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MCM & GECKO–A photolysis parameterisations
Peter Bräuer edited this page Dec 5, 2018
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3 revisions
The table below lists improved MCM/GECKO-A photolysis parameterisations, which include a dependence on the overlying ozone column. At 350DU they are identical the original MCM photolysis parameterisation:
j(χ) = l·cosᵐ(χ)·exp(-n·sec(χ))
where j is in s-1. For other ozone columns l
is redefined to:
l([O3]) = l_a0 + l_b0·exp(l_b1/[O3]) + l_c0·exp(l_c1/[O3])
where l, la0, lb0, lc0 are in s-1 and lb1, lc1 are in DU.
Download the parameters as formatted text file or csv file.
MCM/GECKO-A | TUV | la0 | lb0 | lb1 | lc0 | lc1 | l(350DU) | m | n | TUV label |
---|---|---|---|---|---|---|---|---|---|---|
J(1) | 2 | (2.038±0.111)·10-5 | (4.109±0.224)·10-4 | 157.66±9.04 | (1.563±0.085)·10-3 | 35.13±2.04 | 6.508·10-5 | 1.844±0.073 | 0.429±0.055 | O3 -> O2 + O(1D) |
J(2) | 3 | (4.893±0.036)·10-4 | (1.562±0.012)·10-4 | 548.91±5.17 | (1.325±0.010)·10-4 | 41.63±0.41 | 5.719·10-4 | 0.240±0.018 | 0.151±0.008 | O3 -> O2 + O(3P) |
J(3) | 5 | (9.043±0.338)·10-6 | (1.595±0.060)·10-5 | 46.42±1.75 | (1.221±0.046)·10-5 | 311.23±11.72 | 1.302·10-5 | 0.812±0.062 | 0.306±0.039 | H2O2 -> 2 OH |
J(4) | 6 | (1.476±0.048)·10-2 | (3.048±0.093)·10-4 | 92.35±6.29 | (1.126±0.034)·10-3 | 1102.90±48.32 | 1.559·10-2 | 0.321±0.058 | 0.284±0.032 | NO2 -> NO + O(3P) |
J(5) | 7 | (-1.113±0.010)·10-3 | (1.641±0.014)·10-2 | 7950.01±67.93 | (1.641±0.014)·10-2 | 8286.26±70.80 | 3.032·10-2 | 0.090±0.021 | 0.179±0.009 | NO3 -> NO + O2 |
J(6) | 8 | (1.199±0.013)·10-1 | (6.907±0.074)·10-2 | 5587.14±59.73 | (6.911±0.074)·10-2 | 5648.23±60.38 | 2.497·10-1 | 0.095±0.025 | 0.196±0.012 | NO3 -> NO2 + O(3P) |
J(7) | 12 | (2.620±0.088)·10-3 | (9.349±0.312)·10-6 | 38.45±1.33 | (1.926±0.064)·10-4 | 1182.53±46.46 | 2.763·10-3 | 0.353±0.063 | 0.299±0.035 | HNO2 -> OH + NO |
J(8) | 13 | (5.250±0.205)·10-7 | (7.022±0.274)·10-6 | 40.55±1.58 | (2.885±0.113)·10-6 | 214.41±8.37 | 1.090·10-6 | 1.298±0.058 | 0.323±0.040 | HNO3 -> OH + NO2 |
J(9) | 18 | (3.392±0.133)·10-6 | (1.214±0.048)·10-5 | 246.80±9.76 | (2.878±0.113)·10-5 | 40.29±1.60 | 6.337·10-6 | 1.063±0.060 | 0.375±0.040 | HNO4 -> HO2 + NO2 |
J(10) | 19 | (2.358±0.093)·10-6 | (2.003±0.079)·10-5 | 40.25±1.59 | (8.440±0.332)·10-6 | 246.69±9.74 | 4.404·10-6 | 1.063±0.060 | 0.375±0.040 | HNO4 -> OH + NO3 |
J(11011) | 22 | (4.016±0.165)·10-5 | (6.623±0.272)·10-5 | 394.87±16.35 | (4.194±0.172)·10-5 | 56.55±2.34 | 6.754·10-5 | 0.786±0.066 | 0.379±0.042 | CH2O -> H + HCO |
J(11012) | 23 | (7.026±0.272)·10-5 | (3.418±0.132)·10-5 | 502.07±19.54 | (1.605±0.062)·10-5 | 60.56±2.36 | 8.733·10-5 | 0.580±0.067 | 0.324±0.040 | CH2O -> H2 + CO |
J(11021) | 24 | (2.751±0.123)·10-6 | (4.072±0.183)·10-5 | 44.47±2.01 | (2.284±0.102)·10-5 | 219.45±9.91 | 7.401·10-6 | 1.342±0.064 | 0.455±0.046 | CH3CHO -> CH3 + HCO |
J(11022) | 26 | (3.245±0.157)·10-7 | (6.236±0.303)·10-6 | 44.43±2.16 | (3.807±0.185)·10-6 | 211.90±10.28 | 1.057·10-6 | 1.364±0.067 | 0.576±0.049 | CH3CHO -> CH3CO + H |
J(82011) | 27 | (4.382±0.177)·10-5 | (8.068±0.326)·10-5 | 51.50±2.22 | (8.904±0.359)·10-5 | 332.44±14.32 | 7.498·10-5 | 0.880±0.064 | 0.356±0.042 | genCH3CHO(poly) |
J(11031) | 28 | (3.727±0.204)·10-6 | (2.174±0.119)·10-4 | 44.70±2.46 | (1.650±0.090)·10-4 | 185.10±10.21 | 2.872·10-5 | 1.175±0.070 | 1.251±0.055 | C2H5CHO -> C2H5 + HCO |
J(15021) | 29 | (1.145±0.048)·10-5 | (6.025±0.253)·10-5 | 46.85±1.98 | (4.546±0.191)·10-5 | 269.87±11.41 | 2.391·10-5 | 1.080±0.063 | 0.395±0.043 | ALD3OH -> R(OH) + HCO |
J(82021) | 30 | (4.843±0.197)·10-5 | (1.085±0.044)·10-4 | 324.69±14.09 | (1.004±0.041)·10-4 | 51.17±2.22 | 8.546·10-5 | 0.907±0.064 | 0.360±0.042 | genC2H5CHO(poly) |
J(83011) | 31 | (1.528±0.064)·10-5 | (6.065±0.254)·10-5 | 269.57±11.37 | (8.026±0.336)·10-5 | 46.83±1.97 | 3.188·10-5 | 1.080±0.063 | 0.395±0.043 | genC2H5CHO(OHpoly) |
J(61011) | 32 | (6.604±0.238)·10-6 | (9.400±0.339)·10-6 | 46.68±1.70 | (7.447±0.269)·10-6 | 313.51±11.38 | 9.048·10-6 | 0.769±0.061 | 0.292±0.038 | CH3OOH -> CH3O + OH |
J(65011) | 33 | (6.410±0.231)·10-6 | (8.678±0.312)·10-6 | 47.38±1.72 | (7.015±0.253)·10-6 | 317.07±11.49 | 8.741·10-6 | 0.760±0.061 | 0.292±0.037 | HOCH2OOH -> HOCH2O. + OH |
J(41011) | 34 | (8.077±0.328)·10-7 | (4.355±0.177)·10-6 | 222.86±9.05 | (1.009±0.041)·10-5 | 40.81±1.66 | 1.715·10-6 | 1.257±0.060 | 0.354±0.042 | CH3ONO2 -> CH3O + NO2 |
J(47011) | 35 | (4.517±0.184)·10-6 | (2.192±0.089)·10-5 | 241.01±9.88 | (5.270±0.215)·10-5 | 40.00±1.64 | 9.656·10-6 | 1.103±0.060 | 0.448±0.042 | CH3(OONO2) -> CH3(OO) + NO2 |
J(41021) | 37 | (1.273±0.050)·10-6 | (6.469±0.256)·10-6 | 223.65±8.84 | (1.451±0.057)·10-5 | 41.34±1.63 | 2.629·10-6 | 1.245±0.059 | 0.342±0.040 | C2H5ONO2 -> C2H5O + NO2 |
