metabolite_name SDiamInj04_WT T0_CSH.d SDiamInj05_WT T4_CSH.d SDiamInj03_KaiC T0_CSH.d SDiamInj02_KaiC T4_CSH.d 9.71_693.56 _9.70_688.60 1028 985 727 847 6.85_617.51 _6.85_612.56 1185 1204 150 1331 6.40_641.51 _6.40_636.56 1834 1886 1935 2469 4.80_884.61 9779 9245 7416 8663 6.96_810.68 _6.96_792.676.96_832.66 6.69_972.73 _6.69_994.72 192 306 763 986 1.68_480.35 664 562 463 645 4.79_706.54 1107 917 1239 1280 4.33_704.52 178 4104 7879 8383 5.12_720.56 116682 96552 65908 71792 5.40_734.57 904 4206 685 734 4.86_732.55 41240 37373 20863 23604 4.43_730.54 3764 3501 4515 4302 4.79_728.52 749 1421 1979 4918 5.63_748.59 940901 898686 587961 656747 5.16_746.57 9346085 8918413 6176024 6810107 4.70_744.55 1556514 1412675 2261754 2290695 6.05_762.60 5653 5495 513 701 5.52_760.59 167509 150112 93630 113013 5.04_758.58 1997 1098 2423 36101 5.80_774.61 975399 887335 1512692 1833086 5.22_772.59 58811 52873 664385 750674 4.86_770.57 1239 1277 24667 29635 6.13_788.62 1145 1246 1706 1840 5.64_786.60 889 1066 11000 12485 4.91_782.57 396 419 1505 2003 4.54_780.56 2519 2442 1811 2203 5.92_800.62 2838 2700 1963 1982 5.48_798.60 102 38 1405 3283 5.22_796.59 179 193 1702 2697 4.97_808.58 1325 215 1088 1467 5.28_768.59 7955 441 7157 9220 5.19_766.58 162858 156257 117438 151517 5.12_792.59 83 199 10166 394 6.32_746.57 827 2309 802 4467 5.70_768.56 6158 5823 3950 4548 4.91_764.52 12120 11683 29461 30278 6.01_752.56 7186 3022 20759 2729 5.41_750.54 907 712 937 57924 10.36_796.74 1446 1252 1317 1415 10.81_829.73 _10.81_824.77 18277 18054 18104 18156 10.38_827.71 _10.38_822.75 1768 1443 1624 1118 9.98_825.69 _9.98_820.74 1135 1027 1147 981 11.20_857.76 _11.20_852.80 17615 14920 15891 17073 10.80_855.7 _410.80_850.79 2154 1773 1976 1166 10.41_853.73 _10.41_848.77 2039 1507 1680 1264 10.01_851.71 _10.01_846.76 1001 805 803 787 11.56_885.79 _11.56_880.83 5310 8812 5212 8386 10.88_881.76 _10.88_876.80 4467 3406 3190 2133 10.46_879.74 _10.46_874.79 2374 2139 1677 2375 10.09_877.73 _10.09_872.77 1632 1372 1707 1619 10.84_907.77 _10.84_902.82 2750 2693 2717 2576 10.10_903.74 _10.10_898.79 1492 1358 1860 1413 3.44_279.16 3384 2740 2255 3742 3.44_391.29 79092 66745 51927 85394 5.03_865.53 8789 8251 6156 6862 4.86_766.57 162882 178000 39 169838 5.06_1475.16 8489 140 4445 4346 3.45_435.32 4660 4029 3350 4827 3.45_803.55 19114 15463 12442 24136 3.15_381.30 16578 14101 11929 15437 4.92_887.56 49163 45490 32811 37298 4.87_577.52 629855 600700 489544 603014 4.97_603.53 1091 977 25620 33369 5.55_1533.11 570 493 51451 59986 5.53_792.57 57 216 8487 10263 metabolite_name Retention Time Quantified m/z KEGG ID Pubchem ID 9.71_693.56 _9.70_688.60 9.72 693.5581 _688.6027 6.85_617.51 _6.85_612.56 617.5116612.5562 6.40_641.51 _6.40_636.56 6.42 641.5115 _636.5562 4.80_884.61 4.778 884.6069 6.96_810.68 _6.96_792.676.96_832.66 6.959 810.6817 _792.6711 _832.6636 6.69_972.73 _6.69_994.72 6.693 972.7346 _994.7165 1.68_480.35 1.694 480.3448 4.79_706.54 4.811 706.5378 4.33_704.52 4.322 704.5225 5.12_720.56 5.11 720.5538 5.40_734.57 5.425 734.5691 4.86_732.55 4.878 732.5535 4.43_730.54 4.438 730.5378 4.79_728.52 4.811 728.5222 5.63_748.59 5.64 748.5851 5.16_746.57 5.185 746.57 4.70_744.55 4.721 744.5541 6.05_762.60 6.072 762.6004 5.52_760.59 5.499 760.5904 5.04_758.58 5.019 758.5751 5.80_774.61 5.806 774.6007 5.22_772.59 5.3 772.5854 4.86_770.57 4.861 770.5694 6.13_788.62 6.146 788.6161 5.64_786.60 5.649 786.6004 4.91_782.57 4.927 782.5721 4.54_780.56 4.546 780.5538 5.92_800.62 5.972 800.6161 5.48_798.60 5.425 798.6004 5.22_796.59 5.234 796.5848 4.97_808.58 4.969 808.5848 5.28_768.59 5.284 768.5902 5.19_766.58 5.184 766.5759 5.12_792.59 5.234 792.5902 6.32_746.57 6.337 746.57 5.70_768.56 5.723 768.556 4.91_764.52 4.927 764.5235 6.01_752.56 6.03 752.559 5.41_750.54 5.433 750.5437 10.36_796.74 10.383 796.7389 10.81_829.73 _10.81_824.77 10.806 829.7256 _824.7702 10.38_827.71 _10.38_822.75 10.4 827.7099 _822.7545 9.98_825.69 _9.98_820.74 9.993 825.6943 _820.7389 11.20_857.76 _11.20_852.80 11.212 857.7569 _852.8015 10.80_855.7 _410.80_850.79 10.822 855.7412 _850.7858 10.41_853.73 _10.41_848.77 10.424 853.7256 _848.7702 10.01_851.71 _10.01_846.76 10.018 851.7099 _846.7545 11.56_885.79 _11.56_880.83 11.577 885.7882 _880.8328 10.88_881.76 _10.88_876.80 10.831 881.7569 _876.8015 10.46_879.74 _10.46_874.79 10.474 879.7412 _874.7858 10.09_877.73 _10.09_872.77 10.101 877.7256 _872.7702 10.84_907.77 _10.84_902.82 10.857 907.7725 _902.8171 10.10_903.74 _10.10_898.79 10.126 903.7412 _898.7858 3.44_279.16 3.443 279.1618 3.44_391.29 3.443 391.2899 5.03_865.53 5.035 865.5291 4.86_766.57 4.869 766.5705 5.06_1475.16 5.035 1475.1545 3.45_435.32 3.443 435.3227 3.45_803.55 3.443 803.5461 3.15_381.30 3.161 381.2989 4.92_887.56 4.902 887.5628 4.87_577.52 4.853 577.5168 4.97_603.53 4.994 603.5326 5.55_1533.11 5.533 1533.1061 5.53_792.57 5.549 792.568