"1H2 16O1 ","Water ","1H1 + ", 1.0073, 13.02, 0.91, 6.80, 1.34, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "1H2 16O1 ","Water ","1H2 + ", 2.0151, 0.80, 0.30, 0.09, 0.08, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "1H2 16O1 ","Water ","16O1 + ", 15.9944, 1.34, 0.82, 1.15, 0.06, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "1H2 16O1 ","Water ","1H1 16O1 + ", 17.0022, 23.34, 1.03, 23.73, 0.42, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "1H2 16O1 ","Water ","1H2 16O1 + ", 18.0100, 100.00, 2.70, 100.00, 0.80, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "1H2 16O1 ","Water ","1H1 2D1 16O1 + ", 19.0163, 0.61, 0.15, 0.54, 0.04, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "1H2 16O1 ","Water ","1H2 18O1 + ", 20.0143, 0.27, 0.06, 0.29, 0.02, 5.88E-23, 9.00E-24, 5.73E-21, 9.00E-23 "12C1 16O ","Carbon monoxide ","12C1 + ", 11.9995, 3.31, 0.57, 0.77, 0.02, 9.12E-23, 8.90E-24, 5.03E-21, 8.00E-23 "12C1 16O ","Carbon monoxide ","16O1 + ", 15.9944, 0.46, 0.15, 0.08, 0.04, 9.12E-23, 8.90E-24, 5.03E-21, 8.00E-23 "12C1 16O ","Carbon monoxide ","12C1 16O1 + ", 27.9944, 100.00, 5.10, 100.00, 1.40, 9.12E-23, 8.90E-24, 5.03E-21, 8.00E-23 "12C1 16O ","Carbon monoxide ","13C1 16O1 + ", 28.9977, 1.14, 0.22, 1.21, 0.05, 9.12E-23, 8.90E-24, 5.03E-21, 8.00E-23 "12C1 16O2 ","Carbon dioxide ","12C1 + ", 11.9995, 0.44, 0.02, 1.20, 0.10, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","16O1 + ", 15.9944, 10.45, 0.24, 5.07, 0.22, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","12C1 16O2 ++ ", 21.9944, 0.25, 0.07, 0.75, 0.05, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","12C1 16O1 + ", 27.9944, 9.73, 0.25, 3.86, 0.21, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","13C1 16O1 + ", 28.9977, 0.19, 0.03, 0.06, 0.08, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","12C1 16O2 + ", 43.9893, 100.00, 2.50, 100.00, 2.20, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","13C1 16O2 + ", 44.9926, 1.23, 0.12, 1.35, 0.14, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "12C1 16O2 ","Carbon dioxide ","12C1 16O1 18O1 + ", 46.0049, 0.38, 0.07, 0.39, 0.07, 1.40E-23, 2.00E-25, 6.84E-21, 1.00E-23 "He ","Helium ","4He + ", 4.0021, 100.00, 0.00, 100.00, 0.00, 1.40E-24, 3.94E-25, 2.00E-22, 1.32E-23 "Ne ","Neon ","20Ne + ", 19.9919, 100.00, 1.70, 100.00, 1.30, 1.73E-23, 4.84E-24, 3.61E-22, 3.49E-23 "Ne ","Neon ","21Ne + ", 20.9933, 0.34, 0.08, 0.27, 0.06, 1.73E-23, 4.84E-24, 3.61E-22, 3.49E-23 "Ne ","Neon ","22Ne + ", 21.9908, 10.94, 0.88, 10.72, 1.02, 1.73E-23, 4.84E-24, 3.61E-22, 3.49E-23 "Ar ","Argon ","40Ar ++ ", 19.9806, 1.13, 0.02, 6.58, 0.08, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Ar ","Argon ","36Ar + ", 35.9670, 0.26, 0.06, 0.31, 0.03, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Ar ","Argon ","38Ar + ", 37.9622, 0.05, 0.02, 0.05, 0.01, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Ar ","Argon ","40Ar + ", 39.9618, 100.00, 2.50, 100.00, 1.60, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Kr ","Krypton ","82Kr ++ ", 40.9562, 0.03, 0.02, 3.03, 0.28, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Kr ","Krypton ","83Kr ++ ", 41.4565, 0.04, 0.02, 2.80, 0.21, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Kr ","Krypton ","84Kr ++ ", 41.9552, 0.14, 0.06, 15.11, 0.78, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Kr ","Krypton ","86Kr ++ ", 42.9548, 0.05, 0.02, 4.46, 0.37, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Kr ","Krypton ","80Kr + ", 79.9158, 4.23, 0.09, 4.03, 0.27, 1.09E-22, 3.04E-23, 7.93E-21, 4.54E-22 "Kr ","Krypton ","80Kr ++ ", 39.9576, 0.00, 0.00, 0.58, 0.12, 6.67E-23, 3.00E-25, 1.05E-20, 2.00E-22 "Kr ","Krypton ","82Kr + ", 81.9129, 20.85, 0.44, 20.65, 0.35, 6.67E-23, 3.00E-25, 1.05E-20, 2.00E-22 "Kr ","Krypton ","83Kr + ", 82.9136, 21.11, 0.49, 20.82, 0.36, 6.67E-23, 3.00E-25, 1.05E-20, 2.00E-22 "Kr ","Krypton ","84Kr + ", 83.9109, 100.00, 2.50, 100.00, 2.00, 6.67E-23, 3.00E-25, 1.05E-20, 2.00E-22 "Kr ","Krypton ","86Kr + ", 85.9101, 30.33, 0.77, 30.79, 0.70, 6.67E-23, 3.00E-25, 1.05E-20, 2.00E-22 "Xe ","Xenon ","128Xe ++ ", 63.9512, 0.69, 0.29, 0.87, 0.21, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","129Xe ++ ", 64.4518, 8.63, 1.38, 12.77, 0.50, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","130Xe ++ ", 64.9512, 1.37, 0.24, 1.82, 0.06, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","131Xe ++ ", 65.4520, 6.90, 0.99, 10.23, 0.15, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","132Xe ++ ", 65.9515, 8.79, 0.71, 12.98, 1.17, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","134Xe ++ ", 66.9521, 3.35, 0.49, 5.05, 0.11, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","136Xe ++ ", 67.9531, 2.75, 0.48, 4.19, 0.15, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","124Xe + ", 127.9030, 0.40, 0.09, 0.31, 0.12, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","126Xe + ", 127.9030, 0.36, 0.06, 0.26, 0.11, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","128Xe + ", 127.9030, 7.44, 0.61, 7.28, 0.40, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","129Xe + ", 128.9042, 95.78, 3.81, 99.17, 2.49, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","130Xe + ", 129.9030, 16.21, 1.12, 15.49, 0.46, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","131Xe + ", 130.9045, 78.70, 2.60, 77.15, 2.44, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","132Xe + ", 131.9036, 100.00, 2.20, 100.00, 2.40, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","134Xe + ", 133.9048, 38.64, 1.79, 38.62, 1.04, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "Xe ","Xenon ","136Xe + ", 135.9067, 32.86, 2.03, 32.09, 1.28, 1.48E-22, 4.16E-23, 1.43E-20, 8.56E-22 "1H4 12C1 ","Methane ","1H2 + ", 2.0151, 4.05, 0.38, 5.08, 0.09, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H4 12C1 ","Methane ","12C1 + ", 11.9995, 1.83, 0.16, 0.73, 0.02, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H4 12C1 ","Methane ","1H1 12C1 + ", 13.0073, 7.12, 0.46, 3.04, 0.13, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H4 12C1 ","Methane ","1H2 12C1 + ", 14.0151, 15.62, 0.34, 9.49, 0.09, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H4 12C1 ","Methane ","1H3 12C1 + ", 15.0229, 78.97, 1.78, 72.56, 0.61, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H4 12C1 ","Methane ","1H4 12C1 + ", 16.0308, 100.00, 0.60, 100.00, 0.70, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H4 12C1 ","Methane ","1H4 13C1 + / 1H3 2D1 12C1 + ", 17.0370, 1.61, 0.13, 1.43, 0.03, 1.03E-22, 2.86E-23, 4.71E-21, 2.68E-22 "1H6 12C2 ","Ethane ","1H2 + ", 2.0151, 5.69, 0.17, 4.15, 0.03, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","12C1 + ", 11.9995, 0.38, 0.07, 0.11, 0.01, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H1 12C1 + / 1H2 12C2 ++ ", 13.0073, 0.68, 0.03, 0.25, 0.01, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H2 12C1 + / 1H4 12C2 ++ ", 14.0151, 2.01, 0.16, 1.05, 0.03, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H3 12C1 + / 1H6 12C2 ++ ", 15.0229, 4.00, 0.13, 2.24, 0.02, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H4 12C1 + ", 16.0308, 1.10, 0.09, 0.80, 0.03, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","12C2 + ", 23.9995, 0.49, 0.04, 0.50, 0.03, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H1 12C2 + ", 25.0073, 3.51, 0.37, 3.08, 0.04, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H2 12C2 + ", 26.0151, 24.51, 1.00, 19.35, 0.14, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H3 12C2 + ", 27.0229, 32.88, 0.93, 27.18, 0.11, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H4 12C2 + ", 28.0308, 100.00, 1.63, 100.00, 0.40, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H5 12C2 + ", 29.0386, 19.96, 0.43, 24.97, 0.16, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H6 12C2 + ", 30.0464, 26.04, 1.14, 31.72, 0.14, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H6 12C2 ","Ethane ","1H6 13C1 + / 1H5 2D1 12C1 + ", 31.0542, 0.66, 0.02, 0.74, 0.02, 2.66E-22, 7.70E-23, 9.06E-21, 5.13E-22 "1H8 12C3 ","Propane ","1H2 + ", 2.0151, 11.50, 0.90, 9.57, 0.13, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","12C1 + ", 11.9995, 0.23, 0.15, 0.08, 0.02, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H1 12C1 + ", 13.0073, 0.59, 0.11, 0.30, 0.01, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H2 12C1 + ", 14.0151, 1.78, 0.17, 0.78, 0.03, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H3 12C1 + ", 15.0229, 7.12, 0.57, 3.52, 0.03, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H4 12C1 + ", 16.0308, 2.70, 0.29, 2.69, 0.12, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","12C2 + ", 23.9995, 0.23, 0.16, 0.30, 0.02, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H1 12C2 + ", 25.0073, 1.74, 0.16, 1.67, 0.05, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H2 12C2 + ", 26.0151, 16.24, 0.53, 12.19, 0.11, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H3 12C2 + ", 27.0229, 46.39, 1.03, 32.79, 0.13, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H4 12C2 + ", 28.0308, 69.31, 1.59, 68.12, 0.29, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H5 12C2 + ", 29.0386, 100.00, 1.10, 100.00, 0.50, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H6 12C2 + ", 30.0464, 2.20, 0.40, 2.44, 0.02, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H1 12C3 + ", 37.0073, 3.06, 0.45, 3.20, 0.03, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H2 12C3 + ", 38.0151, 6.19, 0.62, 5.45, 0.08, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H3 12C3 + ", 39.0229, 24.68, 