J(41031) | 38 | (1.815±0.066)·10-6 | (1.572±0.057)·10-5 | 41.42±1.50 | (6.794±0.246)·10-6 | 225.55±8.17 | 3.258·10-6 | 1.179±0.056 | 0.280±0.037 | n-C3H7ONO2 -> C3H7O + NO2 |
J(41041) | 39 | (1.754±0.064)·10-6 | (6.819±0.250)·10-6 | 224.77±8.25 | (1.598±0.059)·10-5 | 40.80±1.50 | 3.194·10-6 | 1.190±0.056 | 0.285±0.038 | 1-C4H9ONO2 -> 1-C4H9O + NO2 |
J(41121) | 40 | (1.403±0.062)·10-6 | (2.902±0.128)·10-5 | 41.02±1.82 | (1.293±0.057)·10-5 | 219.57±9.76 | 4.035·10-6 | 1.232±0.062 | 0.586±0.045 | 2-C4H9ONO2 -> 2-C4H9O + NO2 |
J(41111) | 41 | (2.177±0.085)·10-6 | (9.482±0.370)·10-6 | 233.06±9.16 | (1.958±0.076)·10-5 | 42.28±1.66 | 4.294·10-6 | 1.195±0.059 | 0.328±0.040 | CH3CHONO2CH3 -> CH3CHOCH3 + NO2 |
J(45011) | 42 | (6.372±0.271)·10-8 | (4.913±0.209)·10-6 | 34.65±1.47 | (1.076±0.046)·10-6 | 156.26±6.65 | 1.785·10-7 | 1.748±0.058 | 0.416±0.043 | CH2(OH)CH2(ONO2) -> CH2(OH)CH2(O.) + NO2 |
J(81011) | 43 | (3.019±0.121)·10-5 | (8.336±0.334)·10-5 | 48.97±1.97 | (7.456±0.298)·10-5 | 301.26±12.14 | 5.359·10-5 | 0.952±0.063 | 0.353±0.041 | CH3COCH2(ONO2) -> CH3COCH2(O.) + NO2 |
J(42021) | 44 | (7.502±0.291)·10-6 | (3.478±0.135)·10-5 | 44.93±1.76 | (2.213±0.086)·10-5 | 264.86±10.35 | 1.342·10-5 | 1.043±0.060 | 0.327±0.040 | C(CH3)3(ONO2) -> C(CH3)3(O.) + NO2 |
J(48011) | 46 | (4.292±0.152)·10-7 | (1.257±0.044)·10-6 | 228.51±8.09 | (3.479±0.123)·10-6 | 39.10±1.38 | 7.014·10-7 | 1.077±0.056 | 0.279±0.036 | CH3CO(OONO2) -> CH3CO(OO) + NO2 |
J(48012) | 47 | (2.963±0.107)·10-7 | (8.350±0.300)·10-7 | 237.08±8.53 | (2.015±0.072)·10-6 | 40.28±1.45 | 4.874·10-7 | 1.061±0.057 | 0.285±0.037 | CH3CO(OONO2) -> CH3CO(O) + NO3 |
J(48021) | 48 | (2.179±0.078)·10-6 | (1.106±0.039)·10-5 | 23.10±0.82 | (1.423±0.051)·10-6 | 233.08±8.31 | 2.496·10-6 | 0.637±0.062 | 0.284±0.037 | CH3CH2CO(OONO2) -> CH3CH2CO(OO) + NO2 |
J(48022) | 49 | (2.309±0.079)·10-6 | (2.175±0.075)·10-6 | 220.83±7.60 | (1.154±0.040)·10-5 | 26.67±0.92 | 2.755·10-6 | 0.715±0.059 | 0.269±0.036 | CH3CH2CO(OONO2) -> CH3CH2CO(O) + NO3 |
J(13011) | 50 | (7.487±0.264)·10-7 | (4.051±0.143)·10-8 | 66.15±2.33 | (1.601±0.056)·10-7 | 596.68±21.02 | 8.380·10-7 | 0.457±0.064 | 0.302±0.037 | CH2=CHCHO -> CH2=CH + CHO |
J(13012) | 51 | (3.436±0.121)·10-6 | (1.883±0.066)·10-7 | 67.20±2.37 | (7.468±0.263)·10-7 | 616.51±21.74 | 3.860·10-6 | 0.457±0.064 | 0.302±0.037 | CH2=CHCHO -> CH2=CH2 + CO |
J(13013) | 53 | (8.314±0.293)·10-7 | (1.822±0.064)·10-7 | 638.28±22.48 | (4.713±0.166)·10-8 | 70.62±2.49 | 9.370·10-7 | 0.457±0.064 | 0.302±0.037 | CH2=CHCHO -> CH2=CHCO + H |
J(13051) | 54 | (1.213±0.047)·10-6 | (7.252±0.279)·10-7 | 512.70±19.75 | (2.723±0.105)·10-7 | 65.00±2.50 | 1.581·10-6 | 0.602±0.066 | 0.321±0.040 | CH2=C(CH3)CHO -> CH2=CCH3 + CHO |
J(13052) | 55 | (5.613±0.215)·10-6 | (3.324±0.128)·10-6 | 502.02±19.28 | (1.253±0.048)·10-6 | 63.21±2.43 | 7.273·10-6 | 0.603±0.066 | 0.321±0.040 | CH2=C(CH3)CHO -> CH3CH=CH2 + CO |
J(13053) | 57 | (1.371±0.053)·10-6 | (2.992±0.115)·10-7 | 62.09±2.38 | (8.043±0.308)·10-7 | 490.04±18.81 | 1.766·10-6 | 0.603±0.066 | 0.321±0.040 | CH2=C(CH3)CHO -> CH2=C(CH3)CO + H |
J(23011) | 59 | (5.597±0.210)·10-6 | (5.450±0.205)·10-6 | 376.78±14.17 | (4.052±0.152)·10-6 | 53.69±2.02 | 7.756·10-6 | 0.717±0.063 | 0.310±0.039 | CH3COCH=CH2 -> CH3 + C2H3CO |
J(15011) | 62 | (8.445±0.355)·10-6 | (6.630±0.278)·10-5 | 45.26±1.91 | (4.131±0.173)·10-5 | 247.44±10.45 | 1.851·10-5 | 1.176±0.062 | 0.390±0.043 | HOCH2CHO -> CH2OH + HCO |
J(21011) | 65 | (5.308±0.278)·10-7 | (1.699±0.089)·10-5 | 44.79±2.35 | (9.500±0.497)·10-6 | 187.09±9.80 | 2.001·10-6 | 1.596±0.070 | 0.578±0.053 | CH3COCH3 -> CH3CO + CH3 |
J(21012) | 66 | (2.882±0.132)·10-7 | (3.078±0.141)·10-6 | 45.97±2.11 | (2.033±0.093)·10-6 | 242.23±11.10 | 7.690·10-7 | 1.224±0.065 | 0.482±0.047 | CH3COCH3 -> CO + 2 CH3 |
J(21021) | 67 | (3.677±0.156)·10-6 | (2.598±0.110)·10-5 | 45.98±1.97 | (1.755±0.075)·10-5 | 255.26±10.91 | 8.144·10-6 | 1.147±0.063 | 0.404±0.043 | CH3COCH2CH3 -> CH3CO + CH2CH3 |
J(25011) | 68 | (2.715±0.094)·10-6 | (1.052±0.036)·10-5 | 212.87±7.43 | (2.955±0.102)·10-5 | 39.77±1.39 | 4.752·10-6 | 1.189±0.054 | 0.277±0.036 | CH2(OH)COCH3 -> CH3CO + CH2(OH) |
J(31011) | 70 | (1.753±0.048)·10-4 | (3.265±0.090)·10-5 | 57.76±1.75 | (4.933±0.135)·10-5 | 418.07±12.59 | 1.967·10-4 | 0.440±0.052 | 0.258±0.029 | CHOCHO -> 2 HO2 + 2 CO |
J(31012) | 72 | (2.507±0.097)·10-5 | (3.452±0.133)·10-5 | 53.85±2.09 | (4.182±0.161)·10-5 | 346.40±13.46 | 4.035·10-5 | 0.849±0.063 | 0.320±0.040 | CHOCHO -> CH2O + CO |
J(31013) | 73 | (1.973±0.054)·10-4 | (8.781±0.239)·10-5 | 380.07±11.34 | (6.509±0.177)·10-5 | 54.68±1.63 | 2.324·10-4 | 0.524±0.051 | 0.248±0.029 | Ald (mult) |
J(88011) | 74 | (4.787±0.098)·10-3 | (6.271±0.125)·10-5 | 60.40±1.57 | (1.120±0.022)·10-4 | 481.63±12.15 | 4.841·10-3 | 0.172±0.042 | 0.243±0.022 | Ald (poly) |
