Metabolomics data covering amino acids and acylcarnitines profile of 22 relapsing-remitting multiple sclerosis subjects and 22 healthy controls

Dataset contains information about amino acids (13) and acylcarnitines (30) concentrations measured in plasma of 22 RRMS patients and 22 healthy controls in two series. QC samples L1 and L2 were added to control interassay variation. Raw data were collected with API 6500QTRAP (AB Sciex) coupled with HPLC LC-20AD Prominence (Shimadzu Corporation) and 75*2.1 mm column filled with sorbent prontosil 120-3-c18 aq (Ekonova, Russia). MRM data were processed in MultiQuant^TM 2.1 Software (AB Sciex). MassChrom 55000 (Chromsystems) test-system and protocol was used for sample preparation. Additional column (Calculated concentration) was added in Excel (Peak Area parameter was used for calculation).<br>

本数据集涵盖13种氨基酸与30种酰基肉碱的浓度检测数据，检测样本取自22名复发缓解型多发性硬化（Relapsing-Remitting Multiple Sclerosis, RRMS）患者及22名健康对照者的血浆，实验分为两个批次开展。为控制批间变异，实验中加入了质量控制（Quality Control, QC）样本L1与L2。原始数据通过API 6500QTRAP质谱仪（AB SCIEX公司）采集，该检测系统联用了岛津制作所（Shimadzu Corporation）的LC-20AD Prominence高效液相色谱（High Performance Liquid Chromatography, HPLC）仪，以及规格为75×2.1 mm、填充有俄罗斯Ekonova公司生产的prontosil 120-3-c18 aq型吸附剂的色谱柱。多反应监测（Multiple Reaction Monitoring, MRM）数据通过AB SCIEX公司的MultiQuant™ 2.1软件完成处理。样品前处理采用Chromsystems公司的MassChrom™ 55000检测试剂盒及其配套实验流程。在Excel软件中新增「计算浓度」列，以峰面积（Peak Area）作为计算参数完成浓度计算。