Calibration-Curve-Locking Database for Semi-Quantitative Metabolomics by Gas Chromatography/Mass Spectrometry.
Calibration-Curve-Locking Database for Semi-Quantitative Metabolomics by Gas Chromatography/Mass Spectrometry.
复制标题
DOI：
10.3390/metabo11040207
复制
发表时间：
2021-03-30
期刊：
影响因子：
4.1
通讯作者：
Bamba T
中科院分区：
文献类型：
--
作者：
Hata K;Soma Y;Yamashita T;Takahashi M;Sugitate K;Serino T;Miyagawa H;Suzuki K;Yamada K;Kawamukai T;Shiota T;Izumi Y;Bamba T
建立了校正曲线锁定数据库(CCLD)，用于多个领域的化合物自动搜索和气相色谱/质谱联用(GC/MS)半定量筛选。CCLD适合于目标化合物的半定量，而不需要准备校准曲线，因为它包含了在稳定的仪器条件下获得的保留时间(RT)、校准曲线和电子电离(EI)质谱图。尽管它有用，但代谢组学并没有CCLD。在此，我们开发了一种新的基于GC/MS的代谢组学的CCLD和半定量框架。所有分析物在稳定的仪器条件下衍生化后进行GC/MS分析，使用(1)目标调节，(2)RT锁定技术，(3)机器人平台自动衍生化和进样。RTS和EI质谱图是从现有的授权数据库获得的。为每个目标代谢物选择一个定量离子和一个或两个限定离子。通过目标化合物与内标的峰面积比与目标化合物浓度的关系图，得到了校正曲线。这些数据在数据库中登记为新的CCLD。我们研究了CCLD在分析人血浆中的适用性，从而在不需要标准物质的情况下进行了省时省力的半定性筛选。
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.
登录
查看更多内容
DOI：
10.1016/j.jchromb.2014.08.040
发表时间：
2014-11-01
影响因子：
3
作者：
Quero, Anthony;Jousse, Cyril;Pau-Roblot, Corinne
通讯作者：
Pau-Roblot, Corinne
影响因子：
4.1
作者：
Kadokami, K;Tanada, K;Nakagawa, K
通讯作者：
Nakagawa, K
影响因子：
7.4
作者：
Buescher, Joerg Martin;Czernik, Dominika;Zamboni, Nicola
通讯作者：
Zamboni, Nicola
影响因子：
4.1
作者：
Gu, Qun;David, Frank;Sandra, Pat
通讯作者：
Sandra, Pat
影响因子：
7.4
作者：
Kind, Tobias;Wohlgemuth, Gert;Lee, Do Yup;Lu, Yun;Palazoglu, Mine;Shahbaz, Sevini;Fiehn, Oliver
通讯作者：
Fiehn, Oliver