0.74, 18.45, 0.17, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H4 12C3 + ", 40.0308, 3.87, 0.14, 3.49, 0.14, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H5 12C3 + ", 41.0386, 17.16, 0.42, 18.83, 0.25, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H6 12C3 + ", 42.0464, 6.27, 0.27, 6.68, 0.11, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H7 12C3 + ", 43.0542, 30.68, 1.10, 42.07, 0.50, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H8 12C3 + ", 44.0621, 38.59, 0.94, 53.88, 1.37, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H8 12C3 ","Propane ","1H8 12C2 13C1 + / 1H7 2D1 12C3 + ", 45.0654, 1.18, 0.35, 1.71, 0.06, 5.13E-22, 1.43E-22, 1.41E-20, 8.13E-22 "1H10 12C4 ","n-Butane ","1H2 + ", 2.0151, 12.59, 0.48, 7.96, 0.12, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","12C1 + ", 11.9995, 0.43, 0.11, 0.06, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H1 12C1 + ", 13.0073, 0.43, 0.21, 0.20, 0.02, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H2 12C1 + ", 14.0151, 1.48, 0.15, 0.62, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H3 12C1 + ", 15.0229, 5.55, 0.64, 1.88, 0.03, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H4 12C1 + ", 16.0308, 0.13, 0.04, 0.16, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","12C2 + ", 23.9995, 0.39, 0.16, 0.32, 0.02, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H1 12C2 + ", 25.0073, 1.87, 0.28, 1.56, 0.02, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H2 12C2 + ", 26.0151, 14.23, 0.87, 10.15, 0.07, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H3 12C2 + ", 27.0229, 40.51, 1.04, 22.32, 0.11, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H4 12C2 + ", 28.0308, 48.25, 4.35, 46.32, 0.98, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H5 12C2 + ", 29.0386, 45.81, 3.31, 31.09, 0.19, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H6 12C2 + ", 30.0464, 2.42, 0.66, 1.17, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H1 12C3 + ", 37.0073, 0.83, 0.28, 0.68, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H2 12C3 + ", 38.0151, 2.33, 0.29, 1.36, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H3 12C3 + ", 39.0229, 18.53, 1.17, 8.86, 0.08, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H4 12C3 + ", 40.0308, 2.81, 0.25, 1.91, 0.15, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H5 12C3 + ", 41.0386, 36.03, 0.44, 28.11, 0.12, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H6 12C3 + ", 42.0464, 15.53, 0.98, 15.59, 0.09, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H7 12C3 + ", 43.0542, 100.00, 0.50, 100.00, 0.40, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H8 12C3 + ", 44.0621, 5.68, 0.87, 4.43, 0.13, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H8 12C2 13C1 + / 1H7 2D1 12C3 + ", 45.0654, 1.63, 0.91, 0.14, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H1 12C4 + ", 49.0073, 0.59, 0.57, 0.47, 0.02, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H2 12C4 + ", 50.0151, 1.69, 0.30, 1.65, 0.03, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H3 12C4 + ", 51.0229, 1.42, 0.14, 1.16, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H4 12C4 + ", 52.0308, 0.41, 0.19, 0.32, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H5 12C4 + ", 53.0386, 1.13, 0.13, 0.87, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H6 12C4 + ", 54.0464, 0.34, 0.03, 0.21, 0.02, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H7 12C4 + ", 55.0542, 1.23, 0.24, 1.17, 0.01, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H8 12C4 + ", 56.0621, 1.02, 0.27, 0.89, 0.03, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H9 12C4 + ", 57.0699, 2.98, 0.15, 3.07, 0.06, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H10 12C4 + ", 58.0777, 19.79, 0.46, 22.12, 0.37, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H10 12C4 ","n-Butane ","1H10 12C3 13C1 + / 1H9 2D1 12C4 + ", 59.0811, 0.88, 0.24, 1.09, 0.02, 8.02E-22, 2.23E-22, 1.65E-20, 9.40E-22 "1H2 12C2 ","Acetylene ","1H2 + ", 2.0151, 4.24, 1.46, 1.22, 0.01, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","12C1 + ", 11.9995, 1.62, 0.15, 0.55, 0.01, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","1H1 12C1 + ", 13.0073, 3.31, 0.44, 1.87, 0.02, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","1H2 12C1 + ", 14.0151, 0.54, 0.19, 0.26, 0.01, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","12C2 + ", 23.9995, 6.25, 0.40, 5.53, 0.03, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","1H1 12C2 + ", 25.0073, 22.18, 0.89, 20.74, 0.08, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","1H2 12C2 + ", 26.0151, 100.00, 8.10, 100.00, 0.50, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","- ", 27.0000, 2.56, 0.30, 2.41, 0.01, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H2 