In this work, a method combining ultra-high performance liquid chromatography and hybrid quadrupole-Orbitrap high-resolution mass spectrometry (HR-MS) was developed and validated for use in the simultaneous screening, identification, and quantification of 21 synthetic dyes in herbal medicines. To optimize the chromatographic conditions, we used a combined Full mass scan and data-dependent MS/MS (Full MS/dd-MS2) approach in positive and negative ion mode. Under this mode, selected ions with given fragmentation energy were subjected to a dd-MS2 scan following a Full MS scan. The selectivity of this method was effectively improved using 70,000 full width at half maximum mass resolution and narrow mass window (typically 5 ppm), and a single injection was sufficient for simultaneous identification and quantification of 21 synthetic dyes within 10 min. The combined method was fully validated and complies with all criteria for selectivity, sensitivity, calibration curve linearity, accuracy, precision, recovery, matrix effect, and stability. All analytes showed excellent linear relationships as all the coefficients of determination (r2) are greater than 0.9978 over wide ranges of concentrations (e.g. 1.0–500 ng/mL for sunset yellow). The validated method was employed to detect synthetic dyes in herbal medicines and was demonstrated to provide a reliable technical basis for drug regulation and public health protection.

中文翻译：

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四极杆-Orbitrap高分辨质谱在草药中合成染料快速筛选和鉴定中的应用

在这项工作中，开发并验证了一种结合超高效液相色谱和混合四极杆轨道阱高分辨率质谱 (HR-MS) 的方法，可用于同时筛选、鉴定和定量草药中的 21 种合成染料. 为了优化色谱条件，我们在正离子和负离子模式下使用了全质量扫描和数据相关 MS/MS（全 MS/dd-MS2）相结合的方法。在此模式下，具有给定碎裂能量的选定离子在全 MS 扫描后进行 dd-MS2 扫描。该方法的选择性使用 70,000 全宽半最大质量分辨率和窄质量窗口（通常为 5 ppm）有效提高，单次进样足以在 10 分钟内同时鉴定和定量 21 种合成染料。组合方法经过充分验证，符合选择性、灵敏度、校准曲线线性、准确度、精密度、回收率、基质效应和稳定性的所有标准。所有分析物都显示出极好的线性关系，因为所有测定系数 (r2) 在很宽的浓度范围内都大于 0.9978（例如，日落黄为 1.0–500 ng/mL）。经验证的方法用于检测草药中的合成染料，并被证明为药品监管和公共卫生保护提供了可靠的技术依据。所有分析物都显示出极好的线性关系，因为所有测定系数 (r2) 在很宽的浓度范围内都大于 0.9978（例如，日落黄为 1.0–500 ng/mL）。经验证的方法用于检测草药中的合成染料，并被证明为药品监管和公共卫生保护提供了可靠的技术依据。所有分析物都显示出极好的线性关系，因为所有测定系数 (r2) 在很宽的浓度范围内都大于 0.9978（例如，日落黄为 1.0–500 ng/mL）。经验证的方法用于检测草药中的合成染料，并被证明为药品监管和公共卫生保护提供了可靠的技术依据。