"1H2 16O1 ","Water ","16O1 + ", 15.9944, 2.61, 52.77, 2.31E-19, 3.69E-20 "1H2 16O1 ","Water ","1H1 16O1 + ", 17.0022, 23.67, 2.90, 2.31E-19, 3.69E-20 "1H2 16O1 ","Water ","1H2 16O1 + ", 18.0100, 100.00, 0.00, 2.31E-19, 3.69E-20 "12C 16O1 ","Carbon Monoxide ","16O1 + ", 15.9944, 2.20, 5.00, 2.03E-19, 3.25E-20 "12C 16O1 ","Carbon Monoxide ","12C 16O1 + ", 27.9944, 100.00, 0.00, 2.03E-19, 3.25E-20 "12C 16O2 ","Carbon Dioxide ","16O1 + ", 15.9944, 15.57, 27.38, 1.54E-19, 2.46E-20 "12C 16O2 ","Carbon Dioxide ","12C1 16O2 ++ ", 21.9944, 0.06, 99.11, 1.54E-19, 2.46E-20 "12C 16O2 ","Carbon Dioxide ","12C1 16O + ", 27.9944, 12.72, 25.70, 1.54E-19, 2.46E-20 "12C 16O2 ","Carbon Dioxide ","12C1 16O2 + ", 43.9893, 100.00, 0.00, 1.54E-19, 2.46E-20 "12C 1H4 ","Methane ","12C1 1H1 + ", 13.0073, 3.56, 64.82, 8.66E-19, 1.38E-19 "12C 1H4 ","Methane ","12C1 1H2 + ", 14.0151, 5.87, 44.99, 8.66E-19, 1.38E-19 "12C 1H4 ","Methane ","12C1 1H3 + ", 15.0229, 82.25, 20.44, 8.66E-19, 1.38E-19 "12C 1H4 ","Methane ","12C1 1H4 + ", 16.0308, 100.00, 0.00, 8.66E-19, 1.38E-19 "12C2 1H6 ","Ethane ","12C1 1H1 + ", 13.0073, 0.59, 26.83, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C1 1H2 + ", 14.0151, 2.32, 59.56, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C1 1H3 + ", 15.0229, 8.16, 53.88, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 + ", 23.9995, 0.29, 19.81, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 1H1 + ", 25.0073, 2.25, 13.49, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 1H2 + ", 26.0151, 21.59, 21.68, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 1H3 + ", 27.0229, 17.96, 13.88, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 1H4 + ", 28.0308, 100.00, 0.00, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 1H5 + ", 29.0386, 16.26, 6.64, 2.29E-19, 3.66E-20 "12C2 1H6 ","Ethane ","12C2 1H6 + ", 30.0464, 20.10, 16.63, 2.29E-19, 3.66E-20 "12C2 1H4 ","Ethene ","12C 1H1 + ", 13.0073, 2.42, 55.68, 6.91E-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C 1H2 + ", 14.0151, 1.92, 37.72, 6.91e-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C 1H3 + ", 15.0229, 1.33, 71.73, 6.91e-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C2 + ", 23.9995, 2.74, 22.26, 6.91e-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C2 1H1 + ", 25.0073, 12.66, 32.55, 6.91e-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C2 1H2 + ", 26.0151, 56.97, 9.19, 6.91e-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C2 1H3 + ", 27.0229, 45.05, 10.25, 6.91e-20, 1.11E-20 "12C2 1H4 ","Ethene ","12C2 1H4 + ", 28.0308, 100.00, 0.00, 6.91e-20, 1.11E-20 "12C3 1H8 ","Propane ","12C1 1H1 + ", 13.0073, 0.82, 21.86, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C1 1H2 + ", 14.0151, 2.45, 37.11, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C1 1H3 + ", 15.0229, 15.73, 20.60, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C1 1H4 + ", 16.0308, 5.62, 45.59, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C2 + ", 23.9995, 0.36, 21.45, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C2 1H1 + ", 25.0073, 1.54, 26.67, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C2 1H2 + ", 26.0151, 14.74, 9.67, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C2 1H3 + ", 27.0229, 46.37, 19.32, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C2 1H4 + ", 28.0308, 71.66, 12.99, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C2 1H5 + ", 29.0386, 100.00, 0.00, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 + ", 35.9995, 0.03, 37.98, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H1 + ", 37.0073, 0.84, 18.85, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H2 + ", 38.0151, 2.41, 12.18, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H3 + ", 39.0229, 15.32, 33.94, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H4 + ", 40.0308, 2.17, 13.81, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H5 + ", 41.0386, 12.73, 11.03, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H6 + ", 42.0464, 4.67, 10.84, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H7 + ", 43.0542, 26.62, 12.89, 4.16E-19, 6.66E-20 "12C3 1H8 ","Propane ","12C3 1H8 + ", 44.0621, 35.35, 10.24, 4.16E-19, 6.66E-20 "12C4 1H10 ","Butane ","12C1 1H1 + ", 13.0073, 0.75, 16.75, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C1 1H2 + ", 14.0151, 1.50, 12.34, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C1 1H3 + ", 15.0229, 12.68, 21.43, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C1 1H4 + ", 16.0308, 6.58, 24.10, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 + ", 23.9995, 0.61, 33.55, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 1H1 + ", 25.0073, 2.22, 41.24, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 1H2 + ", 26.0151, 13.99, 32.32, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 1H3 + ", 27.0229, 39.39, 11.46, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 1H4 + ", 28.0308, 40.98, 24.15, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 1H5 + ", 29.0386, 43.16, 12.77, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C2 1H6 + ", 30.0464, 0.93, 18.45, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H1 + ", 37.0073, 0.35, 24.43, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H2 + ", 38.0151, 0.92, 26.50, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H3 + ", 39.0229, 9.46, 11.37, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H4 + ", 40.0308, 1.55, 10.42, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H5 + ", 41.0386, 28.5, 19.97, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H6 + ", 42.0464, 15.67, 16.40, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H7 + ", 43.0542, 100.00, 