275.1/257.2 6.83 20 20 10 16 1 5 androstenediol QADHLRWLCPCEKT-LOVVWNRFSA-N HMDB03818 C04295 LMST02020005 10634 ADREL 290.22459 C19H30O2 291.232 (+) ESI 273.2/255 5.57 50 18 10 12 5 25 cis-androsterone QGXBDMJGAMFCBF-XYQQMQERSA-N HMDB00031 C00523 LMST02020001 12306765 c-ADRON 290.22459 C19H30O2 291.232 (+) ESI 273.2/255.1 12.55 20 18 10 15 1 10 dihydroprogesterone XMRPGKVKISIQBV-BJMCWZGWSA-N HMDB03759 C03681 LMST02030170 92810 DHP 316.24023 C21H32O2 317.248 (+) ESI 317.1/299.1 15.8 40 15 10 10 25 100 estrone DNXHEGUUPJUMQT-CBZIJGRNSA-N HMDB00145 C00468 LMST02010004 5870 E1 270.16198 C18H22O2 271.169 (+) ESI 271.1/253.2 7.62 30 15 10 11 2 10 estradiol VOXZDWNPVJITMN-ZBRFXRBCSA-N HMDB00151 C00951 LMST02010001 5757 E2 272.17763 C18H24O2 273.185 (+) ESI 255/159 5.7 35 22 10 18 0.5 5 estriol PROQIPRRNZUXQM-ZXXIGWHRSA-N HMDB00153 C05141 LMST02010003 5756 E3 288.17254 C18H24O3 289.18 (+) ESI 271.1/253.1 1.33 30 15 10 11 2 10 etiocholanolone QGXBDMJGAMFCBF-BNSUEQOYSA-N HMDB00490 C04373 LMST02020059 5880 ETCLN 290.22458 C19H30O2 291.232 (+) ESI 273.1/255.2 11.58 45 20 10 18 1 10 pregnenolone ORNBQBCIOKFOEO-QGVNFLHTSA-N n/a C01953 LMST02030088 8955 PELN 316.24023 C21H32O2 317.248 (+) ESI 317.2/299.1 13.93 40 15 10 15 100 250 trans-androsterone QGXBDMJGAMFCBF-LUJOEAJASA-N n/a C07635 LMST02020023 441302 t-ADRON 290.22458 C19H30O2 291.232 (+) ESI 273.1/255.2 9.09 50 18 10 25 5 25 testosterone glucuronide NIKZPECGCSUSBV-HMAFJQTKSA-N HMDB03193 C11134 LMST05010012 108192 TEST-g 464.24102 C25H36O8 465.248 (+) ESI 289.1/109 2.22 40 30 10 10 10 25 Taurodehydrocholate UBDJSBRKNHQFPD-PYGYYAGESA-N 121933 TDHCA 509.24472 C26H39NO7S 508.237 (-) ESI 508.2 / 80 2.98 -145 -110 -10 -4 0.2 10 Tauro-?-Muricholic acid XSOLDPYUICCHJX-SYCKBGHMSA-N 118703092 T-?-MCA 515.29167 C26H45NO7S 514.284 (-) ESI 514.3 / 80 3.53 -155 -110 -10 -4 0.2 10 Tauro-a-Muricholic acid XSOLDPYUICCHJX-OEYGYFRSSA-N HMDB00932 168408 T-a-MCA 515.29167 C26H45NO7S 514.284 (-) ESI 514.3 / 80 3.77 -155 -110 -10 -4 0.2 10 Tauro-ß-Muricholic acid XSOLDPYUICCHJX-UZUDEGBHSA-N LMST05040012 21124703 T-ß-MCA 515.29167 C26H45NO7S 514.284 (-) ESI 514.3 / 80 3.92 -155 -110 -10 -4 0.2 10 Tauroursodeoxycholic acid BHTRKEVKTKCXOH-LBSADWJPSA-N C16868 LMST05040015 9848818 TUDCA 499.29676 C26H45NO6S 498.289 (-) ESI 498.3 / 80 6.15 -145 -110 -10 -4 0.2 10 Taurocholic acid WBWWGRHZICKQGZ-HZAMXZRMSA-N LMST05040001 6675 TCA 515.29167 C26H45NO7S 514.284 (-) ESI 514.3 / 80 6.47 -155 -110 -10 -4 0.2 10 ?