#METABOLOMICS WORKBENCH Yujinlee0421_20200328_234751 DATATRACK_ID:1963 STUDY_ID:ST001355 ANALYSIS_ID:AN002254 PROJECT_ID:PR000925 VERSION 1 CREATED_ON April 9, 2020, 5:59 pm #PROJECT PR:PROJECT_TITLE Metabolomics linking propyl paraben exposure and allergic outcomes. PR:PROJECT_SUMMARY we evaluated the biomarkers and pathways involved in the associations between PR:PROJECT_SUMMARY urine propyl paraben levels and outcomes by applying global metabolomics PR:PROJECT_SUMMARY analysis. PR:INSTITUTE Department of Clinical Pharmacology and Therapeutics, Seoul National University PR:INSTITUTE College of Medicine and Hospital PR:LAST_NAME Lee PR:FIRST_NAME Yujin PR:ADDRESS 101 Daehak-ro, Jongno-gu, Seoul 110-799, Korea PR:EMAIL yoojinlee@snu.ac.kr PR:PHONE +821033804686 #STUDY ST:STUDY_TITLE Influence of propylparaben in children ST:STUDY_SUMMARY Exposure to paraben was associated with allergic outcomes, partially through the ST:STUDY_SUMMARY metabolomics changes. Urinary metabolomic analysis can be useful to elucidate ST:STUDY_SUMMARY the mechanisms underlying the associations between exposure to paraben and ST:STUDY_SUMMARY allergic outcomes. ST:INSTITUTE Department of Clinical Pharmacology and Therapeutics, Seoul National University ST:INSTITUTE College of Medicine and Hospital ST:LAST_NAME Lee ST:FIRST_NAME Yujin ST:ADDRESS 101 Daehak-ro, Jongno-gu, Seoul 110-799, Korea ST:EMAIL yoojinlee@snu.ac.kr ST:PHONE +821033804686 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 514 1 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=1_1.SMP SUBJECT_SAMPLE_FACTORS 284 2 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=2_1.SMP SUBJECT_SAMPLE_FACTORS 510 3 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=3_1.SMP SUBJECT_SAMPLE_FACTORS 282 4 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=4_1.SMP SUBJECT_SAMPLE_FACTORS 86 5 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=5_1.SMP SUBJECT_SAMPLE_FACTORS 91 6 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=6_1.SMP SUBJECT_SAMPLE_FACTORS 113 7 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=7_1.SMP SUBJECT_SAMPLE_FACTORS 259 8 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=8_1.SMP SUBJECT_SAMPLE_FACTORS 196 9 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=9_1.SMP SUBJECT_SAMPLE_FACTORS 257 10 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=10_1.SMP SUBJECT_SAMPLE_FACTORS 118 11 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=11_1.SMP SUBJECT_SAMPLE_FACTORS 219 12 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=12_1.SMP SUBJECT_SAMPLE_FACTORS 81 13 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=13_1.SMP SUBJECT_SAMPLE_FACTORS 354 14 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=14_1.SMP SUBJECT_SAMPLE_FACTORS 237 15 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=15_1.SMP SUBJECT_SAMPLE_FACTORS 246 16 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=16_1.SMP SUBJECT_SAMPLE_FACTORS 276 17 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=17_1.SMP SUBJECT_SAMPLE_FACTORS 242 18 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=18_1.SMP SUBJECT_SAMPLE_FACTORS 509 19 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=19_1.SMP SUBJECT_SAMPLE_FACTORS 111 20 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=20_1.SMP SUBJECT_SAMPLE_FACTORS 251 21 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=21_1.SMP SUBJECT_SAMPLE_FACTORS 249 22 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=22_1.SMP SUBJECT_SAMPLE_FACTORS 104 23 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=23_1.SMP SUBJECT_SAMPLE_FACTORS 183 24 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=24_1.SMP SUBJECT_SAMPLE_FACTORS 189 25 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=25_1.SMP SUBJECT_SAMPLE_FACTORS 117 26 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=26_1.SMP SUBJECT_SAMPLE_FACTORS 102 27 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=27_1.SMP SUBJECT_SAMPLE_FACTORS 78 28 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=28_1.SMP SUBJECT_SAMPLE_FACTORS 273 29 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=29_1.SMP SUBJECT_SAMPLE_FACTORS 223 30 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=30_1.SMP SUBJECT_SAMPLE_FACTORS 