12C2 ","Acetylene ","- ", 28.0000, 3.86, 2.81, 2.50, 0.04, 9.68E-23, 2.86E-23, 2.83E-21, 1.60E-22 "1H6 12C6 ","Benzene ","1H2 + ", 2.0151, 6.28, 0.77, 2.52, 0.21, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","12C1 + ", 11.9995, 0.26, 0.10, 0.06, 0.01, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H1 12C1 + ", 13.0073, 0.44, 0.14, 0.15, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H2 12C1 + ", 14.0151, 0.53, 0.07, 0.18, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C1 + ", 15.0229, 1.72, 0.49, 0.45, 0.04, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H4 12C1 + ", 16.0308, 1.67, 0.36, 0.47, 0.07, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","13CH4+/CH3+D ", 17.0341, 2.20, 0.38, 0.53, 0.10, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","12C2 + ", 23.9995, 0.40, 0.14, 0.29, 0.03, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H1 12C2 + ", 25.0073, 2.04, 0.21, 1.19, 0.10, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H2 12C2 + ", 26.0151, 10.85, 0.32, 6.94, 0.60, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C2 + ", 27.0229, 6.28, 1.24, 2.26, 0.19, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H4 12C2 + ", 28.0308, 4.19, 0.90, 2.14, 0.18, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H5 12C2 + ", 29.0386, 2.56, 0.51, 0.97, 0.08, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H6 12C2 + ", 30.0464, 0.68, 0.24, 0.40, 0.04, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H7 12C2 + ", 31.0542, 9.05, 1.84, 4.87, 0.43, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","12C3 + ", 35.9995, 1.02, 1.58, 0.21, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H1 12C3 + ", 37.0073, 2.12, 0.43, 1.77, 0.15, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C6 ++ ", 37.5112, 4.51, 4.53, 0.47, 0.06, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H5 12C6 ++ ", 38.5190, 15.67, 3.58, 13.01, 2.82, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C3 + ", 39.0229, 14.83, 2.81, 8.96, 1.05, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H6 12C5 13C1 ++/1H5 2D1 12C6 ++ ", 39.5246, 6.63, 3.53, 6.70, 3.62, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H4 12C3 + ", 40.0308, 0.42, 0.21, 0.40, 0.05, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H5 12C3 + ", 41.0386, 0.35, 0.36, 0.15, 0.04, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H6 12C3 + ", 42.0464, 0.37, 0.15, 0.32, 0.08, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H7 12C3 + ", 43.0542, 0.90, 0.14, 0.76, 0.10, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H8 12C3 + ", 44.0621, 0.57, 0.25, 1.48, 0.55, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H1 12C4 + ", 47.9995, 5.37, 8.10, 0.22, 0.03, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H2 12C4 + ", 49.0073, 2.98, 0.41, 2.06, 0.25, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C4 + ", 50.0151, 23.05, 1.07, 14.94, 1.74, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H4 12C4 + ", 51.0229, 25.48, 1.29, 17.72, 2.06, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H5 12C4 + ", 52.0308, 19.48, 1.47, 19.00, 2.19, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H6 12C4 + ", 53.0386, 0.79, 0.18, 0.91, 0.10, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H7 12C4 + ", 54.0464, 8.43, 9.16, 0.60, 0.13, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H8 12C4 + ", 55.0542, 0.54, 0.47, 0.07, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","12C4 + ", 56.0621, 0.47, 0.41, 0.06, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","12C5 + ", 59.9995, 0.31, 0.33, 0.20, 0.03, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H1 12C5 + ", 61.0073, 0.39, 0.20, 0.39, 0.05, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H2 12C5 + ", 62.0151, 0.87, 0.27, 0.60, 0.07, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C5 + ", 63.0229, 4.43, 0.68, 2.17, 0.27, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H4 12C5 + ", 64.0308, 0.68, 0.76, 0.18, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","12C6 + ", 71.9995, 1.29, 1.48, 0.11, 0.02, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H1 12C6 + ", 73.0073, 1.02, 0.53, 1.00, 0.09, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H2 12C6 + ", 74.0151, 4.02, 2.51, 2.84, 0.28, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H3 12C6 + ", 75.0229, 1.75, 0.45, 2.51, 0.59, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H4 12C6 + ", 76.0308, 3.60, 1.14, 5.17, 1.34, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H5 12C6 + ", 77.0386, 15.41, 12.30, 25.36, 4.30, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H6 12C6 + ", 78.0464, 100.00, 13.50, 100.00, 12.40, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H6 12C6 ","Benzene ","1H6 12C5 13C + / 1H5 2D1 12C6 + ", 