Metabolite Name BLS001A BLS010A BLS010A_2 BLS002A BLS003A BLS010A_3 BLS001A_2 BLS001A_3 BLS002A_2 BLS003A_2 BLS003A_3 BLS002A_3 Retention Index Moverz Quant Local ID PubChem CID KEGG ID mass spectrum Factors Milk fraction:fat Milk fraction:fat Milk fraction:skim Milk fraction:fat Milk fraction:fat Milk fraction:whole Milk fraction:skim Milk fraction:whole Milk fraction:skim Milk fraction:skim Milk fraction:whole Milk fraction:whole 100.0248 5579468 9991400 10100000 4796851 3916203 10600000 10800000 10300000 8250488 14600000 12800000 8971696 0.60 100.0248 100.0295 2859013 2446805 3273933 1932615 2623450 2571979 2928570 3072287 2949317 2563767 2486009 3314111 0.60 100.0295 100.5157 5487142 5384239 4892693 3183287 4930684 259149 4700998 6471981 6757804 5843987 4246349 5463830 0.61 100.5157 101.0077 1149037 1051653 961494 496607 760978 0 993062 1219018 761010 1127972 951231 917880 0.62 101.0077 101.0239_R1 1871197 3789710 4000294 1286797 1451520 3432518 3514312 4157515 3097035 4126677 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36600000 43600000 0.61 102.0344 102.0514 91653 124553 137429 56072 0 94832 134455 130585 128385 144026 124758 135697 0.89 102.0514 102.5360 3185112 3279217 3768452 2335276 3905680 3835926 4248684 4721428 4085188 3574620 3203482 4098806 0.61 102.5360 102.9707 70100000 68200000 71200000 52700000 75800000 67700000 84300000 85500000 77300000 66100000 63000000 78200000 0.78 102.9707 103.0220 0 0 0 0 0 0 0 0 0 0 0 0 2.24 103.0220 104.0309 1020850 933986 1102903 776161 1439296 1448139 1405453 1343593 1198474 1030705 991871 1390666 0.61 104.0309 104.0621 10837 66329 85969 8669 0 83552 44808 56568 33751 39584 12611 46279 6.26 104.0621 104.0711 286144 273295 285214 194745 332335 336928 450020 524275 341112 1030712 982040 363241 1.15 104.0711 104.5238 2903564 3134624 3352630 2373297 3804777 3379816 3859151 4001703 3875785 2989679 2871297 3500839 0.61 104.5238 104.9253 0 0 0 0 0 0 0 0 0 0 0 0 2.20 104.9253 104.9750 616956 652042 786302 542286 609190 601823 566841 999063 950654 244776 977101 842399 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106.0368 0 0 0 0 0 2496 0 0 0 3178 0 0 6.87 106.0368 106.5157 2967148 2786839 2780308 1702853 3854852 0 2599715 3529370 2759254 3223928 2252192 2656623 0.61 106.5157 106.5394 881758 906003 991966 879554 1001036 823156 877013 985488 999740 1097981 895592 948109 0.60 106.5394 106.9636 2053297 1904630 1740053 1600403 1979731 1790821 2107428 2256170 2019538 1812449 1941573 1959164 0.61 106.9636 107.0013 4940843 8614010 8432621 3954278 3295194 8269852 8440698 8389937 6707726 12200000 9584559 7034251 0.61 107.0013 107.0493 203936 181383 202246 172511 182551 187242 182458 177137 155024 198714 170440 160927 10.00 107.0493 107.0495_R1 368704 477003 737403 511667 453399 511387 822011 879186 691725 802408 1161454 833748 11.11 107.0495 107.0495_R2 59303 216084 249450 47590 22848 192617 155383 158623 122130 93753 68375 123053 6.26 107.0495 107.0954 0 0 0 0 0 0 0 0 0 0 0 0 3.54 107.0954 107.5234 14200000 12700000 12300000 7898002 10300000 177309 11200000 16500000 10800000 16100000 10300000 11000000 0.61 107.5234 108.0172 0 0 0 0 0 0 0 0 0 0 0 0 2.25 108.0172 108.0214 700664 602325 576503 342676 330275 153885 569368 585137 487866 468025 508187 488646 0.60 108.0214 108.0640 0 0 0 0 0 0 0 0 0 0 0 0 0.65 108.0640 108.5130_R1 1341327 971559 984291 493506 868123 0 838045 1215247 750301 900235 1094404 739368 0.61 108.5130 108.5130_R2 345418 214148 165065 291272 74071 78720 142895 221660 81715 416739 276389 98170 2.22 108.5130 108.5313 925792 1170296 1091488 665046 701453 166585 769075 1144841 1238419 1160869 880633 978273 0.61 108.5313 108.5367 324124 212415 292296 286439 197492 566910 346260 306952 475099 209426 419758 521671 0.60 108.5367 108.5399 892248 1389030 1152776 597556 460230 0 767216 1073145 694093 2053512 1421216 1181602 0.61 108.5399 109.1017 127124 564929 505354 191063 136922 512837 524932 411961 352182 437991 586793 414123 8.95 109.1017 109.5220 8818964 8304253 7976339 5497604 6853983 176578 7193051 10100000 9539594 9277384 6385897 8922617 0.60 109.5220 110.0091 95900000 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