title: Multi-stage mass spectrometric information obtained by deconvolution of energy-resolved spectra acquired by triple-quadrupole mass spectrometry.
abstract: Triple-quadrupole mass spectrometry (TQ-MS) provides the capability to carry out collision-induced dissociation (CID) and it offers advantages in quantification when connected with high-performance liquid chromatography through an electrospray ionization interface. However, although TQ-MS provides information on partial structures through the analysis of product ions obtained by CID experiments, the method only provides single-stage CID experiments, which limits the detailed structural information that can be obtained. Herein, a method of overcoming this limitation of TQ-MS is described. A spectrum obtained by energy-resolved mass spectrometry (ERMS) was used to deconvolute the fragmentation process, with a Galili-antigenic trisaccharide derivative being used as an example. A replot of the ERMS data showing the ratios of the product ions to the precursor ion resulted in a descriptive graph. Analysis of the sum of the ratios of individual product ions to the precursor ion at specific CID energies revealed that the members of a series of product ions were related to each other. The obtained relationships and the m/z values of the product ions provided information on the fragmentation process taking place during the dissociation, indicating that the ERMS spectrum obtained by TQ-MS contained equivalent information to that obtainable by multi-stage MS/MS (MS(n); n≥2). This method may allow users of triple-quadrupole mass spectrometers to obtain MS(n)-type information by performing a single ERMS experiment, which is even advantageous over quadrupole ion trap (QIT)-MS/MS because CID experiments on individual first-generation product ions are not required.
authors: Japan Science and Technology Agency (JST), ERATO, 2-1 Hirosawa, Wako-shi, Saitama 351-0198, Japan. kanie@riken.jp
authors: Osamu
authors: O
authors: Kanie
authors: Yoshimi
authors: Y
authors: Kanie
authors: Shusaku
authors: S
authors: Daikoku
authors: Yuki
authors: Y
authors: Shioiri
authors: Ayako
authors: A
authors: Kurimoto
authors: Sachiko
authors: S
authors: Mutsuga
authors: Satoshi
authors: S
authors: Goto
authors: Yukishige
authors: Y
authors: Ito
authors: Katsuhiko
authors: K
authors: Suzuki