79.0498, 5.54, 2.65, 6.27, 1.36, 7.61E-22, 2.12E-22, 1.60E-20, 1.01E-21 "1H8 12C10 ","Naphthalene ","1H2 + ", 2.0151, 19.18, 4.34, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","12C1 + ", 11.9995, 4.06, 0.83, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C1 + ", 13.0073, 4.80, 0.99, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","12C2 + ", 23.9995, 1.09, 0.27, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C2 + ", 25.0073, 3.96, 0.98, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C2 + ", 26.0151, 18.31, 4.52, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C2 + ", 27.0229, 9.18, 2.03, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H4 12C2 + ", 28.0308, 5.04, 2.69, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","12C3 + ", 35.9995, 0.23, 0.06, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C3 + ", 37.0073, 0.59, 0.16, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C3 + ", 38.0151, 1.29, 0.32, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C3 + ", 39.0229, 5.99, 1.65, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C4 + ", 49.0073, 1.07, 0.33, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C4 + ", 50.0151, 8.20, 2.31, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C4 + ", 51.0229, 12.82, 3.71, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H4 12C4 + ", 52.0308, 2.46, 0.69, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C4 + ", 53.0386, 0.76, 0.18, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C5 + ", 61.0073, 0.72, 0.22, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C5 + ", 62.0151, 2.74, 0.76, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C5 + / 1H6 12C10 ++ ", 63.0229, 9.27, 2.65, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H7 12C10 ++ ", 63.5268, 18.24, 5.39, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H4 12C5 + / 1H8 12C10 ++ ", 64.0308, 10.18, 2.92, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H8 12C9 13C1 + / 1H7 2D1 12C10 + ", 64.5327, 7.20, 2.21, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C5 + ", 65.0386, 1.34, 0.41, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C6 + ", 73.0073, 0.85, 0.26, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C6 + ", 74.0151, 6.08, 1.73, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C6 + ", 75.0229, 6.96, 1.98, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H4 12C6 + ", 76.0308, 5.13, 1.46, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C6 + ", 77.0386, 5.81, 1.65, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H6 12C6 + ", 78.0464, 3.74, 1.04, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H7 12C6 + ", 79.0542, 0.92, 0.28, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C7 + ", 85.0073, 0.77, 0.24, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C7 + ", 86.0151, 2.05, 0.56, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C7 + ", 87.0229, 2.04, 0.55, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H4 12C7 + ", 88.0308, 0.67, 0.20, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C7 + ", 89.0386, 1.49, 0.46, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H1 12C8 + ", 97.0073, 1.03, 0.32, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H2 12C8 + ", 98.0151, 1.81, 0.47, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H3 12C8 + ", 99.0229, 1.39, 0.43, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H4 12C8 + ", 100.0308, 1.80, 0.55, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C8 + ", 101.0386, 4.10, 1.12, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H6 12C8 + ", 102.0464, 9.88, 2.83, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H7 12C8 + ", 103.0542, 1.90, 0.58, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C9 + ", 113.0386, 0.50, 0.15, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H5 12C10 + ", 125.0386, 2.30, 0.71, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H6 12C10 + ", 126.0464, 8.47, 4.19, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H7 12C10 + ", 127.0542, 14.06, 6.15, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H8 12C10 + ", 128.0621, 100.00, 8.90, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H8 12C10 ","Naphthalene ","1H8 12C9 13C1 + / 1H7 2D1 12C10 + ", 129.0654, 10.03, 0.57, 0.00, 0.00, 6.34E-22, 2.04E-22, 0.00E-00, 0.00E-00 "1H4 12C1 16O1 ","Methanol ","1H2 + ", 2.0151, 11.77, 0.74, 8.49, 0.18, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","12C1 + ", 11.9995, 1.87, 0.21, 0.47, 0.01, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H1 12C1 + ", 13.0073, 2.46, 0.23, 0.71, 0.01, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H2 12C1 + ", 14.0151, 6.28, 0.39, 2.44, 0.03, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H3 12C1 + ", 15.0229, 31.10, 0.41, 12.62, 