J(31021) | 75 | (1.906±0.043)·10-4 | (5.849±0.132)·10-5 | 311.47±7.77 | (6.390±0.144)·10-5 | 49.97±1.25 | 2.097·10-4 | 0.405±0.044 | 0.233±0.024 | CH3COCHO -> CH3CO + HCO |
J(31031) | 76 | (2.881±0.067)·10-3 | (4.932±0.108)·10-5 | 41.79±1.12 | (2.978±0.065)·10-5 | 304.69±7.91 | 2.890·10-3 | 0.182±0.046 | 0.254±0.024 | CH3COCOCH3 -> Products |
J(66011) | 78 | (8.445±0.322)·10-7 | (1.912±0.073)·10-6 | 272.04±10.38 | (3.259±0.124)·10-6 | 43.27±1.65 | 1.374·10-6 | 0.958±0.060 | 0.319±0.039 | CH3CO(OOH) -> Products |
J(25071) | 79 | (5.287±0.186)·10-4 | (9.879±0.349)·10-6 | 90.88±3.31 | (7.599±0.268)·10-5 | 891.90±32.53 | 5.802·10-4 | 0.415±0.065 | 0.305±0.037 | CH3COCOOH -> CH3CHO + CO2 |
J(11041) | 134 | (1.343±0.054)·10-5 | (2.685±0.109)·10-5 | 342.80±13.98 | (2.267±0.092)·10-5 | 53.07±2.16 | 2.313·10-5 | 0.872±0.064 | 0.356±0.042 | n-C3H7CHO -> n-C3H7 + CHO |
J(11042) | 135 | (6.382±0.258)·10-6 | (1.268±0.051)·10-5 | 338.82±13.81 | (1.078±0.044)·10-5 | 52.30±2.13 | 1.091·10-5 | 0.872±0.064 | 0.356±0.042 | n-C3H7CHO -> C2H4 + CH2CHOH |
J(15031) | 136 | (1.088±0.045)·10-5 | (4.597±0.190)·10-5 | 48.00±2.00 | (3.813±0.158)·10-5 | 282.20±11.77 | 2.194·10-5 | 1.040±0.063 | 0.387±0.043 | ALD4OH -> NI products |
J(15032) | 137 | (5.120±0.213)·10-6 | (2.181±0.091)·10-5 | 48.03±2.01 | (1.797±0.075)·10-5 | 282.45±11.81 | 1.034·10-5 | 1.039±0.063 | 0.387±0.043 | ALD4OH -> NII products |
J(82031) | 138 | (6.382±0.258)·10-5 | (1.268±0.051)·10-4 | 338.82±14.69 | (1.078±0.044)·10-4 | 52.30±2.26 | 1.091·10-4 | 0.872±0.064 | 0.356±0.042 | C4nALDpoly |
J(83021) | 139 | (2.133±0.089)·10-5 | (7.485±0.312)·10-5 | 282.56±11.85 | (9.045±0.377)·10-5 | 48.07±2.02 | 4.308·10-5 | 1.038±0.063 | 0.388±0.043 | C4nALDOHpoly |
J(12011) | 140 | (5.269±0.222)·10-5 | (1.346±0.057)·10-4 | 350.47±15.74 | (1.006±0.042)·10-4 | 55.59±2.49 | 1.025·10-4 | 0.885±0.065 | 0.411±0.043 | i-C3H7CHO -> i-C3H7 + CHO |
J(11051) | 141 | (2.074±0.084)·10-5 | (4.252±0.173)·10-5 | 340.33±13.94 | (3.626±0.147)·10-5 | 52.60±2.15 | 3.599·10-5 | 0.876±0.064 | 0.360±0.042 | n-C4H9CHO -> C4H9 + CHO |
J(15041) | 144 | (5.079±0.213)·10-6 | (2.294±0.096)·10-5 | 47.85±2.02 | (1.894±0.080)·10-5 | 279.74±11.83 | 1.051·10-5 | 1.049±0.063 | 0.399±0.043 | C5nALDOH -> NI products |
J(82041) | 147 | (6.265±0.254)·10-5 | (1.089±0.044)·10-4 | 51.77±2.23 | (1.281±0.052)·10-4 | 336.17±14.53 | 1.080·10-4 | 0.877±0.064 | 0.360±0.042 | C5nALDpoly |
J(83031) | 148 | (2.027±0.085)·10-5 | (9.173±0.384)·10-5 | 47.91±2.02 | (7.563±0.317)·10-5 | 280.17±11.81 | 4.202·10-5 | 1.051±0.063 | 0.398±0.043 | C5nALDOHpoly |
J(12021) | 149 | (9.302±0.395)·10-6 | (3.092±0.131)·10-5 | 308.96±13.23 | (2.295±0.098)·10-5 | 56.17±2.40 | 1.931·10-5 | 1.024±0.065 | 0.378±0.044 | i-C4H9CHO -> C4H9 + CHO |
J(12022) | 150 | (9.790±0.396)·10-6 | (1.792±0.072)·10-5 | 354.06±14.41 | (1.399±0.057)·10-5 | 54.02±2.20 | 1.648·10-5 | 0.850±0.064 | 0.353±0.042 | i-C4H9CHO -> CH3CH=CH2 + CH2=CHOH |
J(12031) | 152 | (2.845±0.112)·10-5 | (4.818±0.190)·10-5 | 344.36±13.65 | (3.917±0.154)·10-5 | 52.83±2.09 | 4.594·10-5 | 0.845±0.063 | 0.333±0.041 | sec-C4H9CHO -> C4H9 + CHO |
J(12032) | 153 | (1.102±0.043)·10-5 | (1.520±0.060)·10-5 | 53.21±2.11 | (1.864±0.073)·10-5 | 345.63±13.71 | 1.781·10-5 | 0.846±0.064 | 0.333±0.041 | sec-C4H9CHO -> CH3CH=CHOH + CH2=CH2 |
J(12041) | 154 | (1.467±0.059)·10-5 | (4.107±0.164)·10-5 | 292.64±11.76 | (4.108±0.164)·10-5 | 51.47±2.07 | 2.714·10-5 | 1.001±0.062 | 0.351±0.041 | t-C4H9CHO -> C4H9 + CHO |
J(12061) | 155 | (4.771±0.193)·10-5 | (7.669±0.309)·10-5 | 52.54±2.26 | (9.419±0.380)·10-5 | 339.94±14.69 | 8.145·10-5 | 0.874±0.064 | 0.350±0.042 | tALD -> products |
J(12071) | 156 | (8.217±0.333)·10-6 | (1.499±0.061)·10-5 | 347.78±14.17 | (1.158±0.047)·10-5 | 52.93±2.16 | 1.371·10-5 | 0.848±0.065 | 0.353±0.042 | neoC5H11CHO -> neoC5H11 + CHO |
J(11061) | 159 | (2.571±0.104)·10-5 | (5.017±0.203)·10-5 | 341.12±13.90 | (4.208±0.170)·10-5 | 52.85±2.15 | 4.375·10-5 | 0.868±0.064 | 0.355±0.042 | n-C5H11CHO -> C5H11 + CHO |
J(15051) | 162 | (5.640±0.235)·10-6 | (1.961±0.082)·10-5 | 285.20±11.94 | (2.347±0.098)·10-5 | 48.11±2.01 | 1.140·10-5 | 1.028±0.063 | 0.395±0.043 | C6nALDOH -> NI products |
J(82051) | 165 | (6.708±0.271)·10-5 | (1.097±0.044)·10-4 | 52.56±2.26 | (1.308±0.053)·10-4 | 339.92±14.66 | 1.139·10-4 | 0.868±0.064 | 0.355±0.042 | C6nALDpoly |
J(83041) | 166 | (2.252±0.094)·10-5 | (9.380±0.392)·10-5 | 48.35±2.03 | (7.838±0.327)·10-5 | 286.21±12.04 | 4.566·10-5 | 1.026±0.063 | 0.396±0.043 | C6nALDOHpoly |
J(11071) | 167 | (1.802±0.077)·10-5 | (3.726±0.158)·10-5 | 52.45±2.24 | (4.635±0.197)·10-5 | 347.50±14.86 | 3.500·10-5 | 0.880±0.065 | 0.417±0.044 | n-C6H13CHO -> C6H13 + CHO |