174 31 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=31_1.SMP SUBJECT_SAMPLE_FACTORS 247 32 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=32_1.SMP SUBJECT_SAMPLE_FACTORS 240 33 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=33_1.SMP SUBJECT_SAMPLE_FACTORS 256 34 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=34_1.SMP SUBJECT_SAMPLE_FACTORS 188 35 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=35_1.SMP SUBJECT_SAMPLE_FACTORS 245 36 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=36_1.SMP SUBJECT_SAMPLE_FACTORS 185 37 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=37_1.SMP SUBJECT_SAMPLE_FACTORS 96 38 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=38_1.SMP SUBJECT_SAMPLE_FACTORS 84 39 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=39_1.SMP SUBJECT_SAMPLE_FACTORS 229 40 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=40_1.SMP SUBJECT_SAMPLE_FACTORS 285 41 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=41_1.SMP SUBJECT_SAMPLE_FACTORS 147 42 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=42_1.SMP SUBJECT_SAMPLE_FACTORS 82 43 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=43_1.SMP SUBJECT_SAMPLE_FACTORS 278 44 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=44_1.SMP SUBJECT_SAMPLE_FACTORS 222 45 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=45_1.SMP SUBJECT_SAMPLE_FACTORS 216 46 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=46_1.SMP SUBJECT_SAMPLE_FACTORS 101 47 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=47_1.SMP SUBJECT_SAMPLE_FACTORS 260 48 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=48_1.SMP SUBJECT_SAMPLE_FACTORS 106 49 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=49_1.SMP SUBJECT_SAMPLE_FACTORS 83 50 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=50_1.SMP SUBJECT_SAMPLE_FACTORS 277 51 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=51_1.SMP SUBJECT_SAMPLE_FACTORS 98 52 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=52_1.SMP SUBJECT_SAMPLE_FACTORS 218 53 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=53_1.SMP SUBJECT_SAMPLE_FACTORS 207 54 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=54_1.SMP SUBJECT_SAMPLE_FACTORS 155 55 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=55_1.SMP SUBJECT_SAMPLE_FACTORS 152 56 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=56_1.SMP SUBJECT_SAMPLE_FACTORS 109 57 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=57_1.SMP SUBJECT_SAMPLE_FACTORS 357 58 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=58_1.SMP SUBJECT_SAMPLE_FACTORS 255 59 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=59_1.SMP SUBJECT_SAMPLE_FACTORS 162 60 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=60_1.SMP SUBJECT_SAMPLE_FACTORS 169 61 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=61_1.SMP SUBJECT_SAMPLE_FACTORS 281 62 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=62_1.SMP SUBJECT_SAMPLE_FACTORS 161 63 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=63_1.SMP SUBJECT_SAMPLE_FACTORS 202 64 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=64_1.SMP SUBJECT_SAMPLE_FACTORS 30 65 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=65_1.SMP SUBJECT_SAMPLE_FACTORS 108 66 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=66_1.SMP SUBJECT_SAMPLE_FACTORS 93 67 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=67_1.SMP SUBJECT_SAMPLE_FACTORS 461 68 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=68_1.SMP SUBJECT_SAMPLE_FACTORS 264 69 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=69_1.SMP SUBJECT_SAMPLE_FACTORS 87 70 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=70_1.SMP SUBJECT_SAMPLE_FACTORS 248 71 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=71_1.SMP SUBJECT_SAMPLE_FACTORS 48 72 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=72_1.SMP SUBJECT_SAMPLE_FACTORS 525 73 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=73_1.SMP SUBJECT_SAMPLE_FACTORS 279 74 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=74_1.SMP SUBJECT_SAMPLE_FACTORS 160 75 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=75_1.SMP SUBJECT_SAMPLE_FACTORS 157 76 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=76_1.SMP