0.23, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","16O1 + ", 15.9944, 3.11, 0.16, 2.03, 0.06, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H1 16O1 + ", 17.0022, 2.50, 0.13, 0.80, 0.03, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H2 16O1 + ", 18.0100, 6.48, 0.92, 2.97, 0.11, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","12C1 16O1 + ", 27.9944, 31.11, 0.87, 30.16, 0.74, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H1 12C1 16O1 + ", 29.0022, 73.94, 0.96, 49.46, 0.87, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H2 12C1 16O1 + ", 30.0100, 13.85, 0.57, 11.82, 0.21, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H3 12C1 16O1 + ", 31.0178, 100.00, 1.50, 100.00, 1.70, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H4 12C1 16O1 + ", 32.0257, 70.50, 0.41, 77.44, 1.25, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H4 13C1 16O1 + / 1H3 2D1 12C1 16O1 + ", 33.0290, 1.18, 0.04, 1.24, 0.02, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H4 12C1 16O1 ","Methanol ","1H4 12C1 18O1 + ", 34.0305, 0.18, 0.02, 0.00, 0.00, 1.75E-22, 4.91E-23, 6.05E-21, 3.70E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H2 + ", 2.0151, 11.71, 0.79, 10.24, 0.11, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","12C1 + ", 11.9995, 1.34, 0.16, 0.46, 0.01, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H1 12C1 + ", 13.0073, 1.80, 0.10, 1.02, 0.03, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H2 12C1 + ", 14.0151, 5.73, 0.34, 3.28, 0.06, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H3 12C1 + ", 15.0229, 13.39, 0.41, 8.28, 0.10, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H1 16O1 + ", 17.0022, 4.80, 0.70, 3.33, 0.03, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H2 16O1 + ", 18.0100, 17.95, 2.79, 13.77, 0.53, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","- ", 19.0000, 1.87, 0.79, 3.46, 0.03, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","12C2 + ", 23.9995, 0.72, 0.03, 0.54, 0.04, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H1 12C2 + ", 25.0073, 3.16, 0.25, 2.87, 0.05, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H2 12C2 + ", 26.0151, 17.48, 0.35, 15.52, 0.19, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H3 12C2 + ", 27.0229, 25.80, 0.70, 19.85, 0.17, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","12C1 16O1 + / 1H4 12C2 + ", 28.0126, 31.30, 1.78, 38.10, 0.30, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H1 12C1 16O1 + / 1H5 12C2 + ", 29.0203, 34.15, 0.75, 23.91, 0.29, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H2 12C1 16O1 + ", 30.0100, 7.73, 0.41, 7.19, 0.06, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H3 12C1 16O1 + ", 31.0178, 100.00, 3.00, 100.00, 0.90, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H5 12C1 16O1 + ", 33.0335, 0.27, 0.02, 0.00, 0.00, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H1 12C2 16O1 + ", 41.0022, 2.36, 0.20, 1.95, 0.02, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H2 12C2 16O1 + ", 42.0100, 5.69, 0.26, 5.23, 0.09, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H3 12C2 16O1 + ", 43.0178, 25.45, 0.99, 29.49, 0.20, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H4 12C2 16O1 + ", 44.0257, 7.21, 0.65, 8.03, 0.15, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H5 12C2 16O1 + ", 45.0335, 37.85, 1.34, 55.19, 0.61, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H6 12C2 16O1 + ", 46.0413, 21.73, 0.90, 35.00, 0.38, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H6 12C2 16O1 ","Ethanol trans ","1H7 12C2 16O1 + ", 47.0491, 0.73, 0.01, 0.97, 0.01, 4.93E-22, 1.38E-22, 1.18E-20, 6.65E-22 "1H2 12C1 16O2 ","Formic acid ","1H2 + ", 2.0151, 10.72, 0.73, 13.10, 1.76, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","12C1 + ", 11.9995, 4.31, 0.60, 1.45, 0.06, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H1 12C1 + ", 13.0073, 1.47, 0.17, 0.57, 0.02, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H2 12C1 + ", 14.0151, 0.47, 0.21, 0.72, 0.03, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","16O1 + / 1H4 12C + ", 16.0126, 7.65, 0.44, 5.04, 0.10, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H1 16O1 + ", 17.0022, 21.25, 1.67, 20.04, 1.84, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","12C1 16O1 + ", 27.9944, 73.87, 2.34, 108.10, 3.60, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H1 12C1 16O1 + ", 29.0022, 100.00, 1.90, 100.00, 1.40, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H2 12C1 16O1 + ", 30.0100, 3.48, 0.16, 1.30, 0.04, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","H2 13C O + / 1H1 2D1 12C1 16O1 + ", 31.0134, 0.83, 0.13, 4.12, 0.06, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","16O2 + ", 31.9893, 1.90, 0.12, 2.53, 