J(15061) | 170 | (3.530±0.161)·10-6 | (3.015±0.137)·10-5 | 48.24±2.21 | (2.657±0.121)·10-5 | 267.34±12.25 | 1.073·10-5 | 1.070±0.064 | 0.612±0.046 | C7nALDOH -> NI products |
J(82061) | 173 | (5.846±0.248)·10-5 | (1.507±0.064)·10-4 | 348.69±15.76 | (1.214±0.051)·10-4 | 52.54±2.37 | 1.138·10-4 | 0.880±0.065 | 0.417±0.044 | C7nALDpoly |
J(83051) | 174 | (1.412±0.064)·10-5 | (1.203±0.055)·10-4 | 48.39±2.21 | (1.061±0.048)·10-4 | 267.46±12.22 | 4.287·10-5 | 1.070±0.064 | 0.612±0.046 | C7nALDOHpoly |
J(16021) | 175 | (1.196±0.048)·10-4 | (1.138±0.046)·10-4 | 60.64±2.62 | (1.829±0.073)·10-4 | 390.46±16.88 | 1.946·10-4 | 0.798±0.065 | 0.348±0.042 | Glycidaldehyde -> oxyranyl radical + CHO |
J(13021) | 177 | (7.109±0.253)·10-6 | (2.032±0.072)·10-6 | 572.67±20.42 | (5.963±0.212)·10-7 | 65.94±2.35 | 8.215·10-6 | 0.491±0.064 | 0.302±0.037 | CH3CH=CHCHO -> CH3CH=CH + CHO |
J(13022) | 178 | (3.271±0.116)·10-5 | (2.741±0.098)·10-6 | 67.93±2.43 | (9.352±0.333)·10-6 | 578.02±20.68 | 3.783·10-5 | 0.492±0.064 | 0.302±0.037 | CH3CH=CHCHO -> CH3CH=CH2 + CO |
J(13023) | 179 | (7.915±0.281)·10-6 | (6.786±0.241)·10-7 | 68.21±2.43 | (2.285±0.081)·10-6 | 590.90±21.02 | 9.183·10-6 | 0.492±0.064 | 0.302±0.037 | CH3CH=CHCHO -> CH3CH=CHCO + H |
J(13031) | 180 | (6.721±0.247)·10-6 | (5.864±0.216)·10-7 | 71.64±2.63 | (2.112±0.078)·10-6 | 600.96±22.10 | 7.905·10-6 | 0.505±0.065 | 0.309±0.039 | 2-hexenal -> 1-pentenyl radical + CHO |
J(13032) | 181 | (3.085±0.113)·10-5 | (9.787±0.359)·10-6 | 613.89±22.65 | (2.703±0.099)·10-6 | 73.17±2.70 | 3.641·10-5 | 0.506±0.065 | 0.308±0.039 | 2-hexenal -> 1-pentene + CO |
J(13033) | 182 | (7.486±0.275)·10-6 | (6.685±0.245)·10-7 | 73.43±2.70 | (2.373±0.087)·10-6 | 616.53±22.64 | 8.837·10-6 | 0.506±0.065 | 0.309±0.039 | 2-hexenal -> C3H7CH=CHCO + H |
J(12051) | 183 | (4.616±0.186)·10-5 | (7.422±0.299)·10-5 | 372.96±15.16 | (4.989±0.201)·10-5 | 55.85±2.27 | 7.529·10-5 | 0.810±0.065 | 0.351±0.042 | C4H9CH(C2H5)CHO -> C7H15 + CHO |
J(15111) | 185 | (1.715±0.071)·10-5 | (4.865±0.202)·10-5 | 306.94±12.80 | (4.839±0.200)·10-5 | 50.61±2.11 | 3.275·10-5 | 0.970±0.064 | 0.377±0.043 | intAldOH -> R + CHO |
J(13071) | 187 | (5.063±0.189)·10-6 | (8.529±0.319)·10-7 | 64.88±2.42 | (2.296±0.086)·10-6 | 527.92±19.73 | 6.250·10-6 | 0.560±0.065 | 0.312±0.039 | CH3CH=C(CH3)CHO -> CH3CH=CCH3 + CHO |
J(13072) | 188 | (2.353±0.088)·10-5 | (1.053±0.039)·10-5 | 502.19±18.90 | (3.824±0.143)·10-6 | 61.23±2.30 | 2.879·10-5 | 0.560±0.065 | 0.312±0.039 | CH3CH=C(CH3)CHO -> CH3CH=CHCH3 + CO |
J(13073) | 189 | (5.696±0.213)·10-6 | (2.556±0.096)·10-6 | 511.70±19.15 | (9.383±0.351)·10-7 | 63.02±2.36 | 6.989·10-6 | 0.560±0.065 | 0.312±0.039 | CH3CH=C(CH3)CHO -> CH3CH=C(CH3)CO + H |
J(82131) | 193 | (5.216±0.195)·10-4 | (2.352±0.088)·10-4 | 514.84±20.82 | (8.662±0.324)·10-5 | 62.74±2.51 | 6.411·10-4 | 0.560±0.065 | 0.312±0.039 | genaMeuAld(poly) |
J(83131) | 194 | (3.387±0.130)·10-4 | (2.293±0.088)·10-4 | 454.82±18.60 | (1.092±0.042)·10-4 | 59.17±2.40 | 4.452·10-4 | 0.632±0.065 | 0.319±0.040 | genaMeuAldOH(poly) |
J(13061) | 195 | (1.362±0.047)·10-5 | (3.039±0.106)·10-6 | 861.99±30.03 | (8.092±0.282)·10-7 | 91.49±3.19 | 1.566·10-5 | 0.444±0.063 | 0.300±0.037 | CH3C(CH3)=CHCHO -> (CH3)2C=CH + CHO |
J(13062) | 196 | (6.480±0.225)·10-5 | (1.272±0.044)·10-5 | 627.94±21.94 | (3.173±0.110)·10-6 | 68.50±2.39 | 7.210·10-5 | 0.444±0.063 | 0.300±0.037 | CH3C(CH3)=CHCHO -> (CH3)2C=CH2 + CO |
J(13063) | 197 | (1.576±0.055)·10-5 | (7.752±0.269)·10-7 | 69.27±2.41 | (3.059±0.106)·10-6 | 619.60±21.54 | 1.750·10-5 | 0.445±0.063 | 0.300±0.037 | CH3C(CH3)=CHCHO -> (CH3)2C=CHCO + H |
J(82121) | 201 | (1.433±0.050)·10-3 | (7.389±0.257)·10-5 | 74.74±3.40 | (2.891±0.100)·10-4 | 674.57±30.44 | 1.606·10-3 | 0.444±0.063 | 0.300±0.037 | genbMeuAld(poly) |
J(83121) | 202 | (1.126±0.041)·10-3 | (1.085±0.039)·10-4 | 72.00±4.60 | (3.346±0.120)·10-4 | 602.04±37.33 | 1.314·10-3 | 0.496±0.064 | 0.304±0.038 | genbMeuAldOH(poly) |
J(13041) | 203 | (1.620±0.054)·10-5 | (2.618±0.087)·10-6 | 532.71±17.82 | (1.263±0.042)·10-6 | 57.52±1.92 | 1.756·10-5 | 0.423±0.061 | 0.293±0.035 | hexadienal -> 1-pentenyl radical + CHO |
J(13042) | 204 | (7.438±0.248)·10-5 | (5.738±0.191)·10-6 | 58.42±1.96 | (1.225±0.041)·10-5 | 549.99±18.47 | 8.088·10-5 | 0.423±0.061 | 0.293±0.035 | hexadienal -> 1,3-pentadiene + CO |
J(13043) | 205 | (1.803±0.060)·10-5 | (1.383±0.046)·10-6 | 58.89±1.97 | (2.999±0.100)·10-6 | 561.53±18.78 | 1.964·10-5 | 0.423±0.062 | 0.293±0.035 | hexadienal -> CH3CH=CHCH=CHCO + H |
J(82211) | 209 | (1.652±0.056)·10-3 | (1.247±0.042)·10-4 | 58.97±3.11 | (2.785±0.093)·10-4 | 567.48±28.62 | 1.803·10-3 | 0.422±0.062 | 0.294±0.035 | genluuALD(poly) |
J(83211) | 210 | (1.332±0.046)·10-3 | (1.239±0.043)·10-4 | 61.56±2.86 | (3.160±0.110)·10-4 | 571.31±26.22 | 1.504·10-3 | 0.464±0.063 | 0.298±0.036 | genluuALD(OHpoly) |