SUBJECT_SAMPLE_FACTORS 211 77 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=77_1.SMP SUBJECT_SAMPLE_FACTORS 182 78 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=78_1.SMP SUBJECT_SAMPLE_FACTORS 309 79 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=79_1.SMP SUBJECT_SAMPLE_FACTORS 516 80 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=80_1.SMP SUBJECT_SAMPLE_FACTORS 228 81 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=81_1.SMP SUBJECT_SAMPLE_FACTORS 230 82 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=82_1.SMP SUBJECT_SAMPLE_FACTORS 370 83 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=83_1.SMP SUBJECT_SAMPLE_FACTORS 361 84 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=84_1.SMP SUBJECT_SAMPLE_FACTORS 241 85 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=85_1.SMP SUBJECT_SAMPLE_FACTORS 366 86 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=86_1.SMP SUBJECT_SAMPLE_FACTORS 381 87 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=87_1.SMP SUBJECT_SAMPLE_FACTORS 244 88 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=88_1.SMP SUBJECT_SAMPLE_FACTORS 267 89 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=89_1.SMP SUBJECT_SAMPLE_FACTORS 265 90 Group:Control | S_Gender:F Race=Asian; RAW_FILE_NAME=90_1.SMP SUBJECT_SAMPLE_FACTORS 220 91 Group:Control | S_Gender:M Race=Asian; RAW_FILE_NAME=91_1.SMP SUBJECT_SAMPLE_FACTORS 29 92 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=92_1.SMP SUBJECT_SAMPLE_FACTORS 368 93 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=93_1.SMP SUBJECT_SAMPLE_FACTORS 299 94 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=94_1.SMP SUBJECT_SAMPLE_FACTORS 329 95 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=95_1.SMP SUBJECT_SAMPLE_FACTORS 520 96 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=96_1.SMP SUBJECT_SAMPLE_FACTORS 13 97 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=97_1.SMP SUBJECT_SAMPLE_FACTORS 482 98 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=98_1.SMP SUBJECT_SAMPLE_FACTORS 413 99 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=99_1.SMP SUBJECT_SAMPLE_FACTORS 612 100 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=100_1.SMP SUBJECT_SAMPLE_FACTORS 452 101 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=101_1.SMP SUBJECT_SAMPLE_FACTORS 236 102 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=102_1.SMP SUBJECT_SAMPLE_FACTORS 398 103 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=103_1.SMP SUBJECT_SAMPLE_FACTORS 483 104 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=104_1.SMP SUBJECT_SAMPLE_FACTORS 128 105 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=105_1.SMP SUBJECT_SAMPLE_FACTORS 376 106 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=106_1.SMP SUBJECT_SAMPLE_FACTORS 317 107 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=107_1.SMP SUBJECT_SAMPLE_FACTORS 324 108 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=108_1.SMP SUBJECT_SAMPLE_FACTORS 451 109 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=109_1.SMP SUBJECT_SAMPLE_FACTORS 58 110 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=110_1.SMP SUBJECT_SAMPLE_FACTORS 8 111 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=111_1.SMP SUBJECT_SAMPLE_FACTORS 530 112 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=112_1.SMP SUBJECT_SAMPLE_FACTORS 307 113 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=113_1.SMP SUBJECT_SAMPLE_FACTORS 305 114 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=114_1.SMP SUBJECT_SAMPLE_FACTORS 445 115 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=115_1.SMP SUBJECT_SAMPLE_FACTORS 71 116 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=116_1.SMP SUBJECT_SAMPLE_FACTORS 243 117 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=117_1.SMP SUBJECT_SAMPLE_FACTORS 190 118 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=118_1.SMP SUBJECT_SAMPLE_FACTORS 435 119 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=119_1.SMP SUBJECT_SAMPLE_FACTORS 507 120 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=120_1.SMP SUBJECT_SAMPLE_FACTORS 280 121 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=121_1.SMP SUBJECT_SAMPLE_FACTORS 49 122 