Calibration-Curve-Locking Database for Semi-Quantitative Metabolomics by Gas Chromatography/Mass Spectrometry.

Autor: Hata K; Division of Metabolomics, Research Center for Transomics Medicine, Medical Institute of Bioregulation, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582, Japan., Soma Y; Division of Metabolomics, Research Center for Transomics Medicine, Medical Institute of Bioregulation, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582, Japan., Yamashita T; Division of Metabolomics, Research Center for Transomics Medicine, Medical Institute of Bioregulation, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582, Japan., Takahashi M; Division of Metabolomics, Research Center for Transomics Medicine, Medical Institute of Bioregulation, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582, Japan., Sugitate K; Agilent Technologies Japan Ltd., 9-1 Takakuramachi, Hachioji-shi, Tokyo 192-8510, Japan., Serino T; Agilent Technologies Japan Ltd., 9-1 Takakuramachi, Hachioji-shi, Tokyo 192-8510, Japan., Miyagawa H; GL Sciences Inc., 6-22-1 Nishi-Shinjuku, Shinjuku-ku, Tokyo 192-8510, Japan., Suzuki K; GL Sciences Inc., 6-22-1 Nishi-Shinjuku, Shinjuku-ku, Tokyo 192-8510, Japan., Yamada K; AMR Inc., 2-13-18 Nakane, Meguro-ku, Tokyo 192-8510, Japan., Kawamukai T; AMR Inc., 2-13-18 Nakane, Meguro-ku, Tokyo 192-8510, Japan., Shiota T; AMR Inc., 2-13-18 Nakane, Meguro-ku, Tokyo 192-8510, Japan., Izumi Y; Division of Metabolomics, Research Center for Transomics Medicine, Medical Institute of Bioregulation, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582, Japan., Bamba T; Division of Metabolomics, Research Center for Transomics Medicine, Medical Institute of Bioregulation, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582, Japan.
Jazyk: angličtina
Zdroj: Metabolites [Metabolites] 2021 Mar 30; Vol. 11 (4). Date of Electronic Publication: 2021 Mar 30.
DOI: 10.3390/metabo11040207
Abstrakt: Calibration-Curve-Locking Databases (CCLDs) have been constructed for automatic compound search and semi-quantitative screening by gas chromatography/mass spectrometry (GC/MS) in several fields. CCLD felicitates the semi-quantification of target compounds without calibration curve preparation because it contains the retention time (RT), calibration curves, and electron ionization (EI) mass spectra, which are obtained under stable apparatus conditions. Despite its usefulness, there is no CCLD for metabolomics. Herein, we developed a novel CCLD and semi-quantification framework for GC/MS-based metabolomics. All analytes were subjected to GC/MS after derivatization under stable apparatus conditions using (1) target tuning, (2) RT locking technique, and (3) automatic derivatization and injection by a robotic platform. The RTs and EI mass spectra were obtained from an existing authorized database. A quantifier ion and one or two qualifier ions were selected for each target metabolite. The calibration curves were obtained as plots of the peak area ratio of the target compounds to an internal standard versus the target compound concentration. These data were registered in a database as a novel CCLD. We examined the applicability of CCLD for analyzing human plasma, resulting in time-saving and labor-saving semi-qualitative screening without the need for standard substances.
Databáze: MEDLINE
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