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

被引：4

作者：

Hata, Kosuke ^{[1
]}

Soma, Yuki ^{[1
]}

Yamashita, Toshiyuki ^{[1
]}

Takahashi, Masatomo ^{[1
]}

Sugitate, Kuniyo ^{[2
]}

Serino, Takeshi ^{[2
]}

Miyagawa, Hiromi ^{[3
]}

Suzuki, Kenichi ^{[3
]}

Yamada, Kayoko ^{[4
]}

Kawamukai, Takatomo ^{[4
]}

Shiota, Teruhisa ^{[4
]}

Izumi, Yoshihiro ^{[1
]}

Bamba, Takeshi ^{[1
]}

机构：

[1] Kyushu Univ, Res Ctr Trans Med, Med Inst Bioregulat, Div Metabol,Higashi Ku, 3-1-1 Maidashi, Fukuoka 8128582, Japan

[2] Agilent Technol Japan Ltd, 9-1 Takakuramachi, Hachioji, Tokyo 1928510, Japan

[3] GL Sci Inc, Shinjuku Ku, 6-22-1 Nishi Shinjuku, Tokyo 1928510, Japan

[4] AMR Inc, Meguro Ku, 2-13-18 Nakane, Tokyo 1928510, Japan

来源：

METABOLITES | 2021年 / 11卷 / 04期

基金：

日本科学技术振兴机构;

关键词：

calibration-curve-locking-database; quantification; metabolomics; GC/MS; Standard Reference Material (SRM) 1950; data integration;

D O I：

10.3390/metabo11040207

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页数：16

共 24 条

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