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=122_1.SMP SUBJECT_SAMPLE_FACTORS 438 123 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=123_1.SMP SUBJECT_SAMPLE_FACTORS 534 124 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=124_1.SMP SUBJECT_SAMPLE_FACTORS 200 125 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=125_1.SMP SUBJECT_SAMPLE_FACTORS 508 126 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=126_1.SMP SUBJECT_SAMPLE_FACTORS 295 127 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=127_1.SMP SUBJECT_SAMPLE_FACTORS 153 128 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=128_1.SMP SUBJECT_SAMPLE_FACTORS 427 129 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=129_1.SMP SUBJECT_SAMPLE_FACTORS 127 130 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=130_1.SMP SUBJECT_SAMPLE_FACTORS 33 131 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=131_1.SMP SUBJECT_SAMPLE_FACTORS 415 132 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=132_1.SMP SUBJECT_SAMPLE_FACTORS 126 133 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=133_1.SMP SUBJECT_SAMPLE_FACTORS 531 134 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=134_1.SMP SUBJECT_SAMPLE_FACTORS 434 135 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=135_1.SMP SUBJECT_SAMPLE_FACTORS 453 136 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=136_1.SMP SUBJECT_SAMPLE_FACTORS 232 137 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=137_1.SMP SUBJECT_SAMPLE_FACTORS 608 138 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=138_1.SMP SUBJECT_SAMPLE_FACTORS 481 139 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=139_1.SMP SUBJECT_SAMPLE_FACTORS 599 140 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=140_1.SMP SUBJECT_SAMPLE_FACTORS 31 141 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=141_1.SMP SUBJECT_SAMPLE_FACTORS 135 142 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=142_1.SMP SUBJECT_SAMPLE_FACTORS 302 143 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=143_1.SMP SUBJECT_SAMPLE_FACTORS 28 144 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=144_1.SMP SUBJECT_SAMPLE_FACTORS 475 145 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=145_1.SMP SUBJECT_SAMPLE_FACTORS 272 146 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=146_1.SMP SUBJECT_SAMPLE_FACTORS 367 147 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=147_1.SMP SUBJECT_SAMPLE_FACTORS 145 148 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=148_1.SMP SUBJECT_SAMPLE_FACTORS 399 149 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=149_1.SMP SUBJECT_SAMPLE_FACTORS 347 150 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=150_1.SMP SUBJECT_SAMPLE_FACTORS 90 151 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=151_1.SMP SUBJECT_SAMPLE_FACTORS 252 152 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=152_1.SMP SUBJECT_SAMPLE_FACTORS 51 153 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=153_1.SMP SUBJECT_SAMPLE_FACTORS 503 154 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=154_1.SMP SUBJECT_SAMPLE_FACTORS 53 155 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=155_1.SMP SUBJECT_SAMPLE_FACTORS 294 156 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=156_1.SMP SUBJECT_SAMPLE_FACTORS 65 157 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=157_1.SMP SUBJECT_SAMPLE_FACTORS 69 158 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=158_1.SMP SUBJECT_SAMPLE_FACTORS 339 159 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=159_1.SMP SUBJECT_SAMPLE_FACTORS 214 160 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=160_1.SMP SUBJECT_SAMPLE_FACTORS 129 161 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=161_1.SMP SUBJECT_SAMPLE_FACTORS 121 162 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=162_1.SMP SUBJECT_SAMPLE_FACTORS 569 163 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=163_1.SMP SUBJECT_SAMPLE_FACTORS 486 164 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=164_1.SMP SUBJECT_SAMPLE_FACTORS 495 165 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=165_1.SMP SUBJECT_SAMPLE_FACTORS 410 166 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=166_1.SMP SUBJECT_SAMPLE_FACTORS 501 167 