metabolite_name c1 c2 c3 c4 c5 c6 h1 h2 h3 h4 h5 h6 m1 m2 m3 m4 m5 m6 hm1 hm2 hm3 hm4 hm5 hm6 Methyl Chloride 2.61 1.72 3.1 0.412 0.246 0.159 2.56434 1.37297 3.4969 3.99687 1.46855 6.32169 -5.6E-11 1.95E-11 -3.2E-11 6E-10 1.49E-10 1.19E-09 -1.72E-09 1.49E-10 1.22E-09 -5.98E-10 3.74E-09 -1.59E-10 Methyl Bromide 0.0688 0.0374 0.164 -0.0044 -0.00218 0.0562 -0.32024 -0.21665 -0.4076 -0.68796 -0.25646 -0.35911 -3.1E-12 -5E-11 -1.6E-11 2.73E-11 2E-13 5.77E-11 5.2E-10 2E-13 -4.98E-11 5.19E-12 5.67E-11 -5.47E-11 Methyl Iodide -0.25 -0.435 -0.0682 -0.294 -0.415 -0.898 -0.55367 -0.26582 -0.6111 -1.1995 -0.38518 0.368757 1.11E-09 4.23E-10 1.34E-09 3.59E-10 2.34E-10 3.38E-10 3.18E-10 2.34E-10 7.88E-11 1.92E-10 1.08E-11 -5.23E-12 Dimethyl Sulfide 0.323 0.242 0.625 0.354 0.0873 0.0747 0.20453 0.110079 0.22562 0.335932 0.141956 0.268028 -5.1E-11 1.84E-11 3.16E-11 5.27E-11 -2.9E-11 -3.4E-10 0 -2.9E-11 4.16E-11 -3.88E-11 -9.85E-10 -3.64E-09 Isoprene 0.428 0.32 -0.0481 -0.104 -0.154 0.118 0.481835 0.0738151 0.70204 -0.059799 0.441715 0.0932868 -2.3E-10 2.02E-11 9.96E-10 1.65E-10 -2.3E-09 1.57E-09 -4.71E-11 -2.3E-09 -1.89E-10 -1.55E-12 1.49E-10 2.09E-10 Chloroform -0.104 -0.451 -0.101 -0.62 -0.412 -0.0302 2.30228 1.66244 1.8918 3.25423 1.19027 1.24022 -1.3E-10 4.51E-11 -2.5E-11 -7.4E-11 9.09E-11 -4.9E-10 -1.11E-11 9.09E-11 -6.24E-10 -1.62E-11 1.1E-09 -1.39E-09 Acetone -49.9 116 -35.5 -7.34 -10.4 7.99 19.5694979 -65.161592 8.946913405 50.24965166 3.639117249 -5.562833308 0.000000104 0.000000106 8.23E-08 7.72425E-08 7.22105E-08 1.11894E-07 -9.21E-10 1.22E-09 1.87E-09 -2.08E-10 -9.91E-10 -2.71E-09 2 methyl pentane 1.13 0.0944 0.0303 -0.595 0.123 -0.0467 0.662050292 0.779027602 0.384966679 0.472956307 -0.121430636 -0.801541663 -1.01E-10 8.54E-10 -9E-11 5.66E-10 5.07E-10 5.21E-10 -4.25E-10 2.49E-10 -6.85E-09 -6.56E-10 3.39E-10 -2.31E-10 3 methyl pentane -2 23.3 0.898 -0.138 -1.44 4.16 13.03386692 -5.978676072 0.903350139 -20.0137048 73.69060466 -3.332717179 3.99E-10 3.81E-09 3.38E-09 8.64E-10 -8.24E-11 -1.34E-09 -2.68E-09 1.67E-09 -6.4E-09 1.25E-09 1.98E-09 -3.58E-09 n-hexane 0.269 0.402 1.98 1.22 5.97 16.9 -53.0481823 -39.6221829 -39.4898174 -38.2154298 -62.07532572 -39.84857404 -6.82E-11 1.35E-09 -1.57E-09 2.66E-09 -1.39E-09 4.72E-11 -4.39E-09 1.82E-10 -3.15E-09 -1.46E-09 1.92E-10 1.75E-10 Styrene ND ND ND ND ND ND 3.34E-08 1.52E-08 8.6E-09 2.15E-08 1.23E-08 ND ND ND ND ND ND ND 3.48E-09 -4.03E-09 -2.2E-09 0 0 0 metabolite_name Pubchem ID Methyl Chloride 6327 Methyl Bromide 6323 Methyl Iodide 6328 Dimethyl Sulfide 1068 Isoprene 6557 Chloroform 6212 Acetone 180 2 methyl pentane 7892 3 methyl pentane 7282 n-hexane 8058 Styrene 7501