J(11081) | 212 | (6.519±0.265)·10-5 | (1.077±0.044)·10-4 | 52.74±2.28 | (1.293±0.053)·10-4 | 342.66±14.87 | 1.119·10-4 | 0.868±0.064 | 0.359±0.042 | n-C7H15CHO -> C7H15 + CHO |
J(15071) | 215 | (5.505±0.230)·10-6 | (1.962±0.082)·10-5 | 282.98±11.90 | (2.317±0.097)·10-5 | 48.36±2.03 | 1.122·10-5 | 1.041±0.063 | 0.392±0.043 | C8nALDOH -> NI products |
J(82071) | 218 | (6.649±0.270)·10-5 | (1.317±0.054)·10-4 | 340.49±14.73 | (1.095±0.045)·10-4 | 52.24±2.25 | 1.137·10-4 | 0.868±0.064 | 0.359±0.042 | nALDpoly(C>7) |
J(83061) | 219 | (2.209±0.092)·10-5 | (7.859±0.329)·10-5 | 281.91±11.87 | (9.265±0.387)·10-5 | 48.24±2.03 | 4.486·10-5 | 1.041±0.063 | 0.392±0.043 | nALDOHpoly(C>7) |
J(13081) | 220 | (6.524±0.234)·10-6 | (1.896±0.068)·10-6 | 582.28±20.94 | (5.517±0.198)·10-7 | 66.55±2.39 | 7.566·10-6 | 0.494±0.064 | 0.304±0.038 | luALD -> NI products |
J(13082) | 221 | (3.012±0.108)·10-5 | (2.525±0.091)·10-6 | 64.60±2.33 | (8.702±0.312)·10-6 | 571.03±20.63 | 3.485·10-5 | 0.494±0.064 | 0.304±0.038 | luALD -> alkene + CO |
J(13083) | 222 | (7.298±0.262)·10-6 | (6.172±0.222)·10-7 | 66.02±2.37 | (2.119±0.076)·10-6 | 579.72±20.86 | 8.460·10-6 | 0.494±0.064 | 0.304±0.038 | luALD -> acyl + H |
J(82181) | 226 | (6.672±0.240)·10-4 | (5.705±0.205)·10-5 | 68.72±2.63 | (1.953±0.070)·10-4 | 595.23±22.87 | 7.760·10-4 | 0.494±0.064 | 0.304±0.038 | genluALD(poly) |
J(83111) | 227 | (4.867±0.180)·10-4 | (2.108±0.078)·10-4 | 519.94±20.74 | (7.992±0.295)·10-5 | 63.84±2.53 | 5.946·10-4 | 0.554±0.065 | 0.309±0.039 | genluALD(OHpoly) |
J(21041) | 229 | (1.612±0.066)·10-5 | (5.897±0.243)·10-5 | 273.26±11.34 | (8.140±0.335)·10-5 | 46.45±1.93 | 3.255·10-5 | 1.052±0.062 | 0.393±0.042 | C2H5COC2H5 -> C2H5CO + C2H5 |
J(21031) | 230 | (3.469±0.141)·10-6 | (1.194±0.049)·10-5 | 278.87±11.45 | (1.521±0.062)·10-5 | 49.12±2.02 | 6.885·10-6 | 1.047±0.062 | 0.377±0.042 | C3H7COCH3 -> CH3CO + C3H7 |
J(21032) | 232 | (9.038±0.355)·10-7 | (3.574±0.141)·10-6 | 246.78±9.70 | (6.435±0.253)·10-6 | 44.14±1.74 | 1.772·10-6 | 1.130±0.059 | 0.353±0.040 | C3H7COCH3 -> C3H7 + CO + CH3 |
J(21033) | 233 | (4.953±0.201)·10-6 | (2.532±0.103)·10-5 | 45.80±1.87 | (1.733±0.070)·10-5 | 268.30±10.97 | 9.667·10-6 | 1.057±0.062 | 0.374±0.042 | C3H7COCH3 -> CH3C(OH)=CH2 + CH2=CH2 |
J(21051) | 234 | (8.047±0.337)·10-7 | (6.612±0.277)·10-6 | 202.18±8.46 | (1.570±0.066)·10-5 | 41.17±1.72 | 1.979·10-6 | 1.426±0.060 | 0.380±0.043 | C4H9COCH3 -> CH3CH=CH2 + CH2=C(OH)CH3 |
J(21061) | 235 | (4.313±0.178)·10-6 | (2.508±0.104)·10-5 | 48.29±2.01 | (1.855±0.077)·10-5 | 262.68±10.95 | 9.225·10-6 | 1.145±0.062 | 0.364±0.042 | C3H7COC2H5 -> C2H5CO + C3H7 |
J(21062) | 236 | (2.700±0.112)·10-6 | (1.160±0.048)·10-5 | 261.94±10.89 | (1.563±0.065)·10-5 | 48.16±2.00 | 5.760·10-6 | 1.146±0.062 | 0.363±0.042 | C3H7COC2H5 -> C3H7CO + C2H5 |
J(21063) | 237 | (2.406±0.099)·10-6 | (1.641±0.068)·10-5 | 42.91±1.78 | (1.036±0.043)·10-5 | 251.97±10.46 | 4.994·10-6 | 1.145±0.062 | 0.363±0.042 | C3H7COC2H5 -> C3H7 + CO + C2H5 |
J(21064) | 238 | (3.248±0.135)·10-6 | (1.396±0.058)·10-5 | 259.38±10.84 | (1.960±0.081)·10-5 | 46.78±1.96 | 6.880·10-6 | 1.145±0.062 | 0.364±0.043 | C3H7COC2H5 -> C2H5C(OH)=CH2 + CH2=CH2 |
J(21081) | 239 | (1.565±0.064)·10-5 | (8.521±0.351)·10-5 | 46.67±1.94 | (6.167±0.254)·10-5 | 266.12±11.04 | 3.225·10-5 | 1.093±0.062 | 0.383±0.042 | 4-heptanone -> NI products |
J(21091) | 241 | (1.565±0.064)·10-5 | (8.521±0.351)·10-5 | 46.67±1.94 | (6.167±0.254)·10-5 | 266.12±11.04 | 3.225·10-5 | 1.093±0.062 | 0.383±0.042 | 4-octanone -> NI products |
J(22131) | 260 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | n-C3H7COCH(CH3)2 -> NI products |
J(22141) | 261 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | n-C3H7COCH(CH3)2 -> i-C3H7COCH3 + C2H4 |
J(22151) | 262 | (2.032±0.085)·10-5 | (9.473±0.397)·10-5 | 47.58±2.01 | (7.561±0.317)·10-5 | 275.33±11.63 | 4.159·10-5 | 1.067±0.063 | 0.383±0.043 | CH3COCH2C(CH3)3 -> NI products |
J(22061) | 264 | (2.032±0.085)·10-5 | (9.473±0.397)·10-5 | 47.58±2.01 | (7.561±0.317)·10-5 | 275.33±11.63 | 4.159·10-5 | 1.067±0.063 | 0.383±0.043 | 2-Me-4-heptanone -> NI products |
J(22071) | 267 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | 3-Me-4-heptanone -> NI products |
J(22081) | 269 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | 2,2-Me-3-hexanone -> NI products |
J(22091) | 271 | (2.032±0.085)·10-5 | (9.473±0.397)·10-5 | 47.58±2.01 | (7.561±0.317)·10-5 | 275.33±11.63 | 4.159·10-5 | 1.067±0.063 | 0.383±0.043 | DIBK -> NI products |
J(22101) | 273 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | di-sec-butyl ketone -> NI products |
J(22161) | 274 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | di-sec-butyl ketone -> sec-C4H9COCH2CH3 + C2H4 |
J(22111) | 275 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | di-t-butyl ketone -> NI products |