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=167_1.SMP SUBJECT_SAMPLE_FACTORS 70 168 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=168_1.SMP SUBJECT_SAMPLE_FACTORS 7 169 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=169_1.SMP SUBJECT_SAMPLE_FACTORS 511 170 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=170_1.SMP SUBJECT_SAMPLE_FACTORS 38 171 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=171_1.SMP SUBJECT_SAMPLE_FACTORS 392 172 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=172_1.SMP SUBJECT_SAMPLE_FACTORS 363 173 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=173_1.SMP SUBJECT_SAMPLE_FACTORS 79 174 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=174_1.SMP SUBJECT_SAMPLE_FACTORS 21 175 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=175_1.SMP SUBJECT_SAMPLE_FACTORS 515 176 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=176_1.SMP SUBJECT_SAMPLE_FACTORS 414 177 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=177_1.SMP SUBJECT_SAMPLE_FACTORS 311 178 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=178_1.SMP SUBJECT_SAMPLE_FACTORS 110 179 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=179_1.SMP SUBJECT_SAMPLE_FACTORS 261 180 Group:Exposured | S_Gender:F Race=Asian; RAW_FILE_NAME=180_1.SMP SUBJECT_SAMPLE_FACTORS 197 181 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=181_1.SMP SUBJECT_SAMPLE_FACTORS 258 182 Group:Exposured | S_Gender:M Race=Asian; RAW_FILE_NAME=182_1.SMP #COLLECTION CO:COLLECTION_SUMMARY urine samples were collected from Korean children. CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY No treatment was performed on the samples. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A 50 µL sample of urine was extracted with 1mL of the first extraction SP:SAMPLEPREP_SUMMARY solution. and the supernatant was dried under nitrogen and re-extracted with 400 SP:SAMPLEPREP_SUMMARY µL of second extraction solution. After the second extraction, the supernatant SP:SAMPLEPREP_SUMMARY was dried under nitrogen and further derivatized. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890B CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus HT TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 Factors Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Control | S_Gender:F Group:Control | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:F Group:Exposured | S_Gender:M Group:Exposured | S_Gender:M Asparagine 0.82 0 0.53 0.5 0.44 0.87 0.28 0.4 0.53 0.6 0.52 0.92 0.51 0.73 0.42 0.45 0.51 0.9 0.42 0.45 0 0.42 0.67 0.66 0.47 0.41 0.75 0.47 0.58 0 1.65 0.54 0.43 0.39 0.53 0.6 0.56 0.54 0.48 0.49 0 0.84 0.5 0.64 0.77 0.62 0.46 0.5 0.34 0.22 0.3 0.29 0.34 0.37 0.38 0.37 0.21 0.23 0.22 0.18 0.34 0.21 0.29 0.31 0.27 0.26 0.23 0.24 0.25 0 0.3 0.74 0.3 0.34 0.35 0.31 0.41 0.22 0.29 0.29 0.26 0.24 0.43 0.58 0.39 0 0.3 0.36 0.38 0.38 0.49 0.35 0.31 0.3 0.2 0.31 0.22 0.21 0 0.6 0.57 0.18 0.86 0.37 0.27 0.23 0.41 0.3 0.27 0.37 0.24 0.28 0.23 0 0.3 0.31 0.28 0.4 0 0.23 0.49 0.33 0.5 0.35 0.33 0.43 0.47 0.46 0.48 0.36 0.23 0.36 0.32 0.43 0.67 0.29 0.44 0 0.29 0.17 0.21 0.56 0.29 0.38 0.4 0.29 0.22 0.29 0.44 0.36 0.27 0 0.29 0.25 0.18 0.28 0 0.34 0.24 0 0.27 0.29 0.52 0.35 0.32 0.58 0.3 0.31 0.27 0.44 0.24 0 0.77 0.27 0.4 0.44 0.23 0.33 0.37 0.47 0.37 0.33 L-Threonine 37.53 53.33 73.41 50.32 52.99 28.19 103.16 83.42 77.37 45.34 86.12 26.87 50.23 31.03 57.32 79.49 55.92 45.99 104.58 67.87 27.63 48.12 53.99 41.87 108.47 61.68 7.32 81.69 47.24 47.42 0.65 51.24 61.72 102.86 35.17 55.5 59.16 40.73 43.81 47.74 56.2 16.38 29.43 28.81 47.07 27.9 60.59 37.42 63.51 63.16 58.86 40.89 55.59 43.39 41.29 56.68 55.97 57.34 42.21 101.31 30.57 119.48 63.58 71.94 89.24 70.84 63.55 64.48 48.7 67.65 29.52 27.9 116.82 87.31 76.01 47.79 53.93 64.73 66.45 65.46 36.74 52.08 60.14 53.98 95.13 32.24 24.62 99.21 53.87 70.64 40.48 60.99 88.55 75.93 83.76 74.01 92.96 59.51 82.02 49.3 46.23 129.93 24.11 57.62 72.1 69.36 44.66 64.75 31.34 57.6 82.42 69.55 65.88 81.95 56.97 53.14 65.57 27.43 89.09 86.07 45.46 57.7 63.72 58.96 75.6 23.8 69.17 46.2 26.39 74.67 60.83 52.06 81.41 108.94 21.11 78.51 70.92 154.13 109.55 48.64 47.24 35.69 60.86 34.58 62.19 69.51 55.1 48.29 38.83 47.28 49.58 43.54 83.36 142.51 79.03 51.47 14.92 98.26 66.56 