0.00, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C3 1H8 + ", 44.0621, 4.37, 34.35, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H1 + ", 49.0073, 0.09, 20.54, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H2 + ", 50.0151, 0.50, 15.29, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H3 + ", 51.0229, 0.49, 10.76, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H4 + ", 52.0308, 0.17, 17.45, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H5 + ", 53.0386, 0.53, 12.82, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H6 + ", 54.0464, 0.18, 16.53, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H7 + ", 55.0543, 0.63, 20.75, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H8 + ", 56.0621, 0.50, 19.16, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H9 + ", 57.0699, 1.65, 24.40, 5.16E-19, 8.26E-20 "12C4 1H10 ","Butane ","12C4 1H10 + ", 58.0777, 13.77, 24.40, 5.16E-19, 8.26E-20 "12C6 1H14 ","Hexane ","12C1 1H1 + ", 13.0073, 0.60, 5.18, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C1 1H2 + ", 14.0151, 1.90, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C1 1H3 + ", 15.0229, 10.20, 5.01, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C1 1H4 + ", 16.0308, 7.80, 5.01, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 + ", 23.9995, 1.00, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 1H1 + ", 25.0073, 2.90, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 1H2 + ", 26.0151, 13.60, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 1H3 + ", 27.0229, 35.60, 5.40, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 1H4 + ", 28.0308, 10.00, 5.07, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 1H5 + ", 29.0386, 36.00, 5.55, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C2 1H6 + ", 30.0464, 0.80, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 + ", 35.9995, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H1 + ", 37.0073, 0.40, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H2 + ", 38.0151, 0.80, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H3 + ", 39.0229, 12.40, 5.04, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H4 + ", 40.0308, 2.60, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H5 + ", 41.0386, 100.00, 0.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H6 + ", 42.0464, 39.30, 5.08, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C3 1H7 + ", 43.0542, 75.50, 5.14, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 + ", 47.9995, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H1 + ", 49.0073, 0.40, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H2 + ", 50.0151, 1.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H3 + ", 51.0229, 0.60, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H4 + ", 52.0308, 0.20, 5.01, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H5 + ", 53.0386, 1.50, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H6 + ", 54.0464, 0.80, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H7 + ", 55.0543, 5.30, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H8 + ", 56.0621, 48.30, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C4 1H9 + ", 57.0699, 84.70, 5.23, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H5 + ", 65.0386, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H6 + ", 66.0464, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H7 + ", 67.0542, 0.20, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H8 + ", 68.0621, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H9 + ", 69.0699, 0.40, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H10 + ", 70.0777, 1.40, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H11 + ", 71.0855, 7.40, 5.02, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C5 1H12 + ", 72.0934, 0.40, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C6 1H5 + ", 77.0386, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C6 1H6 + ", 78.0464, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C6 1H7 + ", 79.0542, 0.10, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C6 1H12 + ", 84.0934, 0.50, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C6 1H13 + ", 85.1012, 0.80, 5.00, 1.22E-18, 1.95E-19 "12C6 1H14 ","Hexane ","12C6 1H14 + ", 86.1090, 45.80, 6.92, 1.22E-18, 1.95E-19 "12C7 1H8 ","Toluene ","12C1 1H1 + ", 13.0073, 1.11, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C1 1H2 + ", 14.0151, 0.63, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C1 1H3 + ", 15.0229, 2.69, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C1 1H4 + ", 16.0308, 2.19, 5.04, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C2 + ", 23.9995, 0.93, 5.14, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C2 1H1 + ", 25.0072, 2.82, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C2 1H2 + ", 26.0151, 11.28, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C2 1H3 + ", 27.0229, 5.46, 5.21, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C2 1H4 + ", 28.0308, 0.53, 5.02, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C2 1H5 + ", 29.0386, 0.03, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H1 + ", 37.0073, 0.75, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H2 + ", 38.0151, 2.67, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H3 + ", 39.0229, 20.6, 5.17, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H4 + ", 40.0308, 2.95, 5.63, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H5 + ", 41.0386, 2.78, 5.02, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H6 + ", 42.0464, 0.16, 5.01, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C3 1H8 + ", 44.0621, 0.15, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","12C4 + ", 47.9995, 0.11, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H1 + ", 49.0073, 0.68, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H2 + ", 50.0151, 6.81, 5.02, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H3 + ", 51.0229, 11.3, 5.02, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H4 + ", 52.0308, 3.77, 5.01, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H5 + ", 53.0386, 1.27, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H6 + ", 54.0464, 0.08, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C4 1H10 + ", 58.0777, 2.47, 7.86, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H1 + ", 61.0073, 0.34, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H2 + ", 62.0151, 2.10, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H3 + ", 63.0229, 6.88, 5.01, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H4 + ", 64.0308, 1.62, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H5 + ", 65.0386, 12.91, 5.07, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H6 + ", 66.0464, 1.24, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C5 1H7 + ", 67.0542, 0.04, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 + ", 71.9995, 0.27, 5.04, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H1 + ", 73.0073, 0.15, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H2 + ", 74.0151, 1.50, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H3 + ", 75.0229, 1.10, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H4 + ", 76.0308, 1.00, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H5 + ", 77.0386, 3.03, 0.23, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H6 + ", 78.0464, 8.41, 1.38, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H7 + ", 79.0542, 0.52, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C6 1H8 + ", 80.0621, 0.01, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H1 + ", 85.0073, 0.09, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H2 + ", 86.0151, 0.56, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H3 + ", 87.0229, 0.62, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H4 + ", 88.0308, 0.13, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H5 + ", 89.0386, 6.71, 5.04, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H6 + ", 90.0464, 2.72, 5.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H7 + ", 91.0542, 100.00, 0.00, 2.05E-19, 3.28E-20 "12C7 1H8 ","Toluene ","C7 1H8 + ", 92.0621, 76.71, 5.69, 2.05E-19, 3.28E-20 "28N2 ","Nitrogen ","14N1 + ", 14.0025, 5.23, 20.63, 1.99E-19, 3.18E-20 "28N2 ","Nitrogen ","14N2 + ", 28.0056, 100.00, 0.00, 1.99E-19, 3.18E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C1 1H1 + ", 13.0073, 4.91, 0.19, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","14N1 + ", 14.0025, 55.71, 0.80, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C1 1H2 + ", 14.0151, 31.68, 0.55, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C1 1H3 + ", 15.0229, 8.50, 0.10, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C2 + ", 23.9995, 0.73, 0.02, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C2 1H1 + ", 25.0073, 1.75, 0.01, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C1 14N1 + ", 26.0025, 3.26, 0.08, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C2 14N1 + ", 38.0025, 8.61, 0.08, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C2 1H1 14N1 + ", 39.0104, 24.26, 4.83, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C2 1H2 14N1 + ", 40.0182, 60.20, 2.24, 3.11E-19, 4.98E-20 "12C1 1H3 12C1 14N1 ","Acetonitrile ","12C2 1H3 14N1 + ", 41.0260, 100.00, 0.00, 3.11E-19, 4.98E-20 "12C1 1H4 16O1 ","Methanol ","12C1 1H1 + ", 13.0073, 5.08, 0.72, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","12C1 1H2 + ", 14.0151, 2.67, 4.96, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","12C1 1H3 + ", 15.0229, 100.00, 0.00, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","16O1 + ", 15.9944, 0.01, 0.83, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","16O1 1H1 + ", 17.0022, 1.96, 1.14, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","12C1 16O1 + ", 27.9944, 15.51, 2.44, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","1H1 12C1 16O1 + ", 29.0022, 46.36, 3.58, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","1H2 12C1 16O1 + ", 30.0100, 8.40, 1.34, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","1H3 12C1 16O1 + ", 31.0178, 54.08, 5.63, 6.90E-19, 1.10E-19 "12C1 1H4 16O1 ","Methanol ","12C1 1H4 16O1 + ", 32.0257, 35.04, 3.09, 6.90E-19, 1.10E-19 "12C5 1H12 ","Pentane ","12C1 1H1 + ", 13.0073, 0.86, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C1 1H2 + ", 14.0151, 0.93, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C1 1H3 + ", 15.0229, 8.30, 5.27, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C1 1H4 + ", 16.0308, 5.38, 5.25, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 + ", 23.9995, 0.67, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 1H1 + ", 25.0073, 2.23, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 1H2 + ", 26.0151, 9.70, 5.27, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 1H3 + ", 27.0229, 29.39, 5.46, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 1H4 + ", 28.0308, 9.38, 5.26, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 1H5 + ", 29.0386, 19.89, 5.34, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C2 1H6 + ", 30.0464, 0.81, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 + ", 35.9995, 0.06, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H1 + ", 37.0073, 0.31, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H2 + ", 38.0151, 0.70, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H3 + ", 39.0229, 11.79, 5.28, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H4 + ", 40.0308, 