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Guidelines to consider when selecting standards for the metabolomics workflow, helpful off-the-shelf library tools and how to easily create MS libraries using authentic standards and the software tool MLSDiscovery.  

Validated Compound Identification

Benefits of 95% and 5% 13C labeling:

Eliminates false data - 95% and 5% 13C gives rise to a distinctive isotopic pattern easily differentiated from natural abundance non-biological artefacts and noise

Mathematically calculable to enable computational analysis

Removes variances - labeled and unlabeled species are subject to the same biases, thus increasing comparability of different measurements

Enables identification –  the number of carbons for each metabolite can be determined; carbon number and mass together greatly restricts the number of possible molecular formulae 

Facilitates detections of low intensity features - at natural abundance more that one isotopic peak is often not detectable or can be excluded as noise



Isotopic Ratio Outlier Analysis (IROA):  accurate metabolic profiling

IROA TruQuant IQQ  is a high-quality quantitation system that utilizes two (2) complex Internal Standards to make accurate biological measurements on several hundred biochemicals simultaneously in small quantities of biological samples and measure day-to-day (QA/QC) platform reproducibility.

TruQuant IQQ metabolomics measurement system removes ion suppression and normalizes data

A convenient and comprehensive tool for creating metabolomics libraries, MSMLS™ helps you identify compounds in biological samples, optimize mass spectrometry analytical protocols, as well as qualify and quantify mass spectrometry sensitivity and limit of detection.

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