The identification of unknown metabolites is often defined as a major challenge by researchers performing non-targeted metabolomics. Combining accurate mass MS information and structural resolving power of NMR with software solutions tailored for de-novo identification, Bruker offers unique solutions to address this challenge.
NMR和MS提供互补数据
质谱
代谢®是用于针对非目标LC-MS和MALDI成像数据的综合软件包,旨在最大化更多化合物的检测和注释。应用T-Rex®(时间对齐区域的完整提取)算法自动提取所有相关峰,并将属于同一化合物的离子组合为一个特征,即同位素,电荷状态,加合物或片段。保留时间比对确保数据一致性,即使发生LC-MS之间的色谱变化也是如此。在正电离模式和负电离模式中获得的互补信息组合,可以在样本中对更广泛的化合物类别产生更深入的见解。
捕获的离子迁移率(TIMS)根据其形状分离代谢物,产生更清洁的MS/MS光谱,并允许使用CCS值来增加4D-MetabolomicSTM和4D-脂肪体的注释 - 除了保留时间,前体质量,前体质量,前体质量,前体质量,前体质量,前体质量,前体质量,前体质量。同位素模式和MS/MS光谱。
The mapping of identified metabolites on metabolic pathway maps using MetaboScape®将实验数据连接到生物学。这可以导致一个经过验证的研究问题,或提出新的假设。
Nowadays, measuring complex samples is a routine task in many metabolomics laboratories. An integral part of the metabolomics workflow is the application of statistical methods to quickly pinpoint relevant information and generate knowledge.
AMIX完全集成了光谱和statistical analysis of NMR, HPLC and LC-MS data to better find valid metabolomic results. ProfileAnalysis is the ideal platform for fast and comprehensive multivariate statistical analysis of LC-MS data, and OPUS is the leading software for measurement, processing and evaluation of IR, NIR and Raman spectra.
可以使用光谱性诽谤可以轻松地识别已知的化合物
AMIX包含所有必要的工具来建立自己的NMR光谱库或使用Bruker的商业光谱基础。LibraryEditor使您可以构建自己的MS(MS)Spectra库并查询已经存在的MS(MS)。
仅用于研究。不用于临床诊断程序。