J(22011) | 244 | (1.861±0.080)·10-5 | (7.049±0.303)·10-5 | 294.41±12.76 | (6.874±0.296)·10-5 | 51.54±2.23 | 4.016·10-5 | 1.042±0.065 | 0.405±0.044 | MIPK -> CH3CO + i-C3H7 |
J(22012) | 245 | (3.105±0.133)·10-6 | (1.176±0.050)·10-5 | 293.74±12.70 | (1.149±0.049)·10-5 | 51.27±2.22 | 6.690·10-6 | 1.042±0.065 | 0.405±0.044 | MIPK -> i-C3H7CO + CH3 |
J(22013) | 246 | (3.168±0.138)·10-7 | (7.535±0.328)·10-6 | 40.08±1.75 | (2.958±0.129)·10-6 | 201.95±8.80 | 8.408·10-7 | 1.387±0.061 | 0.467±0.044 | MIPK -> i-C3H7 + CO + CH3 |
J(22014) | 247 | (3.278±0.171)·10-7 | (1.090±0.057)·10-5 | 165.51±8.64 | (2.699±0.141)·10-5 | 39.53±2.06 | 1.647·10-6 | 1.483±0.067 | 0.962±0.053 | MIPK -> CH2=CHOH + CH3CH=CH2 |
J(22021) | 248 | (2.032±0.085)·10-5 | (9.473±0.397)·10-5 | 47.58±2.01 | (7.561±0.317)·10-5 | 275.33±11.63 | 4.159·10-5 | 1.067±0.063 | 0.383±0.043 | MIBK -> CH3CO + i-C4H9 |
J(22041) | 252 | (6.529±0.273)·10-6 | (2.383±0.099)·10-5 | 277.66±11.67 | (2.923±0.122)·10-5 | 47.84±2.01 | 1.330·10-5 | 1.061±0.063 | 0.381±0.043 | 4-Me-2-hexanone -> CH3C(OH)=CH2 + 2-butene |
J(22042) | 253 | (5.724±0.242)·10-7 | (3.911±0.166)·10-6 | 45.57±1.93 | (2.647±0.112)·10-6 | 255.01±10.80 | 1.245·10-6 | 1.141±0.063 | 0.397±0.043 | 4-Me-2-hexanone -> CH3C(OH)=CH2 + 1-butene |
J(22031) | 254 | (1.591±0.066)·10-5 | (5.875±0.243)·10-5 | 271.29±11.30 | (7.563±0.313)·10-5 | 47.27±1.97 | 3.213·10-5 | 1.085±0.063 | 0.365±0.042 | 5-Me-2-hexanone -> CH3CO + CH2CH2CH(CH3)2 |
J(22051) | 258 | (2.997±0.128)·10-5 | (1.196±0.051)·10-4 | 279.85±12.75 | (1.356±0.058)·10-4 | 49.10±2.23 | 6.432·10-5 | 1.075±0.064 | 0.398±0.044 | CH3CH(CH3)COCH(CH3)2 -> i-C3H7CO + i-C3H7 |
J(24011) | 276 | (2.951±0.108)·10-4 | (8.301±0.303)·10-5 | 59.31±2.33 | (1.553±0.057)·10-4 | 443.93±17.47 | 3.659·10-4 | 0.591±0.064 | 0.302±0.038 | c-C3H4O -> C2H4 + CO |
J(24012) | 277 | (1.619±0.057)·10-4 | (1.386±0.049)·10-5 | 87.60±3.16 | (6.335±0.222)·10-5 | 608.74±22.06 | 1.978·10-4 | 0.527±0.063 | 0.298±0.037 | c-C3H4O -> further products |
J(84011) | 278 | (4.813±0.172)·10-4 | (2.169±0.078)·10-4 | 471.45±18.33 | (9.432±0.338)·10-5 | 62.27±2.40 | 5.849·10-4 | 0.563±0.063 | 0.299±0.038 | genC3cKet |
J(24021) | 279 | (1.668±0.074)·10-5 | (7.729±0.341)·10-5 | 48.86±2.17 | (7.481±0.330)·10-5 | 291.01±12.93 | 3.921·10-5 | 1.026±0.065 | 0.472±0.045 | c-C4H6O -> C2H4 + CH2=C=O |
J(24022) | 281 | (5.534±0.243)·10-6 | (2.610±0.114)·10-5 | 282.94±12.49 | (2.958±0.130)·10-5 | 48.11±2.12 | 1.313·10-5 | 1.051±0.064 | 0.471±0.045 | c-C4H6O -> c-C3H6 + CO |
J(84021) | 282 | (2.371±0.104)·10-5 | (1.173±0.051)·10-4 | 48.51±2.14 | (1.087±0.048)·10-4 | 287.52±12.68 | 5.597·10-5 | 1.038±0.065 | 0.471±0.045 | genC4cKet |
J(24031) | 283 | (6.474±0.296)·10-6 | (4.268±0.195)·10-5 | 249.87±11.50 | (6.009±0.275)·10-5 | 46.75±2.15 | 1.702·10-5 | 1.172±0.066 | 0.497±0.047 | c-C5H8O -> 2 C2H4 + CO |
J(24032) | 284 | (4.143±0.189)·10-6 | (2.729±0.125)·10-5 | 249.86±11.48 | (3.831±0.175)·10-5 | 46.86±2.15 | 1.089·10-5 | 1.174±0.066 | 0.496±0.047 | c-C5H8O -> c-C4H8 + CO |
J(24033) | 285 | (3.407±0.146)·10-5 | (2.343±0.100)·10-5 | 84.26±3.64 | (6.945±0.297)·10-5 | 482.80±20.89 | 6.808·10-5 | 0.785±0.068 | 0.404±0.044 | c-C5H8O -> CH2=CHCH2CH2CHO |
J(84031) | 286 | (5.341±0.225)·10-5 | (1.421±0.060)·10-4 | 330.35±14.87 | (1.202±0.051)·10-4 | 52.99±2.38 | 1.028·10-4 | 0.925±0.065 | 0.393±0.043 | genC5cKet |
J(24041) | 287 | (9.841±0.409)·10-6 | (2.189±0.091)·10-5 | 356.46±14.93 | (1.501±0.062)·10-5 | 56.79±2.38 | 1.807·10-5 | 0.881±0.065 | 0.374±0.043 | c-C6H10O -> 5-hexenal |
J(24042) | 289 | (5.156±0.236)·10-7 | (2.782±0.128)·10-5 | 38.60±1.77 | (9.073±0.416)·10-6 | 175.57±8.06 | 1.755·10-6 | 1.523±0.061 | 0.636±0.046 | c-C6H10O -> 1-pentene + CO |
J(84041) | 290 | (2.998±0.123)·10-5 | (6.861±0.281)·10-5 | 50.90±2.10 | (7.230±0.296)·10-5 | 318.37±13.14 | 5.413·10-5 | 0.928±0.064 | 0.364±0.042 | genC6cKet |
J(24051) | 291 | (5.571±0.232)·10-6 | (9.468±0.395)·10-6 | 56.27±2.36 | (1.307±0.055)·10-5 | 346.25±14.55 | 1.035·10-5 | 0.900±0.065 | 0.376±0.043 | c-C7H12O -> 6-heptenal |
J(24052) | 293 | (1.391±0.066)·10-6 | (3.413±0.163)·10-5 | 41.83±2.01 | (1.599±0.076)·10-5 | 199.69±9.57 | 4.170·10-6 | 1.445±0.066 | 0.506±0.048 | c-C7H12O -> 1-hexene + CO |
J(84051) | 294 | (2.580±0.107)·10-5 | (7.099±0.295)·10-5 | 309.91±12.96 | (7.079±0.294)·10-5 | 50.70±2.12 | 4.882·10-5 | 0.958±0.064 | 0.377±0.043 | genC7cKet |
J(23021) | 295 | (4.826±0.182)·10-6 | (4.304±0.162)·10-6 | 52.65±1.99 | (5.334±0.201)·10-6 | 361.74±13.64 | 6.859·10-6 | 0.749±0.063 | 0.311±0.039 | CH3CH2COCH=CH2 -> C2H5 + C2H3CO |
J(85011) | 298 | (6.587±0.238)·10-4 | (2.185±0.079)·10-4 | 551.65±21.36 | (7.032±0.254)·10-5 | 65.19±2.50 | 7.749·10-4 | 0.512±0.064 | 0.304±0.038 | genuKet(poly) |