41.43 38.82 137.02 62.26 64.06 73.26 110.83 67.05 66.78 75.14 30.94 94.61 41.3 16.83 82.42 17.16 64.08 55.98 50.81 119.14 38.34 79.51 76.37 Serine 8.77 14.45 20.54 19.79 6.44 8.16 19.32 19.95 25.99 16.57 23.79 5.71 14.75 5.31 14.64 20.52 18.66 8.6 28.47 19.77 2.06 14.89 16.52 12.35 23.74 20.42 0.58 20.76 13.67 13.26 0.23 11.09 15.05 20.72 9.56 16.12 18.14 12.69 15.28 6.21 15.05 3.35 14.56 1.56 7.49 10.98 18.64 11.59 16.56 25.09 17.35 12.94 16.39 14.64 12.4 14.88 15.18 25.22 18.05 27.09 5.92 31.69 23.9 21.96 24.95 15.47 28.13 17.85 16.61 22.35 11.59 10.21 24.01 23.69 19.97 16.94 18.87 19.65 10.37 21.72 15.68 18.87 19.68 21.34 26.7 13.16 5.44 26.48 25.51 23.49 13.9 22.12 22.63 25.72 30.68 25.68 32.72 17.57 21.43 13.73 15.9 30.25 8.58 22.98 19.1 24.26 19.92 26.62 15.55 17.88 27.96 26.96 19.9 24.48 21.96 20.46 24.74 13.68 24.07 30.97 19.33 22.19 25.42 18.42 29.88 1.97 18.06 20.89 13.09 27.46 20.81 26.57 22.11 28.13 2.49 16.76 21.64 35.66 24.3 14.53 19.72 15.51 17.93 14.17 15.9 22.52 18.01 17.37 17.35 17.25 17.26 12.87 27.5 32.83 17.11 21.55 6.35 27.62 14.97 18.06 13.07 35.29 15.26 20.16 21.65 25.77 23.75 17.29 21.5 16.95 29.75 16.03 2.82 37.44 1.51 23.25 19.6 15.02 24.09 9.86 26.18 21.67 Glycine 61.53 115.19 99.62 132.44 106.84 85.4 116.01 108.02 142.62 82.65 167.14 106.78 80.09 89.01 105.79 140.52 155.95 118.42 154.78 131.88 117.66 129.23 105.37 76.05 187.03 162.04 87.09 127.9 84.46 91.11 2.73 108.12 122.03 220.08 115.31 169.84 156.46 87.76 73.37 112.42 140.38 67.4 73.42 142.13 96.55 78.97 135.21 132.67 127.56 173.47 99.87 94.89 138.83 125.18 115.93 116.49 132.84 123.36 93.37 169.33 139.74 254.02 136.46 156.91 258.28 207.1 160.19 101.71 137.34 194.99 99.13 97.89 149.23 141.83 170.87 142.17 225.14 143.97 130.84 153.87 112.3 127.3 216.04 162.84 147.53 151.69 142.34 184.33 164.4 233.85 182.69 110.54 204.42 110.76 166.24 235.16 159.81 112.82 154.6 156.11 112.52 181.14 87.96 147.14 130.46 127.7 181.71 194.23 101.13 108.11 210.56 151.42 181.19 261.72 141.89 136.35 127.67 72.03 222.78 160.18 176.75 80.43 164.68 126.81 146.55 213.85 120.26 164.98 153.91 142.21 124.41 219.22 159.6 136.7 104.8 120.84 193.2 180.14 176.85 111.86 124.67 108.8 114.76 134.57 125.02 195.65 91.11 146.02 149.34 123.07 112.42 123.74 192.23 215.05 202.1 90.74 73.01 201.78 186.76 126.15 73.95 209.16 144.55 138.99 211.62 204.37 142.12 118.48 222.74 102.89 201.03 135.63 69.1 133.54 229.91 130.79 170.17 135.99 144.36 122.54 194.49 155.25 Ornithine 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0 0.01 0.01 0.02 0.01 0.01 0 0.01 0.01 0.01 0.01 0.01 0.01 0.04 0.02 0.02 0.01 0.01 0.01 0.01 0.01 0.02 0.01 0 0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.02 0.01 0.01 0.01 0.02 0.01 0.01 0.02 0.01 0.02 0.01 0.02 0.01 0.02 0.01 0.02 0.03 0.01 0.02 0.03 0.02 0.02 0.02 0.01 0 0.01 0.05 0.08 0.03 0.06 0.03 0.02 0.01 0.02 0.02 0.02 0.01 0.01 0.02 0.02 0.02 0.02 0.02 0.01 0.03 0.03 0.02 0.03 0.07 0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.02 0.1 0.03 0.02 0 0.01 0.01 0.02 0.01 0.1 0.02 0.02 0.07 0.02 0.02 0.02 0.01 0.02 0.01 0 0.02 0.02 0.01 0.01 0.01 0.01 0.02 0.01 0.03 0.03 0.02 0.06 0.02 0.04 0.01 0.02 0.04 0.01 0.03 0.03 0.02 0.02 0.01 0.02 0.01 0.04 0.03 0.01 0.02 0.01 0.03 0.01 0.03 Isoleucine 0 0.18 0 0 0.66 0 0 0.9 0 0.93 0.62 0 0.73 0.56 1.07 1.25 0.82 0.41 0 0 0.47 0 0.71 0 0.88 0 0 0 0.66 0.81 0 0 0 0 1.2 0 0 0 0.61 0 0 0 0.59 0 0 0.07 0.78 0 0.61 0 0.11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.85 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07 1.12 1.54 0.82 1.66 1.06 1.65 1.11 0.74 0.94 0.82 0.8 0 1.7 0 0.93 1.42 1.82 0.8 1.48 2.37 1.68 1.44 0.75 1.1 1.17 1.11 0.94 1.36 1.11 1.31 1.11 0 1.71 1.53 1.24 1.72 0.82 1.09 1.38 1.36 1.46 0.86 0.91 0 0 1.44 0.98 1.34 1.01 0.74 0.95 1.37 0.96 1.28 0 0.8 1.02 1.09 0.97 0.67 0.96 1.44 1.7 0 1.19 0 1 0.89 1.51 1.21 1.25 0.81 0.99 1.02 0 1.27 1.06 1.74 0.23 1.98 0.76 0 1.33 0.14 0 0.92 0.54 0.85 0.67 1.6 0 Picolinic acid 0.57 0.17 0.22 0.53 0.29 0.43 0.31 0.16 0.44 0.47 0.39 0.38 0.4 0.82 0.29 0.41 0.53 0.32 0.54 0.48 0.48 0.48 0.54 0.9 0.35 0.44 0.33 0.51 0.33 0.42 0.15 0.52 2.62 0.48 0.42 0.41 0.49 0.43 0.42 0.41 0.51 0.35 0.62 0.3 0.56 0.33 0.4 0.53 0.36 0.63 0.92 0.72 1.3 0.6 0.8 0.97 0.64 0.88 0.62 0.57 0.97 0.47 0.75 1.14 1.05 1.2 