序号 | 保留时间(min) | CAS号 | 中文名称 | LogP | LogD (pH = 3) | LogD (pH = 7) | LogD (pH = 11) | 匹配度 |
1 | 8.876 | 152-18-1 | O,O,O-三甲基硫代磷酸酯 | 1.00 | 1.00 | 1.00 | 1.00 | 95.2% |
2 | 9.327 | 124-18-5 | 癸烷 | 4.91 | 4.91 | 4.91 | 4.91 | 44.5% |
3 | 11.323 | 55429-29-3 | 亚砷酸三(三甲基甲硅烷基)酯 | 5.70 | 5.70 | 5.70 | 5.70 | 58.7% |
4 | 13.876 | 556-67-2 | 环四聚二甲基硅氧烷 | 0.77 | 0.77 | 0.77 | 0.77 | 42.1% |
5 | 14.371 | 2953-29-9 | O,O,S-三甲基二硫代磷酸酯 | 1.52 | 1.52 | 1.52 | 1.52 | 98.7% |
6 | 14.802 | 141-63-9 | 十二甲基五硅氧烷 | 3.60 | 3.60 | 3.60 | 3.60 | 89.7% |
7 | 17.743 | 2471-83-2 91-57-6 | 1-亚乙基-1H-茚 2-甲基萘 | 3.13 3.48 | 3.13 3.48 | 3.13 3.48 | 3.13 3.48 | 33.4% 21.5% |
8 | 18.287 | 85-44-9 88-99-3 | 邻苯二甲酸酐 邻苯二甲酸 | 1.42 -0.54 | 1.42 -0.54 | 1.42 -1.99 | 1.42 -2.00 | 43.5% 40.2% |
9 | 20.856 | 100813-60-3 | 3-甲氧基-4,7-二甲基-1H-异吲哚 | - | - | - | - | 62.1% |
10 | 23.287 | 96-76-4 5875-45-6 | 2,4-二叔丁基苯酚 2,5-二叔丁基苯酚 | 4.76 4.76 | 4.76 4.76 | 4.76 4.76 | 4.39 4.26 | 46.5% 23.4% |
11 | 25.274 | 84-66-2 | 邻苯二甲酸二乙酯 | 2.69 | 2.69 | 2.69 | 2.69 | 59.2% |
12 | 25.333 | 14905-56-7 | 2,6,10-三甲基十四烷 | 7.55 | 7.55 | 7.55 | 7.55 | 8.5% |
13 | 25.541 | 77-53-2 | 雪松醇 | 3.19 | 3.19 | 3.19 | 3.19 | 59.4% |
14 | 26.856 | - | N,N,S-三甲基-4-巯基苯胺 | - | - | - | - | 31.7% |
15 | 28.268 | 60-51-5 | 乐果 | 0.34 | 0.34 | 0.34 | 0.34 | 98.8% |
16 | 28.901 | - | 2-羧基苯甲酸异丁酯 | - | - | - | - | 46.6% |
17 | 29.545 | 112-88-9 | 1-十八碳烯 | 8.16 | 8.16 | 8.16 | 8.16 | 5.9% |
18 | 29.874 | - | 2-羧基苯甲酸异丁酯 | - | - | - | - | 56.4% |
19 | 31.139 | 84-69-5 - | 邻苯二甲酸二异丁酯 邻苯二甲酸(4-庚基)异丁酯 | 4.44 - | 4.44 - | 4.44 - | 4.44 - | 14.4% 6.8% |
20 | 32.066 | 89-18-9 84-69-5 | 邻苯二甲酸二(丁基-8-甲基壬基)酯 邻苯二甲酸二异丁酯 | 7.65 4.44 | 7.65 4.44 | 7.65 4.44 | 7.65 4.44 | 6.4% 5.3% |
21 | 32.238 | 112-39-0 | 棕榈酸甲酯 | 6.40 | 6.40 | 6.40 | 6.40 | 68.7% |
22 | 32.876 | 57-10-3 | 棕榈酸 | 6.25 | 6.25 | 4.22 | 2.73 | 71.9% |
23 | 32.989 | 84-74-2 | 邻苯二甲酸二丁酯 | 4.63 | 4.63 | 4.63 | 4.63 | 27.6% |
24 | 35.998 | 112-61-8 | 硬脂酸甲酯 | 7.29 | 7.29 | 7.29 | 7.29 | 78.7% |
25 | 36.583 | 57-11-4 | 硬脂酸 | 7.14 | 7.14 | 5.11 | 3.62 | 71.2% |
26 | 41.507 | 65598-89-2 | (3S,5S,8R,9S,10S,13S,14S)-10,13-二甲基-3-(三丙基硅杂氧基)-十四氢-2H-环戊二烯并[a]菲-17(14H)-酮 | 8.42 | 8.42 | 8.42 | 8.42 | 13.4% |
27 | 42.148 | 65598-04-1 | 1-二甲基(苯基)甲硅烷氧基十八烷 | - | - | - | - | 48.2% |
28 | 42.340 | - | C31H58O2Si | - | - | - | - | 41.7% |
29 | 42.651 | 141-62-8 | 癸甲基四硅氧烷 | 3.41 | 3.41 | 3.41 | 3.41 | 61.1% |
30 | 42.958 | 27554-26-3 | 邻苯二甲酸二异辛酯 | 7.87 | 7.87 | 7.87 | 7.87 | 29.8% |