J(25021) | 299 | (2.294±0.081)·10-5 | (6.781±0.239)·10-5 | 45.92±1.63 | (4.460±0.157)·10-5 | 261.00±9.26 | 3.464·10-5 | 0.955±0.057 | 0.267±0.036 | CH3COC2H4OH -> CH3 + COCH2CH2OH |
J(25031) | 301 | (6.025±0.219)·10-6 | (6.451±0.235)·10-5 | 42.02±1.54 | (2.938±0.107)·10-5 | 213.72±7.83 | 1.175·10-5 | 1.309±0.055 | 0.265±0.037 | CH3COCH(OH)CH3 -> CH3CO + CH3CHOH |
J(25041) | 303 | (3.872±0.138)·10-5 | (5.589±0.199)·10-5 | 45.45±1.64 | (3.522±0.126)·10-5 | 293.03±10.53 | 4.941·10-5 | 0.724±0.061 | 0.288±0.037 | CH3COC(CH3)2OH -> CH3 + (CH3)2C(OH)CO |
J(25081) | 304 | (2.075±0.089)·10-5 | (1.353±0.058)·10-4 | 46.84±2.03 | (9.967±0.430)·10-5 | 262.53±11.39 | 4.710·10-5 | 1.117±0.064 | 0.430±0.044 | CH3COCH2C(CH3)2OH -> CH3COCH2 + CH3C(OH)CH3 |
J(26011) | 310 | (3.752±0.140)·10-4 | (5.080±0.190)·10-5 | 64.66±2.53 | (1.535±0.057)·10-4 | 541.51±21.38 | 4.559·10-4 | 0.546±0.066 | 0.312±0.039 | CH2=C=O -> CO2 + CO + H2 |
J(26012) | 311 | (5.596±0.199)·10-4 | (1.014±0.036)·10-4 | 689.98±25.81 | (2.382±0.085)·10-5 | 69.47±2.59 | 6.208·10-4 | 0.440±0.065 | 0.305±0.038 | CH3CH=C=O -> C2H4 + CO |
J(86011) | 312 | (9.422±0.305)·10-4 | (9.862±0.319)·10-5 | 650.11±23.09 | (2.276±0.074)·10-5 | 64.65±2.25 | 9.999·10-4 | 0.376±0.061 | 0.291±0.034 | genKete(poly) |
J(33011) | 313 | (5.168±0.164)·10-6 | (2.042±0.065)·10-7 | 72.57±2.30 | (7.889±0.249)·10-7 | 641.20±20.29 | 5.627·10-6 | 0.406±0.059 | 0.283±0.033 | CHOCH=CHCHO -> 3H-furan-2-one |
J(88111) | 314 | (4.316±0.137)·10-4 | (6.564±0.208)·10-5 | 622.08±20.86 | (1.721±0.055)·10-5 | 66.30±2.20 | 4.691·10-4 | 0.406±0.059 | 0.283±0.034 | uDICARaa(poly) |
J(33021) | 315 | (6.097±0.172)·10-5 | (5.691±0.161)·10-6 | 613.23±17.39 | (1.938±0.055)·10-6 | 69.53±1.97 | 6.420·10-5 | 0.348±0.055 | 0.268±0.030 | CH3COCH=CHCHO -> 5Me-3H-2-furanone |
J(33022) | 316 | (2.905±0.082)·10-4 | (3.082±0.087)·10-5 | 464.21±14.07 | (1.064±0.030)·10-5 | 52.68±1.55 | 3.050·10-4 | 0.361±0.055 | 0.267±0.030 | CH3COCH=CHCHO -> CH3 + CHOCH=CHCO |
J(33023) | 317 | (4.089±0.116)·10-4 | (1.532±0.043)·10-5 | 71.67±2.13 | (4.344±0.123)·10-5 | 608.61±17.93 | 4.335·10-4 | 0.357±0.055 | 0.267±0.030 | CH3COCH=CHCHO -> CH3COCH=CH2 + CO |
J(88121) | 319 | (1.227±0.035)·10-3 | (3.635±0.103)·10-5 | 64.13±2.38 | (1.100±0.031)·10-4 | 530.09±20.73 | 1.284·10-3 | 0.348±0.055 | 0.268±0.030 | uDICARak(poly) |
J(33041) | 320 | (2.882±0.087)·10-3 | (2.677±0.080)·10-4 | 429.80±19.48 | (9.718±0.290)·10-4 | 28.24±1.58 | 3.001·10-3 | 0.354±0.057 | 0.279±0.032 | CHOCH=CHCH=CHCHO -> diformyl cyclobutene |
J(33031) | 321 | (3.718±0.125)·10-4 | (1.099±0.037)·10-4 | 527.60±18.88 | (4.251±0.143)·10-5 | 67.38±2.41 | 4.286·10-4 | 0.491±0.061 | 0.289±0.035 | CH3COCH=CHCOCH3 -> CH3CO + CH=CHCOCH3 |
J(34011) | 322 | (9.447±0.387)·10-5 | (2.302±0.094)·10-4 | 51.08±2.24 | (2.393±0.098)·10-4 | 319.14±14.04 | 1.746·10-4 | 0.935±0.064 | 0.372±0.042 | pinonaldehyde -> R + CO + HO2 |
J(34021) | 323 | (4.443±0.191)·10-5 | (2.020±0.087)·10-4 | 49.11±2.25 | (1.822±0.078)·10-4 | 291.89±13.42 | 9.952·10-5 | 1.018±0.064 | 0.452±0.044 | caronaldehyde -> R + CO + HO2 |
J(41051) | 324 | (1.921±0.076)·10-6 | (8.130±0.320)·10-6 | 234.74±9.24 | (1.642±0.065)·10-5 | 41.88±1.65 | 3.755·10-6 | 1.181±0.060 | 0.330±0.040 | n-C5H11ONO2 -> n-C5H11O + NO2 |
J(41131) | 325 | (2.039±0.081)·10-6 | (2.254±0.089)·10-5 | 41.33±1.65 | (1.012±0.040)·10-5 | 225.31±8.96 | 4.184·10-6 | 1.234±0.059 | 0.341±0.040 | 2-C5H11ONO2 -> 2-C5H11O + NO2 |
J(41141) | 326 | (1.929±0.077)·10-6 | (1.087±0.044)·10-5 | 219.04±8.83 | (2.514±0.101)·10-5 | 40.99±1.65 | 4.133·10-6 | 1.280±0.059 | 0.352±0.041 | 3-C5H11ONO2 -> 3-C5H11O + NO2 |
J(41151) | 327 | (1.969±0.079)·10-6 | (2.365±0.094)·10-5 | 41.24±1.66 | (1.043±0.042)·10-5 | 222.32±8.94 | 4.134·10-6 | 1.256±0.059 | 0.347±0.041 | C5H11ONO2 -> C5H11O + NO2 |
J(44011) | 328 | (6.283±0.259)·10-7 | (1.604±0.066)·10-5 | 38.73±1.60 | (5.458±0.225)·10-6 | 193.10±7.95 | 1.521·10-6 | 1.451±0.059 | 0.378±0.042 | c-C5H11ONO2 -> c-C5H11O + NO2 |
J(42011) | 329 | (2.017±0.076)·10-6 | (1.585±0.060)·10-5 | 41.96±1.58 | (7.456±0.281)·10-6 | 234.65±8.84 | 3.698·10-6 | 1.148±0.058 | 0.307±0.039 | i-C4H9ONO2 -> i-C4H9O + NO2 |
J(42031) | 330 | (4.050±0.157)·10-6 | (2.768±0.107)·10-5 | 43.45±1.69 | (1.549±0.060)·10-5 | 241.30±9.40 | 7.691·10-6 | 1.152±0.059 | 0.320±0.040 | i-C5H11ONO2 -> i-C5H11O + NO2 |
J(45021) | 331 | (3.423±0.155)·10-8 | (9.937±0.450)·10-7 | 148.52±6.73 | (4.731±0.214)·10-6 | 33.88±1.53 | 1.285·10-7 | 1.631±0.059 | 0.794±0.046 | C1(OH)NO3 -> C1(OH)O + NO2 |
J(45031) | 332 | (5.530±0.250)·10-8 | (1.671±0.076)·10-6 | 147.15±6.67 | (7.760±0.351)·10-6 | 34.31±1.55 | 2.105·10-7 | 1.663±0.059 | 0.787±0.046 | R(OH)NO3 -> R(OH)O + NO2 |
J(45041) | 333 | (2.831±1.276)·10-9 | (2.296±1.035)·10-5 | 27.55±12.42 | (6.246±2.815)·10-6 | 69.45±31.31 | 4.335·10-8 | 4.091±0.512 | 1.420±0.452 | iR(OH)NO3 -> iR(OH)O + NO2 |