0.8 0.79 0.74 0.79 0.99 1.06 0.74 0.82 0.75 0.92 0.91 0.69 0.76 0.67 0.78 0.85 1.16 1.26 0.81 0.8 0.7 0.45 2.64 0.88 0.63 0.95 0.97 0.93 0.95 0.63 0.6 0.63 0.52 1.73 1.16 0.78 0.97 0.83 0.55 3.1 1.21 1.53 1.43 1.26 1.23 0.93 0.9 0.76 1.4 1.24 0.94 0.96 0.88 0.88 0.94 0.77 0.9 0.84 0.71 1.73 1.26 2.03 1.03 1.04 0.91 1.76 1.18 0.98 1.21 0.82 0.63 0.94 1.23 0.98 2.93 1.06 0.97 1.01 1.11 1.23 0.87 1.13 0.99 0.82 1.15 1.05 0.92 0.77 1.52 1.18 1.3 1.69 0.99 0.99 0.91 0.85 1.14 1.22 0.88 0.82 0.74 0.96 2.16 1.42 0.77 1.04 1.18 0.97 1.32 1.46 0.94 1.23 1.32 1.23 0.93 1.13 Palmitic Acid 14.89 12.04 9.31 9.53 8.57 16.64 5.43 8.8 10.86 11.81 9.84 14.86 11.83 13.75 7.56 8.26 10.6 15.56 7.55 9.54 12.56 7.91 12.23 13.48 9.26 8.76 16.44 10.17 11.19 10.21 24.53 9.2 8.69 8.45 9.28 12.16 10.94 11.25 9.73 9.45 9.08 17.81 10.06 14.71 15.69 12.52 8.51 9.13 6.53 4.43 6.82 5.87 6.82 5.71 7.91 7.1 4.59 4.28 3.9 3.22 7.68 3.42 5.57 5.02 5.88 5.39 4.6 5.34 4.65 4.23 4.82 10.77 5.51 6.35 5.03 5.12 7.85 4.05 4.67 5.75 5.5 6.04 9.66 9.51 7.35 10.52 6.5 6.36 6.97 7.12 7.52 8.67 6.06 7.27 4.23 5.54 4.28 3.69 4.63 11.27 11.14 2.97 14.56 6.58 4.32 5.27 8.54 5.75 6.7 8.62 4.44 5.17 3.74 4.66 7.65 6.31 4.84 7.51 7.3 5.07 8.51 6.5 9.69 6.26 5.67 10.03 9.73 9.48 10.65 7.26 4.37 6.65 7.38 8.66 13.49 4.95 7.2 5.31 5.46 3.53 4.71 9.98 5.51 7.72 8.12 6.8 4.21 6.16 8.86 6.28 5.85 9.13 5.31 4.95 3.96 6.17 14.26 6.12 4.42 5.58 4.95 4.99 8.67 7.5 6.98 9.16 4.91 5.24 5.35 10.71 4.64 10.84 15.29 4.81 8.16 6.98 4.47 6.59 8.3 8.01 6.39 5.09 2-Palmitoylglycerol 2.15 1.74 1.57 1.47 1.47 2.72 0.79 1.33 1.79 1.87 1.65 2.37 1.84 2.13 1.16 1.25 1.85 2.41 1.16 1.51 2.01 1.29 1.99 2.29 1.23 1.38 2.32 1.6 1.79 1.64 3.14 1.28 1.34 1.1 1.36 1.68 2.02 1.57 1.43 1.37 1.32 2.73 1.49 1.96 2.22 1.85 1.22 1.29 0.66 0.5 0.77 0.63 0.75 0.69 0.92 0.95 0.56 0.43 0.44 0.47 0.82 0.39 0.67 0.7 1.4 0.65 0.51 0.56 0.52 0.55 0.63 1.4 0.76 0.8 0.63 0.64 1.2 0.54 0.52 0.77 0.62 1.17 0.91 1.06 0.88 1.21 0.6 0.63 0.68 0.94 0.88 0.88 1 0.84 0.56 0.65 0.48 0.5 0.61 1.49 1.8 0.53 2.14 0.9 0.6 0.81 1.16 1.26 0.69 1.13 0.48 0.77 0.48 0.6 0.96 1.04 0.51 0.88 0.79 0.53 1.24 0.96 1.25 0.95 0.9 1.49 1.37 1.15 2.14 1.12 1.3 0.9 1.02 1.14 1.84 0.65 1.13 0.7 0.57 0.44 0.56 1.17 0.7 1.06 1.1 0.75 0.51 0.77 0.96 0.79 0.69 1 1.03 0.47 0.7 0.87 1.99 0.76 0.58 0.75 0.64 0.68 1.37 1.31 0.75 1.46 1.32 1.01 0.76 2.29 0.93 1.89 2.26 0.87 0.97 1.18 1.06 1.09 1.15 1.25 0.97 1.16 Arabinofuranose 2.58 4.58 7.19 7.68 3.38 2.59 4.45 9.04 4.22 6.25 4.11 1.13 7.14 4.68 8.61 4.63 5.6 0.81 5.37 3.89 3.07 5.32 4.29 4.54 1.52 8.76 0.59 2.99 7.97 4.94 0.07 3.79 4.72 4.64 5.42 0.33 4.17 6.09 5.07 3.44 9.08 1.65 5.21 0.11 1.28 2.68 3.67 1.84 4.63 11.94 4.41 5.42 4.87 5.66 5.32 9.82 8.11 9.66 11.81 6.2 7.27 2.39 8.06 6.03 1.38 1.58 14.31 4.54 7.21 5.03 9.65 2.15 3.87 5.62 4.13 6.59 0.57 10.5 6.46 10.77 10.24 8.16 1.43 6.9 1.81 2.45 7.68 2.58 7.45 6.64 5.72 10.42 3.69 4.8 8.15 4.92 7.91 11.96 4.17 1.24 4.7 5.87 1 8.13 5.99 12.96 8.22 8.65 10.53 7.23 9.43 11.66 5.74 2.01 7.44 11.31 9.92 6.1 4.05 5.26 6.9 9.13 5.03 6.85 8.9 1.64 10.16 5.65 4.16 11.08 11.67 9.29 3.12 0.86 0.83 5.52 3.99 3.81 6.13 7.12 9.69 3.12 5.27 7.23 6.33 4.04 8.33 5.93 7.35 4.53 11.18 4.99 6.73 5.01 4.39 14.34 2.31 4.18 3.26 15.62 7.09 4.23 3.9 9.76 4.59 3.57 8.29 3.44 2.02 8.81 9.26 2.8 0.94 10.83 2.06 6.92 3.44 8.03 0.39 5.26 6.41 8.24 D-lyxofuranose 9.24 2.03 2.32 6.35 3.13 3.14 2.11 2.57 2.85 6.35 4.54 3.34 3.41 4.08 3.64 2.28 4.85 2.01 2.96 4.63 3.49 3.59 5.2 2.58 2.48 4.04 3.71 3.42 3.73 2.49 0.28 2.91 2.87 4.43 2.31 5.18 2.37 2.47 7.04 2.69 6.44 1.58 7.69 2.25 5.11 2.87 4.25 3.26 3.74 9.75 8.71 9.42 6 4.26 7.75 9.45 6.3 4.95 6.66 2.78 10.62 3.1 9.22 8.08 3.16 9.61 10.56 6.16 7.12 7.77 9.17 3.25 3.95 5.92 6.27 6.99 5.11 4.31 5.06 8.02 4.56 2.03 6.64 7.44 5.14 5.52 5.38 4.81 6.3 4.84 6.02 6.87 3.51 9.13 7.04 4.97 9.33 10.63 3.36 12.84 6.68 5.48 3.37 6.18 14.55 9.92 13.29 3.36 26.82 9.47 11.98 12.43 5.28 5.87 13.01 16.07 7.59 6.85 6.57 11.7 9.37 8.78 7.48 6.36 7.59 8.87 10.31 9.38 4.28 10.3 4.14 7.45 8.65 10.85 6.15 8.5 11.68 21.98 6.92 25.71 11.85 5.35 8.15 8.31 7.53 14.24 13.64 9.36 10.31 10.23 16.55 6 4.26 5.42 9.71 13.76 8.21 8.07 5.49 13.96 8.49 6.29 10.82 12.96 8.47 6.99 4.87 6.23 13.97 6.37 4.71 5.06 8.29 7.95 15.21 