-Muricholic acid DKPMWHFRUGMUKF-NTPBNISXSA-N HMDB00364 C17727 LMST04010065 5283851 ?-MCA 408.28757 C24H40O5 407.28 (-) ESI 407.3 / 407.3 7.69 -115 -30 -10 -9 0.2 10 Glycoursodeoxycholic acid GHCZAUBVMUEKKP-XROMFQGDSA-N HMDB00708 LMST04010445 12310288 GUDCA 449.31412 C26H43NO5 448.307 (-) ESI 448.3/ 74 7.81 -115 -70 -10 -4 0.2 2 Glycohyodeoxycholic acid SPOIYSFQOFYOFZ-BRDORRHWSA-N 114611 GHDCA 449.31412 C26H43NO5 448.307 (-) ESI 448.3 / 74 7.98 -115 -70 -10 -4 0.2 5 a-Muricholic acid DKPMWHFRUGMUKF-JDDNAIEOSA-N HMDB00865 119473 a-MCA 408.28757 C24H40O5 407.28 (-) ESI 407.3 / 407.3 8.04 -115 -30 -10 -9 0.2 5 Glycocholic acid RFDAIACWWDREDC-FRVQLJSFSA-N C01921 LMST05030001 10140 GCA 465.30904 C26H43NO6 464.302 (-) ESI 464.3 / 74 8.01 -110 -70 -10 -10 0.2 5 ß-Muricholic acid DKPMWHFRUGMUKF-CRKPLTDNSA-N HMDB00415 C17726 LMST04010067 5283853 ß-MCA 408.28757 C24H40O5 407.28 (-) ESI 407.3 / 407.3 8.43 -115 -30 -10 -9 0.2 10 Taurochenodeoxycholic acid BHTRKEVKTKCXOH-BJLOMENOSA-N HMDB00951 C05465 LMST05040005 387316 TCDCA 499.29676 C26H45NO6S 498.289 (-) ESI 498.3 / 80 8.87 -145 -110 -10 -4 0.2 2 Taurodeoxycholic acid AWDRATDZQPNJFN-VAYUFCLWSA-N HMDB00896 LMST05040013 2733768 TDCA 499.29676 C26H45NO6S 498.289 (-) ESI 498.3 / 80 9.55 -155 -110 -10 -2 0.2 10 Cholic acid BHQCQFFYRZLCQQ-OELDTZBJSA-N HMDB00619 C00695 LMST04010001 221493 CA 408.28757 C24H40O5 407.28 (-) ESI 407.3 / 407.3 10.69 -115 -30 -10 -9 0.2 10 Ursodeoxycholic acid RUDATBOHQWOJDD-UZVSRGJWSA-N C07880 LMST04010033 31401 UDCA 392.29266 C24H40O4 391.285 (-) ESI 391.3 / 391.3 10.94 -105 -30 -10 -9 0.2 5 Glycochenodeoxycholic acid GHCZAUBVMUEKKP-GYPHWSFCSA-N C05466 LMST05030008 12544 GCDCA 449.31412 C26H43NO5 448.307 (-) ESI 448.3/ 74 11.32 -115 -70 -10 -4 0.2 2 Glycodeoxycholic acid WVULKSPCQVQLCU-BUXLTGKBSA-N C05464 LMST05030006 3035026 GDCA 449.31412 C26H43NO5 448.307 (-) ESI 448.3 / 74 11.95 -115 -70 -10 -4 0.2 2 Taurolithocholic acid QBYUNVOYXHFVKC-GBURMNQMSA-N C02592 LMST05040003 439763 TLCA 483.30184 C26H45NO5S 482.295 (-) ESI 482.3 / 80 12.32 -150 -110 -10 -4 0.2 5 Chenodeoxycholic acid RUDATBOHQWOJDD-BSWAIDMHSA-N HMDB00518 C02528 