0.03, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","12C1 16O2 + ", 43.9893, 48.65, 2.67, 81.56, 3.51, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H1 12C1 16O2 + ", 44.9971, 50.54, 0.80, 92.00, 2.82, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H2 12C1 16O2 + ", 46.0049, 64.02, 2.28, 112.50, 3.40, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H2 13C1 16O2 + / 1H1 2D1 12C1 16O2 + ", 47.0083, 1.24, 0.04, 2.04, 0.06, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H2 12C1 16O2 ","Formic acid ","1H2 12C1 16O1 18O1 + ", 48.0092, 0.40, 0.01, 0.68, 0.03, 1.56E-22, 4.40E-23, 8.04E-21, 4.59E-22 "1H4 12C2 16O2 ","Acetic acid ","1H2 + ", 2.0151, 12.69, 0.74, 11.39, 0.12, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","12C1 + ", 11.9995, 4.78, 0.56, 1.94, 0.04, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C1 + ", 13.0073, 6.22, 0.72, 3.60, 0.09, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H2 12C1 + ", 14.0151, 17.80, 0.66, 10.68, 0.11, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H3 12C1 + ", 15.0229, 44.94, 2.25, 32.73, 0.20, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","16O1 + ", 15.9944, 15.65, 1.22, 14.25, 0.13, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 16O1 + ", 17.0022, 6.91, 0.68, 4.66, 0.13, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H2 16O1 + ", 18.0100, 21.38, 3.03, 18.05, 0.41, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","12C2 + ", 23.9995, 0.71, 0.07, 0.73, 0.03, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C2 + ", 25.0073, 2.67, 0.23, 2.45, 0.01, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H2 12C2 + ", 26.0151, 8.74, 0.60, 11.09, 0.18, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H3 12C2 + ", 27.0229, 1.70, 0.17, 1.60, 0.04, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","12C1 16O1 + ", 27.9944, 65.94, 3.72, 87.78, 0.67, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C1 16O1 + ", 29.0022, 21.00, 0.61, 14.44, 0.20, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H2 12C1 16O1 + ", 30.0100, 2.80, 0.30, 3.13, 0.05, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H3 12C1 16O1 + ", 31.0178, 8.22, 0.24, 5.43, 0.09, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H4 12C1 16O1 + ", 32.0257, 2.53, 0.25, 3.03, 0.02, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","12C2 16O1 + ", 39.9944, 1.92, 0.14, 2.10, 0.06, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C2 16O1 + ", 41.0022, 6.09, 0.25, 5.36, 0.04, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H2 12C2 16O1 + ", 42.0100, 22.01, 0.78, 18.54, 0.14, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H3 12C2 16O1 + ", 43.0178, 100.00, 1.80, 100.00, 0.50, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","12C1 16O2 + / 1H4 12C2 16O1 + ", 44.0075, 35.31, 2.40, 48.58, 0.28, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C1 16O2 + ", 44.9971, 92.03, 1.83, 101.10, 0.60, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 13C1 16O2 + / 2D1 12C1 16O2 + ", 46.0005, 1.71, 0.13, 1.70, 0.02, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C1 16O1 18O1 + ", 47.0014, 0.56, 0.03, 0.64, 0.06, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H1 12C2 16O2 + ", 56.9971, 0.11, 0.01, 0.16, 0.09, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H4 12C2 16O2 + ", 60.0206, 53.90, 1.07, 95.98, 0.59, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H4 12C1 13C1 16O2 + / 1H3 2D1 12C2 16O2 + ", 61.0239, 1.52, 0.10, 2.45, 0.12, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H4 12C2 16O2 ","Acetic acid ","1H4 12C2 16O1 18O1 + ", 62.0248, 0.34, 0.01, 0.48, 0.05, 1.84E-22, 5.21E-23, 5.20E-21, 2.96E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H2 + ", 2.0151, 5.39, 0.26, 3.05, 0.06, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","12C1 + ", 11.9995, 2.72, 0.42, 0.80, 0.01, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H1 12C1 + ", 13.0073, 2.91, 0.23, 0.70, 0.02, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H2 12C1 + ", 14.0151, 3.67, 0.33, 0.89, 0.02, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H3 12C1 + ", 15.0229, 0.83, 0.05, 0.47, 0.01, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","12C1 16O1 + ", 27.9944, 47.07, 0.68, 45.08, 0.29, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H1 12C1 16O1 + ", 29.0022, 100.00, 1.80, 100.00, 0.30, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H2 12C1 16O1 + ", 30.0100, 76.45, 2.21, 87.87, 0.28, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H2 12C1 16O1 ","Formaldehyde ","1H2 13C1 16O1 + / 1H1 2D1 12C1 16O1 + ", 31.0134, 1.39, 0.14, 1.51, 0.01, 1.24E-22, 3.53E-23, 6.12E-21, 3.48E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H2 + ", 2.0151, 8.60, 1.21, 5.85, 0.12, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","12C1 + ", 11.9995, 2.31, 0.19, 1.18, 0.10, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H1 12C1 + ", 13.0073, 4.53, 0.21, 3.07, 0.05, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H2 12C1 + ", 14.0151, 13.62, 0.42, 9.45, 0.07, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H3 12C1 + ", 15.0229, 36.39, 1.11, 32.76, 0.79, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","16O1 + / 1H4 12C1 + ", 15.9944, 8.41, 1.23, 8.64, 0.20, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H1 16O1 + ", 17.0022, 0.97, 0.36, 0.31, 0.20, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H2 16O1 + ", 18.0100, 3.17, 1.76, 0.75, 0.44, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","12C2 + ", 23.9995, 0.89, 0.05, 1.11, 0.10, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H1 12C2 + ", 25.0073, 4.30, 0.01, 3.70, 0.36, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H2 12C2 + ", 26.0151, 14.02, 0.45, 13.09, 0.28, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H3 12C2 + ", 27.0229, 5.91, 0.36, 4.21, 0.03, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","12C1 16O1 + ", 27.9944, 26.05, 2.21, 41.97, 1.57, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H1 12C1 16O1 + ", 29.0022, 100.00, 2.40, 100.00, 2.00, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H2 12C1 16O1 + ", 30.0100, 1.80, 0.04, 1.84, 0.17, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H3 12C1 16O1 + ", 31.0178, 0.56, 0.20, 0.96, 0.01, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","12C2 16O1 + ", 39.9944, 1.48, 0.03, 1.80, 0.13, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H1 12C2 16O1 + ", 41.0022, 5.21, 0.09, 6.21, 0.12, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H2 12C2 16O1 + ", 42.0100, 11.38, 0.18, 15.23, 0.09, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H3 12C2 16O1 + ", 43.0178, 30.73, 0.62, 52.68, 0.37, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H4 12C2 16O1 + ", 44.0257, 55.80, 1.52, 99.43, 1.08, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H4 12C2 16O1 ","Acetaldehyde ","1H4 12C1 13C1 16O1 + / 1H3 2D1 12C2 16O1 + ", 45.0290, 1.72, 0.05, 3.25, 0.06, 2.33E-22, 6.49E-23, 5.91E-21, 3.41E-22 "1H3 12C3 14N3 ","Triazine ","1H2 + ", 2.0151, 12.32, 7.38, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","12C1 + ", 11.9995, 3.64, 1.45, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H1 12C1 + ", 13.0073, 4.76, 1.89, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","14N + / 1H2 12C1 + ", 14.0088, 11.24, 8.84, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H1 14N1 + / 1H3 12C1 + ", 15.0166, 54.30, 14.75, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H2 14N1 + / 1H4 12C1 + ", 16.0245, 3.00, 2.42, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","12C2 + ", 23.9995, 2.14, 0.62, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H1 12C2 + ", 25.0073, 6.05, 2.95, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H2 12C2 + ", 26.0151, 34.46, 18.38, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H3 12C2 + ", 27.0229, 110.60, 28.25, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H4 12C2 + / 14N2 + ", 28.0181, 112.20, 26.83, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H5 12C2 + ", 29.0386, 11.76, 8.60, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","- ", 31.0000, 1.26, 0.93, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","12C2 14N1 + ", 38.0025, 9.26, 4.29, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H1 12C2 14N1 + ", 39.0104, 15.86, 9.46, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H2 12C2 14N1 + ", 40.0182, 8.46, 3.59, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H3 12C3 14N3 ++ ", 40.5158, 12.01, 2.08, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H3 12C2 14N1 + ", 41.0260, 7.16, 5.46, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","- ", 45.0000, 2.00, 1.24, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","12C2 14N2 + ", 52.0056, 5.25, 0.47, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H1 12C2 14N2 + ", 53.0134, 22.88, 1.59, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H2 12C2 14N2 + ", 54.0212, 76.11, 0.59, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","- ", 55.0000, 3.26, 0.49, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","- ", 59.0000, 3.55, 1.89, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","12C3 14N2 + ", 64.0056, 0.11, 0.03, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","12C3 14N3 + ", 78.0087, 0.34, 0.12, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H3 12C3 14N3 + ", 81.0321, 100.00, 13.60, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00 "1H3 12C3 14N3 ","Triazine ","1H3 12C2 13C1 14N3 + / 1H2 2D1 12C3 14N3 + ", 82.0355, 5.12, 0.10, 0.00, 0.00, 1.18E-22, 3.36E-23, 0.00E-00, 0.00E-00