2.91, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H5 + ", 41.0386, 46.84, 5.79, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H6 + ", 42.0464, 68.77, 6.36, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H7 + ", 43.0542, 100.00, 0.00, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C3 1H8 + ", 44.0621, 4.07, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 + ", 47.9995, 0.03, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H1 + ", 49.0073, 0.16, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H2 + ", 50.0151, 0.49, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H3 + ", 51.0229, 0.44, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H4 + ", 52.0308, 0.23, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H5 + ", 53.0386, 1.01, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H6 + ", 54.0464, 0.33, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H7 + ", 55.0542, 3.14, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H8 + ", 56.0621, 2.79, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H9 + ", 57.0699, 12.29, 5.28, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C4 1H10 + ", 58.0777, 0.56, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H3 + ", 63.0229, 0.03, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H5 + ", 65.0386, 0.08, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H6 + ", 66.0464, 0.03, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H7 + ", 67.0542, 0.09, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H8 + ", 68.0621, 0.02, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H9 + ", 69.0697, 0.08, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H10 + ", 70.0777, 0.41, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H11 + ", 71.0855, 1.17, 5.24, 6.17E-20, 9.87E-21 "12C5 1H12 ","Pentane ","12C5 1H12 + ", 72.0934, 28.04, 5.46, 6.17E-20, 9.87E-21 "12C8 1H18 ","Octane ","12C1 1H1 + ", 13.0073, 2.44, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C1 1H2+ ", 14.0151, 3.83, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C1 1H3+ ", 15.0239, 11.22, 5.27, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C1 1H4+ ", 16.0308, 8.13, 5.25, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 + ", 23.9995, 1.32, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 1H1 + ", 25.0073, 4.57, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 1H2 + ", 26.0151, 7.56, 5.31, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 1H3 + ", 27.0229, 24.4, 5.38, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 1H4 + ", 28.0308, 8.89, 5.25, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 1H5 + ", 29.0386, 7.06, 5.42, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C2 1H6 + ", 30.0464, 0.79, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 + ", 35.9995, 0.03, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H1 + ", 37.0073, 0.43, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H2 + ", 38.0151, 0.99, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H3 + ", 39.0229, 9.90, 5.25, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H4 + ", 40.0308, 3.11, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H5 + ", 41.0386, 3.55, 5.71, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H6 + ", 42.0464, 1.71, 5.36, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H7 + ", 43.0542, 100.00, 0.00, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C3 1H8 + ", 44.0621, 4.13, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4 + ", 47.9995, 0.04, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H1 + ", 49.0073, 0.30, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H2 + ", 50.0151, 1.33, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H3 + ", 51.0229, 0.99, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H4 + ", 52.0308, 0.30, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H5 + ", 53.0386, 1.35, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H6 + ", 54.0464, 0.92, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H7 + ", 55.0543, 9.94, 5.25, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H8 + ", 56.0621, 19.0, 5.32, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4H9 + ", 57.0699, 29.6, 5.45, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C4 1H10 + ", 58.0777, 1.32, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H3 + ", 63.0229, 0.01, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H4 + ", 64.0308, 0.02, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H5 + ", 65.0386, 0.04, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H6 + ", 66.0464, 0.02, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H7 + ", 67.0542, 0.19, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H8 + ", 68.0621, 0.08, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H9 + ", 69.0699, 1.05, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H10 + ", 70.0777, 23.8, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H11 + ", 71.0855, 34.5, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C5 1H12 + ", 72.0934, 2.37, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H2 + ", 74.0151, 0.01, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H5 + ", 77.0386, 0.03, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H6 + ", 78.0464, 0.08, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H7 + ", 79.0543, 0.06, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H8 + ", 80.0621, 0.01, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H9 + ", 81.0699, 0.01, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H10 + ", 82.0777, 0.10, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H11 + ", 83.0855, 0.40, 5.27, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H12 + ", 84.0934, 12.77, 5.62, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H13 + ", 85.1018, 39.33, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C6 1H14 + ", 86.1090, 2.48, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C7 1H7 + ", 91.0542, 0.02, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C7 1H8 + ", 92.0621, 0.01, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C7 1H13 + ", 97.1012, 0.02, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C7 1H14 + ", 98.1090, 0.02, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C7 1H15 + ", 99.1168, 0.02, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C7 1H16 + ", 100.1247, 0.03, 5.25, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C8 1H16 + ", 112.1247, 0.04, 5.23, 2.56E-20, 4.10E-21 "12C8 1H18 ","Octane ","12C8 1H18 + ", 114.1403, 8.58, 5.23, 2.56E-20, 4.10E-21 "12C7 1H16 ","Heptane ","12C1 1H1 + ", 13.0072, 1.02, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C1 1H2 + ", 14.0151, 1.77, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C1 1H3 + ", 15.0229, 8.47, 5.20, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C1 1H4 + ", 16.0308, 4.36, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C2 + ", 23.9995, 0.42, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C2 1H1 + ", 25.0079, 1.34, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C2 1H2 + ", 26.0151, 5.87, 5.19, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C2 1H3 + ", 27.0229, 25.36, 5.34, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C2 1H4 + ", 28.0308, 6.75, 5.19, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C2 1H5 + ", 29.0386, 30.02, 5.41, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H1 + ", 37.0073, 0.18, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H2 + ", 38.0151, 0.39, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H3 + ", 39.0229, 10.95, 5.21, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H4 + ", 40.0308, 2.69, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H5 + ", 41.0386, 46.25, 5.70, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H6 + ", 42.0464, 27.15, 5.37, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C3 1H7 + ", 43.0542, 100.00, 0.00, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H2 + ", 50.0151, 0.21, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H3 + ", 51.0229, 0.28, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H4 + ", 52.0308, 0.17, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H5 + ", 53.0386, 1.34, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H6 + ", 54.0464, 0.66, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H7 + ", 55.0543, 9.91, 5.21, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H8 + ", 56.0621, 26.87, 5.36, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H9 + ", 57.0699, 36.78, 5.52, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C4 1H10 + ", 58.0777, 1.51, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H5 + ", 65.0386, 0.11, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H7 + ", 67.0542, 0.16, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H8 + ", 68.0620, 0.07, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H9 + ", 69.0699, 0.45, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H10 + ", 70.0777, 31.44, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H11 + ", 71.0855, 55.99, 5.93, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C5 1H12 + ", 72.0935, 3.09, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H5 + ", 77.0386, 0.08, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H6 + ", 78.0464, 0.04, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H7 + ", 79.0542, 0.08, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H9 + ", 81.0699, 0.06, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H11 + ", 83.0855, 0.15, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H12 + ", 84.0934, 0.31, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H13 + ", 85.1012, 2.44, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C6 1H14 + ", 86.1090, 0.17, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C7 1H14 + ", 98.1090, 0.17, 5.18, 2.61E-20, 4.17E-21 "12C7 1H16 ","Heptane ","12C7 1H16 + ", 100.1247, 18.96, 5.27, 2.61E-20, 4.17E-21 "14N1 1H3 ","Ammonia ","14N1 + ", 14.0025, 2.70, 5.00, 4.57E-19, 4.84E-20 "14N1 1H3 ","Ammonia ","14N1 1H1 + ", 15.0106, 3.70, 5.00, 4.57E-19, 4.84E-20 "14N1 1H3 ","Ammonia ","14N1 1H2 + ", 16.0182, 79.10, 5.00, 4.57E-19, 4.84E-20 "14N1 1H3 ","Ammonia ","14N1 1H3 + ", 17.0260, 100.00, 0.00, 4.57E-19, 4.84E-20 "12C2 1H6 12O1 ","Acetone ","12C1 1H1 + ", 13.0073, 01.44, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 1H2 + ", 14.0151, 11.80, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 1H3 + ", 15.0229, 94.00, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","16O1 + ", 15.9944, 03.38, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 1H4 + ", 16.0308, 02.15, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","16O1 1H1 + ", 17.0022, 0.82, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 + ", 23.9995, 0.27, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 1H1 + ", 25.0079, 0.85, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 1H2 + ", 26.0151, 5.56, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 1H3 + ", 27.0229, 4.25, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 16O1 + ", 27.9944, 14.72, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 1H4 + ", 28.0308, 0.95, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 16O1 1H1 + ", 29.0022, 1.17, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 1H5 + ", 29.0386, 0.63, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 16O1 1H2 + ", 30.0100, 0.08, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C1 16O1 1H3 + ", 31.0178, 0.22, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 + ", 35.9995, 0.03, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 1H1 + ", 37.0073, 0.38, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 1H2 + ", 38.0151, 0.89, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 1H3 + ", 39.0229, 1.91, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 16O1 + ", 39.9948, 0.05, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 1H4 + ", 40.0318, 0.76, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 16O1 1H1 + ", 41.0023, 0.74, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 1H5 + ", 41.0386, 0.52, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 16O1 1H2 + ", 42.0100, 4.61, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 1H6 + ", 42.0464, 0.11, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 16O1 1H3 + ", 43.0178, 100.00, 0.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C2 16O2 1H5 + ", 61.0284, 0.02, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 16O1 1H1 + ", 53.0022, 0.14, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 16O1 1H2 + ", 54.0100, 0.02, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 16O1 1H3 + ", 55.0178, 0.17, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 16O1 1H4 + ", 56.0257, 0.01, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 16O1 1H5 + ", 57.0335, 0.44, 5.00, 3.47E-20, 5.55E-20 "12C2 1H6 12O1 ","Acetone ","12C3 16O1 1H6 + ", 58.0413, 16.63, 5.00, 3.47E-20, 5.55E-20 "1H2 32S1 ","Hydrogen Sulphide ","32S1 + ", 31.9715, 40.60, 5.00, 7.03E-20, 1.12E-20 "1H2 32S1 ","Hydrogen Sulphide ","1H1 32S1 + ", 32.9793, 34.80, 5.00, 7.03E-20, 1.12E-20 "1H2 32S1 ","Hydrogen Sulphide ","1H2 32S1 + ", 33.9872, 100.00, 0.00, 7.03E-20, 1.12E-20 "12C2 1H6 16O1 ","Ethanol ","12C1 1H1 + ", 13.0073, 4.84, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C1 1H2 + ", 14.0151, 23.99, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C1 1H3 + ", 15.0229, 40.93, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","16O1 + ", 15.9944, 34.98, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","16O1 1H1 + ", 17.0022, 12.35, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","1H2 16O1 + ", 18.0100, 53.16, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","1H3 16O1 + ", 19.0178, 4.22, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 + ", 23.9995, 1.16, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H1 + ", 25.0073, 3.95, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H2 + ", 26.0151, 13.22, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H3 + ", 27.0229, 18.45, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C1 16O1 + ", 27.9944, 100.00, 0.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H4 + ", 28.0308, 7.32, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","1H1 12C1 16O1 + ", 29.0022, 15.34, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H5 + ", 29.0386, 3.45, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","1H2 12C1 16O1 + ", 30.0100, 3.86, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","1H3 12C1 16O1 + ", 31.0178, 52.47, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 16O1 + ", 39.9944, 0.15, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H1 16O1 + ", 41.0022, 0.87, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H2 16O1 + ", 42.0100, 3.98, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H3 16O1 + ", 43.0178, 9.83, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H4 16O1 + ", 44.0257, 3.84, 5.00, 3.13E-19, 5.10E-20 "12C2 1H6 16O1 ","Ethanol ","12C2 1H5 16O1 + ", 45.0335, 31.28, 5.00, 3.13E-19, 1.82e-21 "12C2 1H6 16O1 ","Ethanol ","12C2 1H6 16O1 + ", 46.0413, 14.04, 5.00, 3.13E-19, 1.82e-21 "84Kr1 ","Krypton ","78Kr + ", 77.9198, 0.62, 5.00, 4.04E-19, 6.46E-20 "84Kr1 ","Krypton ","80Kr + ", 79.9158, 4.00, 5.00, 4.04E-19, 6.46E-20 "84Kr1 ","Krypton ","82Kr + ", 81.9129, 20.20, 5.00, 4.04E-19, 6.46E-20 "84Kr1 ","Krypton ","83Kr + ", 82.9138, 20.30, 5.00, 4.04E-19, 6.46E-20 "84Kr1 ","Krypton ","84Kr + ", 83.9109, 100.00, 0.00, 4.04E-19, 6.46E-20 "84Kr1 ","Krypton ","86Kr + ", 85.9100, 30.20, 7.81, 4.04E-19, 6.46E-20 "36Ar1 ","Argon ","36Ar + ", 35.9670, 0.32, 7.81, 2.05E-19, 3.28E-20 "36Ar1 ","Argon ","38Ar + ", 37.9622, 0.06, 9.22, 2.05E-19, 3.28E-20 "36Ar1 ","Argon ","40Ar + ", 39.9618, 100.00, 0.00, 2.05E-19, 3.28E-20 "20Ne1 ","Neon ","20Ne + ", 19.9919, 100.00, 0.00, 3.55E-20, 5.68E-20 "20Ne1 ","Neon ","21Ne + ", 20.9933, 0.30, 8.60, 3.55E-20, 5.68E-20 "20Ne1 ","Neon ","22Ne + ", 21.99084, 10.7, 7.07, 3.55E-20, 5.68E-20 "132Xe1 ","Xenon ","124Xe + ", 123.9053, 0.32, 16.76, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","126Xe + ", 125.9037, 0.33, 16.76, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","128Xe + ", 127.9030, 7.09, 8.60, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","129Xe + ", 128.9042, 97.60, 7.07, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","130Xe + ", 129.9030, 14.80, 7.81, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","131Xe + ", 130.9045, 79.70, 7.07, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","132Xe + ", 131.9036, 100.00, 0.00, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","134Xe + ", 133.9048, 38.40, 7.81, 1.56E-19, 2.50E-20 "132Xe1 ","Xenon ","136Xe + ", 135.9067, 32.50, 7.81, 1.56E-19, 2.50E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H1 + ", 13.0073, 2.53, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H2 + ", 14.0151, 10.73, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H3 + ", 15.0229, 0.38, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","16O1 + ", 15.9944, 0.83, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H4 + ", 16.0308, 6.96, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","16O1 1H1 + ", 17.0022, 9.18, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","16O1 1H3 + ", 19.0178, 7.60, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 + ", 23.9995, 0.63, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H1 + ", 25.0073, 2.37, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H2 + ", 26.0151, 12.44, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H3 + ", 27.0229, 18.71, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H4 + ", 28.0308, 5.26, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 16O1 + ", 27.9944, 19.61, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H1 16O1 + ", 29.0022, 7.05, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H5 + ", 29.0386, 4.66, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H2 16O1 + ", 30.0100, 4.19, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H6 + ", 30.0464, 0.13, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H3 16O1 + ", 31.0178, 100.00, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C1 1H4 16O1 + ", 32.0256, 1.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 + ", 35.9995, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H1 + ", 37.0073, 0.09, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H2 + ", 38.0151, 0.13, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H3 + ", 39.0229, 0.40, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 16O1 + ", 39.9944, 0.14, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H4 + ", 40.0308, 0.34, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 16O1 1H1 + ", 41.0022, 0.77, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H5 + ", 41.0386, 0.41, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H2 16O1 + ", 42.0100, 2.99, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H6 + ", 42.0464, 0.20, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H3 16O1 + ", 43.0178, 10.03, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H7 + ", 43.0542, 0.75, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H4 16O1 + ", 44.0256, 2.22, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H8 + ", 44.0621, 0.25, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H5 16O1 + ", 45.0335, 46.94, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C2 1H6 16O1 + ", 46.0413, 26.74, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H2 16O1 + ", 53.0021, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H3 16O1 + ", 55.0178, 0.02, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H4 16O1 + ", 56.0246, 0.02, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H5 16O1 + ", 57.0335, 0.11, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H6 16O1 + ", 58.0413, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H1 16O2 + ", 68.9971, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H2 16O2 + ", 70.0049, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H3 16O2 + ", 71.0128, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H5 16O2 + ", 73.0284, 0.04, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H6 16O2 + ", 74.0362, 0.02, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H7 16O2 + ", 75.0441, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H8 16O2 + ", 76.0519, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H7 16O3 + ", 91.0400, 0.02, 5.00, 2.14E-19, 3.42E-20 "12C3 1H8 16O3 ","Glycerol ","12C3 1H8 16O3 + ", 92.0478, 0.01, 5.00, 2.14E-19, 3.42E-20 "12C4 1H10 16O1 ","Butanol ","12C1 1H1 + ", 13.0073, 2.90, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H2 + ", 14.0151, 8.36, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H3 + ", 15.0229, 38.15, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16O1 + ", 15.9944, 5.75, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H4 + ", 16.0308, 14.40, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16O1 1H1 + ", 17.0022, 70.38, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16O1 1H3 + ", 19.0178, 6.55, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16C2 + ", 23.9995, 0.38, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16C2 1H1 + ", 25.0073, 1.28, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16C2 1H2 + ", 26.0151, 3.60, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16C2 1H3 + ", 27.0229, 53.78, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 16O1 + ", 27.9944, 26.26, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","16C2 1H4 + ", 28.0308, 11.56, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H1 16O1 + ", 29.0022, 3.86, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 1H5 + ", 29.0386, 3.57, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H2 16O1 + ", 30.0100, 3.08, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 1H6 + ", 30.0464, 0.35, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H3 16O1 + ", 31.0178, 100.00, 0.