LMST04010032 10133 CDCA 392.29266 C24H40O4 391.285 (-) ESI 391.3/ 391.3 12.57 -105 -30 -10 -9 0.2 10 Deoxycholic acid KXGVEGMKQFWNSR-LLQZFEROSA-N HMDB00626 C04483 LMST04010040 222528 DCA 392.29266 C24H40O4 391.285 (-) ESI 391.3 / 391.3 12.65 -105 -30 -10 -9 0.2 10 Glycolithocholic acid XBSQTYHEGZTYJE-OETIFKLTSA-N HMDB00698 C15557 LMST05030009 115245 GLCA 433.31921 C26H43NO4 432.312 (-) ESI 432.3 / 74 12.71 -120 -65 -10 -4 0.2 10 Lithocholic acid SMEROWZSTRWXGI-HVATVPOCSA-N C03990 LMST04010003 9903 LCA 376.29775 C24H40O3 375.29 (-) ESI 375.3 / 375.3 13.15 -130 -35 -10 -8 0.2 10 17-OH progesterone-d8 DBPWSSGDRRHUNT-LDLLURODSA-N Int Std Int Std 59476914 17OH-Prog-d8 338.26971 C21H22O3D8 339.277 (+) ESI 339.2/100.1 9.3 40 30 10 13 Int Std Int Std estradiol-d4 VOXZDWNPVJITMN-GKCQEISNSA-N Int Std Int Std 87229045 E2-d4 276.20274 C18H20D4O2 277.21 (+) ESI 259.1/161.1 7.02 45 22 10 18 Int Std Int Std progesterone-d9 RJKFOVLPORLFTN-PQIPVKAESA-N Int Std Int Std 71309321 PROG-d9 323.28107 C21H21D9O2 324.288 (+) ESI 324.3/100.1 14.05 45 28 10 12 Int Std Int Std testosterone-d3 MUMGGOZAMZWBJJ-HZRGXLBSSA-N Int Std Int Std 45040472 TEST-d3 291.22777 C19H25D3O2 292.235 (+) ESI 292.1/97.1 7.56 20 27 10 10 Int Std Int Std Glycocholic acid-d4 RFDAIACWWDREDC-WZQUIQSLSA-N 71309846 GCA-d4 469.33417 C26H39D4NO6 468.326894 (-) ESI 468.3 / 74 8.01 -125 -70 -10 -4 int Std int Std Taurochenodeoxycholic acid-d4 BHTRKEVKTKCXOH-GLYOETPHSA-N 57369414 TCDCA-d4 503.32189 C26H41D4NO6S 502.314614 (-) ESI 502.3 / 80 8.87 -175 -110 -10 -4 int Std int Std Cholic acid-d4 BHQCQFFYRZLCQQ-YFEOEUIKSA-N 16217616 CA-d6 412.3127 C24H36D4O5 411.305424 (-) ESI 411.3 / 411.3 10.69 -120 -30 -10 -9 int Std int Std Glycochenodeoxycholic acid-d4 GHCZAUBVMUEKKP-RTJSDMAQSA-N 45039362 GCDCA-d4 453.33925 C26H39D4NO5 452.331974 (-) ESI 452.3 / 74 11.32 -120 -65 -10 -4 int Std int Std Chenodeoxycholic acid-d4 RUDATBOHQWOJDD-PSTGXAJBSA-N 16217615 CDCA-d4 396.31778 C24H36D4O4 395.310504 (-) ESI 395.3 / 395.3 12.57 -125 -25 -10 -9 int Std int Std Deoxycholic acid-d4 KXGVEGMKQFWNSR-FCSCGBJGSA-N 71309027 DCA-d4 396.31778 C24H36D4O4 395.310504 (-) ESI 395.3 / 395.3 12.65 -125 -25 -10 -9 int Std int Std Lithocholic acid-d5 LCA-d5 381.3291 C24H36D4O3 380.321824 (-) ESI 380.3 / 380.3 13.15 -135 -30 -10 -10 int Std int Std