为走航而生!---高质量分辨率PTR-TOFMS在走航应用中的若干知识点一文中,我们仔细阐述了高质量分辨率TOF(飞行时间质谱仪)对‘精确无误的区分同标称质量的不同大气污染物’这一关键指标的决定性作用。
基于我们在长三角乃至全国各地的走航经验和数据累积,并结合现有的科学文献,我们初步总结了VOCs走航监测中可能遇到的同标称质量分子(不完全)列表。
今日知识点:下表列出的同标称质量分子需要不少于3000的质量分辨率才能清晰鉴别!
molar mass 摩尔质量 | exact mass 质子化后精确质量 | 分子式 [M+H+] | 中文名 | 英文名 |
45 | 46.029 | CH3NOH+ | 甲酰胺 | Foramide |
46.066 | C2H7NH+ | 二甲胺/乙胺 | Dimethylamine; Ethylamine | |
46 | 47.013 | CH2O2H+ | 甲酸 | Formic acid |
47.049 | C2H6OH+ | 乙醇 | Ethanol | |
48 | 49.011 | CH4SH+ | 甲硫醇 | Methanethiol |
49.028 | CH4O2H+ | 甲二醇 | Methane diol | |
56 | 57.033 | C3H4OH+ | 丙烯醛 | Acrolein |
57.070 | C4H8H+ | 丁烯,顺式-2-丁烯,反式-2-丁烯 | 1-butene; cis-2-butene; trans-2-butene | |
58 | 59.013 | C2H2O2H+ | 乙二醛 | Glyoxal |
59.049 | C3H6OH+ | 丙酮/丙醛 | Acetone; propanal | |
59 | 60.044 | C2H5NOH+ | 乙酰胺 | Acetamide |
60.081 | C3H9NH+ | 三甲胺 | Trimethylamine | |
60 | 61.028 | C2H4O2H+ | 乙酸 | Acetic acid |
61.065 | C3H8OH+ | 1-丙醇 | 1-propanol | |
62 | 63.027 | C2H6SH+ | 二甲基硫 | Dimethylsulfide |
63.044 | C2H6O2H+ | 1,2-乙二醇 | 1,2-ethanediol | |
68 | 69.033 | C4H4OH+ | 呋喃 | Furan |
69.070 | C5H8H+ | 异戊二烯/环戊烯 | Isoprene; cyclopentene | |
70 | 71.013 | C3H2O2H+ | 丙炔酸 | Propiolic acid |
71.049 | C4H6OH+ | 丁烯酮 | Methyl vinyl ketone | |
71.086 | C5H10H+ | 戊烯 | Pentene | |
72 | 73.029 | C3H4O2H+ | 丙烯酸 | Acrylic acid |
73.065 | C4H8OH+ | 丁醛/2-丁酮 | Butanal/2-butanone | |
73 | 74.061 | C3H7NOH+ | 二甲基甲酰胺 | Dimethylformamide |
74.096 | C4H11NH+ | 二乙胺 | Diethylamine | |
74 | 75.044 | C3H6O2H+ | 丙酸 | Propanoic acid |
75.080 | C4H10OH+ | 丁醇 | Butanol | |
88 | 89.023 | C3H4O3H+ | 丙酮酸 | Pyruvic acid
|
89.060 | C4H8O2H+ | 乙酸乙酯 | Ethyl acetate | |
94 | 94.999 | C2H6S2H+ | 二甲基二硫醚 | Dimethyl disulfide |
95.049 | C6H6OH+ | 苯酚 | Phenol | |
96 | 97.045 | C6H5FH+ | 氟苯 | Fluorobenzene |
97.065 | C6H8OH+ | 2-乙基呋喃 | 2-ethylfuran | |
98 | 99.080 | C6H10OH+ | 环己酮 | Cyclohexanone |
99.117 | C7H14H+ | 庚烯 | 1-heptene | |
106 | 107.049 | C7H6OH+ | 苯甲醛 | Benzaldehyde |
107.049 | C8H10H+ | 乙苯/二甲苯 | Ethylbenzene; Xylenes | |
112 | 113.016 | C6H5ClH+ | 氯苯 | Chlorobenzene |
113.132 | C8H16H+ | 正辛烯 | 1-octene | |
120 | 121.065 | C8H8OH+ | 苯乙酮 | Acetophenone |
121.101 | C9H12H+ | 三甲苯 | Trimethyl benzene | |
128 | 129.070 | C10H8H+ | 萘 | Naphthalene |
129.127 | C8H16OH+ | 辛醛 | Octanal |
参考文献:
Pagonis, D., Sekimoto, K. and de Gouw, J. A.: A library of proton-transfer reactions of H3O+ ions used for trace gas detection, J. Am. Soc. Mass Spectrom., 30, 1330–1335, doi:10.1007/s13361-019-02209-3, 2019.
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