Kopysov Vladimir, Makarov Alexander, Boyarkin Oleg V
†Laboratoire de Chimie Physique Moléculaire, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland.
‡Thermo Fisher Scientific, Hanna-Kunath Strasse 11, 28199 Bremen, Germany.
Anal Chem. 2015;87(9):4607-11. doi: 10.1021/acs.analchem.5b00822. Epub 2015 Apr 21.
We present an approach that integrates ultraviolet (UV) photofragmentation spectroscopy of cold ions with high-resolution Orbitrap mass spectrometry (MS) and uses mathematical analysis of the recorded 2D data arrays for structural identification of biomolecules. The synergy of the two orthogonal techniques makes these arrays unique fingerprints of molecular ions, enabling their reliable identifications. Using preliminary created libraries of fingerprints, the UV-MS approach was successfully applied for quantitative identification of exact isobaric molecules in their mixtures, which is one of the challenging cases for mass spectrometry. We also demonstrate how the UV and fragmentation mass spectra of unknown chemical components of a mixture can be recovered from its fingerprint even without a use of library.
我们提出了一种将冷离子的紫外（UV）光碎裂光谱与高分辨率轨道阱质谱（MS）相结合的方法，并利用对记录的二维数据阵列进行数学分析来鉴定生物分子的结构。这两种正交技术的协同作用使这些阵列成为分子离子的独特指纹，从而能够对其进行可靠鉴定。利用初步创建的指纹库，UV-MS方法成功应用于混合物中精确等压分子的定量鉴定，这是质谱分析中具有挑战性的情况之一。我们还展示了如何即使不使用库，也能从混合物的指纹中恢复其未知化学成分的紫外光谱和碎裂质谱。