24.2 3.77 11.97 23.22 9.49 10.08 6.49 Ethyl d-galactofuranoside 23 40.88 36.93 47.98 42.6 19.31 41.69 43.57 25.86 35.95 33.33 19.46 45.07 43.11 38.4 36.85 46.78 14.75 45.29 41.79 43.87 50.14 34.06 31.65 28.21 38.67 38.81 33.19 40.44 41.85 1.23 41.7 39.51 41.49 37.84 25.28 27.02 31.35 34.74 41.84 54.9 14.28 35.96 26.66 15.35 26.19 31.96 36.24 50.07 55.13 49.92 46.13 36.15 33.11 35.33 52.06 40.43 57.47 60.84 34.39 38.46 32.02 38.14 43.24 32.56 38.25 65.12 40.49 42.86 53.24 50.77 14.88 21.83 34.77 28.85 34.87 35.19 50.63 48.17 47.23 54.14 39.57 25.5 39.25 32.54 15.28 48.98 26.29 36.69 35.22 30.7 53.11 38.56 53.14 42.89 20.52 54.3 54.42 44.4 23.73 29.25 48.14 9.93 39.61 29.04 57.8 44.48 45.79 55.78 49.76 70.7 58.49 33.62 25.55 56.92 68.22 54.76 35.91 32.72 46 38.94 42.6 38.95 38.06 42.76 43.1 53.65 34.28 27.58 60.21 49.81 52.73 39.24 21.14 25.06 58.9 32.91 24.13 33.71 54.79 58.27 21.74 28.51 38.69 31.03 42.06 40.16 32.07 42.64 20.53 64.31 35.25 37.7 33.01 45.96 66.24 19.01 41.29 40.89 72.41 40.21 29.87 30.78 48.1 39.11 25.53 35.98 21.92 43.17 46.4 44.26 23.31 19.67 49.79 40.5 39.19 41.35 53.55 51.19 58.9 41.09 45.3 Ribose 1.7 2.41 2.5 3.16 2.81 1.52 2.16 3.26 1.68 2.07 1.6 1.44 2.84 1.96 3.14 2.38 3.76 0.89 3.49 2.58 2.49 3.35 2.14 3.52 1.49 2.16 1.94 5.55 2.77 2.15 0.07 2.35 2.5 2.39 2.18 2.32 2.01 1.69 2.24 3.71 3.06 0.85 3.21 2.47 1.73 2.21 3.01 2.12 2.85 3.43 3.22 2.59 2.4 2.21 2.88 8.26 3.62 3.89 3.78 3.26 3.54 2.1 3.38 2.19 2.15 3.22 4.62 2.21 2.82 3.63 5.06 0.93 1.63 2.34 2.17 2.54 3.72 2.75 2.2 3.15 3.59 2.38 1.9 2.31 2.68 1.34 3.63 2.28 3.35 3.31 2.15 3.29 4 2.99 3.06 2.73 3.68 5.69 2.62 2.49 1.78 4.13 0.94 4.61 1.9 3.05 3.64 3.52 2.41 2.71 3.47 5.34 3.25 1.72 2.84 4.35 3.04 3.16 2.34 3.32 3.96 2.76 2.29 2.31 3 3.58 4.31 2.76 2.02 4.37 3.83 3.35 2.08 2.88 1.93 4.66 2.47 1.95 1.84 6 5.55 1.2 2.86 2.39 2.35 2.98 2.8 2.53 3.34 2.65 3.04 2.12 2.29 1.93 2.45 3.2 3.99 2.43 2.56 3.93 4.3 2.34 1.75 2.66 2.54 1.78 3.62 3.9 2.25 3.56 2.98 1.79 1.91 3.33 4.53 2.59 1.55 3.5 3.3 3.23 2.69 3.58 2,3-Dihydroxybutanoic acid 2.54 3.08 3.2 2.77 5.96 2.49 4.53 4.27 2.6 4.87 4.27 1.99 9.12 3.71 3.32 2.85 2.64 1.59 5.04 5.84 4.68 4.79 3.16 3.03 2.69 2.65 4.1 3.51 3.8 4.1 0.1 3.79 3.46 4.72 3.41 4.11 1.97 2.86 3.8 2.68 4.24 1.44 4.29 4.46 2.02 2.73 2.13 3.33 5.29 5.62 6.39 4.94 3.18 3.79 3.86 5.01 4.49 7.06 4.71 2.45 4.14 2.43 2.7 7.89 3.85 4.75 4.76 3.34 2.82 6.11 2.93 1.45 3.86 3.99 3.6 3.76 3.62 3.32 5.32 3.91 3.14 3.76 2.79 3.78 3.63 1.4 2.43 2.21 3.91 1.98 1.72 3.97 3.58 8.07 3.61 2.14 4.52 3.3 4.34 2.64 4.65 4.78 1.19 2.18 2.01 7.7 4.59 3.33 9.11 5.37 9.93 3.6 3.2 5.76 7.74 5.23 4.47 3 4.27 4.84 2.18 4.01 3.16 4.01 3.41 5 5.7 3.2 3.21 4.32 3.98 3.89 5.23 2.68 2.19 4.91 2.39 4.68 3.69 5.69 3.24 1.87 4.04 4.54 2.4 4.25 2.96 1.91 4.68 1.67 9.45 3.28 3.88 2.52 6.36 8.79 0.93 4.33 6.93 8.15 3.96 3.44 2.5 4.34 3.86 4.21 2.28 2.84 4.77 4.11 4.03 2.07 2.22 4.75 4.06 5.24 4.88 4.61 6.01 7.11 2.67 2.93 Citrate 22.8 25.4 0.65 0.65 17.1 19.1 25 27.9 27.4 24.6 23.3 16 23.5 21.9 28.4 28.7 27.7 25.4 0.65 33.9 0.65 33.9 19 18.4 33.4 42.1 12.9 29.7 20.6 30.4 0 0.65 34.5 35.3 0.65 28.4 36.7 36.8 24.6 26.4 30.2 18.8 17.9 24.7 20.6 23.4 32.6 0.65 49.4 40.5 28.7 23.2 30.8 20.3 22.1 42.3 41.5 25.3 19.3 0.65 42.6 0.65 23.1 0.65 41 26.9 31.6 21.4 26.7 40.3 25.9 16.9 21.2 36.1 40.2 25.6 40.7 41.3 24.1 47.7 32.1 54.2 34.9 0.65 32.5 33.7 42.5 36.7 29.5 35.2 41 45 0.65 36.8 43.7 36.1 47.7 32.9 28.9 26.2 23.7 38.4 25.7 44.2 31 45.7 34.1 50.8 16.2 28.3 0.65 0.65 22 34.2 27.6 41.7 23.5 21.7 31 41.8 29.1 33.2 39.3 32.5 26.7 49.6 30.9 27.7 40 31 45.5 37.6 26.5 31.8 31.3 25.8 34.1 26 34.1 23.7 29.3 28.4 23.8 46.2 26 44.2 35.4 24.1 61.9 29.8 32.3 24 48.1 42.5 49.1 47.2 28.9 35.5 43.4 27 29.7 33.1 25.8 14.1 28.8 12.9 38.5 23.2 29.3 41.6 46.9 26.5 27.6 0.65 27.4 19.1 49.1 26.8 15.4 29.3 34.2 50.2 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem KEGG Asparagine 6267 C00152 L-Threonine 6288 C00188 Serine 5951 C00065 Glycine 750 C00037 Ornithine 6262 C00077 Isoleucine 6306 C00407 Picolinic acid 1018 C10164 Palmitic Acid 985 C00249 2-Palmitoylglycerol - - Arabinofuranose 440921 C06115 D-lyxofuranose - - Ethyl d-galactofuranoside - - Ribose 5779 C00121 2,3-Dihydroxybutanoic acid 13120901 - Citrate 311 C00158 METABOLITES_END #END