Madzunkova Sigrid, Nikolić Dragan
La Cañada High School, 4463 Oak Grove Dr, La Cañada Flintridge, CA 91011, USA.
California Institute of Technology, Jet Propulsion Laboratory, 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
Life (Basel). 2022 Dec 15;12(12):2122. doi: 10.3390/life12122122.
We present a systematic analysis of a large number of mass spectra accumulated as the number of ion fragments recorded in unit mass-to-charge detector channels. The method retrieves the abundances of detected species using an efficient deconvolution algorithm, which relies on fragment pattern recognition, mass calibration, and background correction. The abundance analysis identifies target species, amino acids, and mycotoxins through their characteristic fragmentation patterns in the presence of an increasing number of interfering species. The method offered robust and efficient retrieval of abundances of metabolic molecules in complex mixtures obscured by a wide range of toxic compounds.
我们对大量质谱进行了系统分析,这些质谱是随着在单位质荷比探测器通道中记录的离子碎片数量而积累的。该方法使用一种高效的反卷积算法来检索检测到的物种的丰度,该算法依赖于碎片模式识别、质量校准和背景校正。丰度分析通过目标物种、氨基酸和霉菌毒素在越来越多干扰物种存在下的特征性碎片模式来识别它们。该方法能够在被多种有毒化合物掩盖的复杂混合物中稳健而高效地检索代谢分子的丰度。