Data for: Thiophenes as potential contributors to the formation of organosulfates and sulfonates in urban atmospheric aerosols

Organosulfates and sulfonates (OSs) are important components of atmospheric aerosols and may have implications for climate and human health. Despite extensive research on the formation of OSs, the origins of over 50% of OSs in ambient aerosols remain unknown. Here we demonstrate that thiophenes, emitted from multiple anthropogenic sources (e.g., coke fuel production) and contributing ~44 Gg of sulfur emissions annually, are previously unrecognized potential OS precursors in the urban atmosphere. For instance, C5H8O5S and C4H6O5S were previously detected in the urban atmosphere, but their origins were unknown. Our study identified these two OSs as products of the nighttime oxidation of 2-methylthiophene, suggesting that 2-methylthiophene may act as a potential precursor for C5H8O5S and C4H6O5S in ambient aerosols. Both 2-methylthiophene and benzothiophene can lead to the formation of OSs that were solely attributed to the photooxidation of isoprene and naphthalenes in prior field studies..., , , # Thiophenes as potential contributors to the formation of organosulfates and sulfonates in urban atmospheric aerosols

[https://doi.org/10.5061/dryad.b5mkkwhnm](https://doi.org/10.5061/dryad.b5mkkwhnm)

This dataset includes the chemical characterization results of organosulfates and sulfonates (OSs) from LC-ESI(−)-QQQ-MS, LC-ESI(−)-Q-ToFMS, and FIGAERO-ToF-CIMS.

#### Description of the data and file structure

All the data files are named with experimental or technical details, categorized by their prefix, as shown below. m/z ratio stands for mass-to-charge ratio. Ion intensity- the number of ions (counts) detected over time.

(1)   FIGAERO-CIMS_: aerosol-phase mass spectrum from FIGAERO-ToF-CIMS.

For example, “FIGAERO-CIMS_MassSpec_Thiophene SOA_aerosol phase.txt” means the data of aerosol-phase mass spectrum of the thiophene SOA samples (first column: *m/z*; second column: ion intensity).

(2)   MassSpec_: background-subtracted ESI(−) mass spectrum of the precursor ions.

For ex...,

有机硫酸盐与磺酸盐（Organosulfates and sulfonates, OSs）是大气气溶胶的重要组成部分，可能对气候与人体健康产生影响。尽管学界已针对OSs的生成机制开展了大量研究，但环境气溶胶中超过50%的OSs来源仍未明确。本研究证实，多种人为源排放的噻吩（thiophenes，如焦炭燃料生产过程）每年贡献约44 Gg的硫排放，此前该类物质未被识别为城市大气中OSs的潜在前驱体。例如，C5H8O5S与C4H6O5S此前已在城市大气中被检出，但其来源不明。本研究鉴定出这两种OSs为2-甲基噻吩（2-methylthiophene）夜间氧化的产物，表明2-甲基噻吩（2-methylthiophene）可能是环境气溶胶中C5H8O5S与C4H6O5S的潜在前驱体。过往野外研究中，OSs的生成仅被归因于异戊二烯（isoprene）与萘（naphthalenes）的光氧化过程，但2-甲基噻吩（2-methylthiophene）与苯并噻吩（benzothiophene）均可促成这类OSs的形成……

# 噻吩作为城市大气气溶胶中有机硫酸盐与磺酸盐生成的潜在贡献者

https://doi.org/10.5061/dryad.b5mkkwhnm

本数据集包含通过液相色谱-电喷雾电离三重四极杆质谱（LC-ESI(-)-QQQ-MS）、液相色谱-电喷雾电离飞行时间质谱（LC-ESI(-)-Q-ToFMS）以及FIGAERO-ToF-CIMS测得的有机硫酸盐与磺酸盐（OSs）的化学表征结果。

#### 数据与文件结构说明
所有数据文件均根据实验或技术细节命名，并按前缀进行分类，具体规则如下。m/z 即质荷比（mass-to-charge ratio）；离子强度指随时间检测到的离子计数（counts）。

1. FIGAERO-CIMS_：来自FIGAERO-ToF-CIMS的气溶胶相质谱数据。
示例："FIGAERO-CIMS_MassSpec_Thiophene SOA_aerosol phase.txt"代表噻吩二次有机气溶胶（Secondary Organic Aerosol, SOA）样品的气溶胶相质谱数据（第一列：m/z；第二列：离子强度）。
2. MassSpec_：经背景扣除的前驱体离子电喷雾电离负离子模式（ESI(-)）质谱数据。
示例……