J(45051) | 334 | (1.806±0.084)·10-7 | (4.469±0.208)·10-6 | 163.62±7.63 | (1.601±0.075)·10-5 | 36.20±1.69 | 7.079·10-7 | 1.500±0.061 | 0.819±0.047 | tR(OH)NO3 -> tR(OH)O + NO2 |
J(48031) | 335 | (6.062±0.223)·10-7 | (1.650±0.061)·10-6 | 243.15±8.95 | (3.828±0.141)·10-6 | 40.23±1.48 | 9.980·10-7 | 1.036±0.058 | 0.299±0.038 | PAN -> RCO(OO) + NO2 |
J(48032) | 336 | (3.873±0.143)·10-7 | (2.447±0.090)·10-6 | 40.36±1.49 | (1.053±0.039)·10-6 | 243.84±8.99 | 6.384·10-7 | 1.035±0.058 | 0.300±0.038 | PAN -> RCO(O) + NO3 |
J(51011) | 337 | (1.205±0.044)·10-5 | (2.077±0.076)·10-5 | 282.15±10.46 | (3.313±0.122)·10-5 | 44.45±1.65 | 1.807·10-5 | 0.885±0.060 | 0.303±0.038 | CH3CH(NO3)CH2NO3 -> CH3CH(NO3)CH2O + NO2 |
J(51021) | 339 | (1.663±0.063)·10-5 | (3.465±0.131)·10-5 | 45.20±1.72 | (2.474±0.094)·10-5 | 305.14±11.62 | 2.450·10-5 | 0.831±0.062 | 0.316±0.039 | C2H5CH(NO3)CH2NO3 -> C2H5CH(NO3)CH2O + NO2 |
J(51031) | 341 | (1.196±0.044)·10-5 | (3.658±0.135)·10-5 | 43.58±1.62 | (2.206±0.082)·10-5 | 275.02±10.24 | 1.815·10-5 | 0.905±0.060 | 0.303±0.038 | CH3CH(NO3)CH(NO3)CH3 -> RO. + NO2 |
J(53011) | 342 | (8.129±0.313)·10-6 | (2.725±0.105)·10-5 | 45.46±1.76 | (1.977±0.076)·10-5 | 283.63±10.98 | 1.390·10-5 | 0.978±0.061 | 0.318±0.040 | CH2(NO3)CH=CHCH2NO3 -> RO. + NO2 |
J(53021) | 343 | (7.145±0.264)·10-6 | (2.492±0.092)·10-5 | 43.71±1.63 | (1.479±0.055)·10-5 | 271.87±10.11 | 1.124·10-5 | 0.942±0.059 | 0.302±0.038 | CH2=CHCH(NO3)CH2NO3 -> CH2=CHCH(NO3)CH2O + NO2 |
J(62011) | 348 | (2.095±0.936)·10-9 | (1.166±0.521)·10-5 | 29.99±13.41 | (4.842±2.164)·10-6 | 73.16±32.71 | 4.268·10-8 | 3.915±0.508 | 1.489±0.448 | (CH3)3COOH -> (CH3)3CO + OH |
J(81021) | 349 | (1.839±0.073)·10-5 | (6.129±0.244)·10-5 | 263.30±10.54 | (9.168±0.364)·10-5 | 45.49±1.82 | 3.465·10-5 | 1.075±0.061 | 0.341±0.041 | C2H5COCH2NO3 -> C2H5COCH2O + NO2 |
J(81031) | 350 | (3.946±0.155)·10-5 | (9.607±0.378)·10-5 | 290.51±12.22 | (1.179±0.046)·10-4 | 47.82±2.02 | 6.834·10-5 | 0.969±0.062 | 0.334±0.041 | CH3COCH(NO3)CH3 -> CH3COCH(O.)CH3 + NO2 |
J(81111) | 352 | (4.480±0.166)·10-5 | (6.160±0.228)·10-5 | 295.53±10.99 | (1.015±0.038)·10-4 | 43.87±1.63 | 6.368·10-5 | 0.820±0.061 | 0.301±0.038 | CH3COCH2CH2CH(OOH)CH3 -> RO. + OH |
J(81121) | 353 | (1.600±0.061)·10-4 | (2.245±0.086)·10-4 | 45.01±1.85 | (1.681±0.064)·10-4 | 336.65±13.66 | 2.195·10-4 | 0.736±0.064 | 0.319±0.040 | oxohexyl-hydroperoxide -> RO. + OH |
J(71011) | 354 | (2.572±4.955)·10-1 | (3.438±1.779)·10-2 | 585.87±699.61 | (9.798±2.483)·10-3 | 63.88±62.83 | 2.762·10-1 | 0.392±0.059 | 0.283±0.033 | CH2OO -> HCHO + O(3P) |
J(71021) | 355 | (2.012±3.732)·10-1 | (1.504±0.531)·10-2 | 59.86±76.47 | (4.202±4.302)·10-2 | 508.96±821.41 | 2.224·10-1 | 0.445±0.060 | 0.283±0.034 | CH3CHOO -> CH3CHO + O(3P) |
J(71022) | 356 | (1.457±2.100)·10-1 | (1.530±0.596)·10-2 | 63.13±99.26 | (4.335±4.625)·10-2 | 529.76±958.63 | 1.682·10-1 | 0.498±0.063 | 0.296±0.037 | synCH3CHOO -> CH3CHO + O(3P) |
J(71023) | 357 | (3.998±9.076)·10-1 | (3.657±0.327)·10-3 | 70.39±25.47 | (1.989±0.457)·10-2 | 626.60±347.01 | 4.112·10-1 | 0.302±0.054 | 0.269±0.029 | antiCH3CHOO -> CH3CHO + O(3P) |
J(71031) | 358 | (2.593±2.489)·10-1 | (1.257±1.054)·10-1 | 647.50±1403.53 | (2.801±0.924)·10-2 | 74.74±137.57 | 3.328·10-1 | 0.555±0.067 | 0.323±0.040 | C2H5CHOO -> C2H5CHO + O(3P) |
J(72011) | 359 | (2.435±2.614)·10-1 | (1.113±1.141)·10-1 | 609.77±1330.30 | (2.606±0.791)·10-2 | 76.17±137.30 | 3.065·10-1 | 0.551±0.066 | 0.315±0.039 | (CH3)2COO -> CH3COCH3 + O(3P) |
J(46011) | 360 | (1.077±0.041)·10-5 | (2.394±0.090)·10-5 | 46.00±1.75 | (1.771±0.067)·10-5 | 298.33±11.32 | 1.626·10-5 | 0.864±0.061 | 0.309±0.039 | CH3NO2 -> CH3 + NO2 |
J(46012) | 361 | (3.033±0.113)·10-5 | (3.492±0.130)·10-5 | 47.96±1.80 | (3.166±0.118)·10-5 | 336.01±12.61 | 4.153·10-5 | 0.743±0.063 | 0.305±0.039 | RNO2 -> alkene + HONO |
J(46021) | 362 | (3.607±0.157)·10-6 | (2.532±0.110)·10-5 | 254.09±11.13 | (3.958±0.172)·10-5 | 44.62±1.95 | 1.001·10-5 | 1.088±0.062 | 0.585±0.044 | C2H5NO2 -> C2H5 + NO2 |
J(46022) | 363 | (6.756±0.298)·10-6 | (5.797±0.256)·10-5 | 46.01±2.04 | (4.323±0.190)·10-5 | 272.78±12.10 | 1.877·10-5 | 1.028±0.063 | 0.591±0.045 | C2H5NO2 -> C2H4 + HONO |
J(21071) | 364 | (1.565±0.064)·10-5 | (8.521±0.351)·10-5 | 46.67±1.94 | (6.167±0.254)·10-5 | 266.12±11.04 | 3.225·10-5 | 1.093±0.062 | 0.383±0.042 | lKET5 -> products |
Changes in the MCM/GECKO-A version compared to the original TUV
Adding reactions to TUV
Linking TUV to box models
Mono-aldehydes
Mono-ketones
Ketenes
Polycarbonyls
Organic nitrogen compounds
Organic hydroperoxides and PAAs
Criegee intermediates
Polyfunctional chromophores
MCM/GECKO-A reaction numbers
MCMv3.x reaction numbers
MCM/GECKO-A parameterisations