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C1 1H4 16O1 + ", 32.0257, 0.26, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 + ", 35.9995, 0.08, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H1 + ", 37.0073, 1.07, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H2 + ", 38.0151, 1.19, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H3 + ", 39.0229, 10.02, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 16O1 + ", 39.9944, 0.08, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H4 + ", 40.0308, 4.19, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 16O1 1H1 + ", 41.0022, 0.62, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H5 + ", 41.0386, 65.33, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 1H2 16O1 + ", 42.0100, 2.09, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H6 + ", 42.0464, 18.91, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 1H3 16O1 + ", 43.0178, 8.55, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H7 + ", 43.0542, 52.09, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 1H4 16O1 + ", 44.0256, 3.14, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H8 + ", 44.0621, 1.41, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C2 1H6 16O1 + ", 46.0413, 9.20, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 + ", 47.9995, 0.13, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H1 + ", 49.0073, 0.46, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H2 + ", 50.0151, 1.20, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H3 + ", 51.0229, 0.63, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H4 + ", 52.0308, 0.45, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H2 16O1 + ", 53.0021, 0.02, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H5 + ", 53.0386, 1.15, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H6 + ", 54.0464, 0.65, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H3 16O1 + ", 55.0178, 0.28, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H7 + ", 55.0543, 7.69, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H8 + ", 56.0621, 53.22, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H5 16O1 + ", 57.0335, 1.09, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H9 + ", 57.0699, 3.47, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C3 1H6 16O1 + ", 58.0413, 0.14, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H7 16O1 + ", 71.0491, 0.49, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H8 16O1 + ", 72.0567, 1.11, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H9 16O1 + ", 73.0648, 1.78, 5.00, 7.61E-19, 1.12E-19 "12C4 1H10 16O1 ","Butanol ","12C4 1H10 16O1 + ", 74.0726, 1.13, 5.00, 7.61E-19, 1.12E-19 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H1 + ", 13.0073, 10.07, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H2 + ", 14.0151, 23.68, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H3 + ", 15.0229, 100.00, 0.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","16O1 + ", 15.9944, 36.50, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H4 + ", 16.0308, 20.47, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","16O1 1H3 + ", 19.0178, 41.21, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 + ", 23.9995, 5.73, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H1 + ", 25.0073, 18.70, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H2 + ", 26.0151, 64.55, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H3 + ", 27.0229, 62.48, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H4 + ", 28.0308, 25.86, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H1 16O1 + ", 29.0026, 68.05, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H5 + ", 29.0386, 17.59, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H2 16O1 + ", 30.0100, 12.97, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H6 + ", 30.0464, 1.10, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H3 16O1 + ", 31.0178, 81.14, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C1 1H4 16O1 + ", 32.0256, 0.64, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 + ", 35.9995, 0.23, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H1 + ", 37.0073, 1.33, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H2 + ", 38.0151, 2.20, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H3 + ", 39.0229, 10.22, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 16O1 + ", 39.9944, 3.89, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H4 + ", 40.0308, 8.23, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H1 16O1 + ", 41.0022, 1.78, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","C3 1H5 + ", 41.0386, 20.50, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","C2 1H2 16O1 + ", 42.0100, 11.25, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H6 + ", 42.0464, 30.66, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H3 16O1 + ", 43.0178, 46.40, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H7 + ", 43.0542, 17.21, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H4 16O1 + ", 44.0256, 20.20, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H8 + ", 44.0621, 60.62, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H6 16O1 + ", 46.0413, 18.68, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H2 16O1 + ", 53.0021, 0.19, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H3 16O1 + ", 55.0178, 2.93, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H4 16O1 + ", 56.0246, 2.02, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H5 16O1 + ", 57.0335, 5.42, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H6 16O1 + ", 58.0413, 3.16, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H3 16O2 + ", 59.0127, 0.95, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H4 16O2 + ", 60.0205, 0.21, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C2 1H6 16O2 + ", 62.0236, 0.10, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H1 16O2 + ", 68.9971, 1.11, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H2 16O2 + ", 70.0049, 0.02, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H3 16O2 + ", 71.0128, 0.43, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H4 16O2 + ", 72.0206, 1.20, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H5 16O2 + ", 73.0284, 1.16, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H6 16O2 + ", 74.0362, 1.08, 5.00, 2.83E-19, 7.26E-20 "12C3 1H8 16O3 ","Propylene Glycol ","12C3 1H8 16O2 + ", 76.0519, 4.12, 5.00, 2.83E-19, 7.26E-20