Ma, Pan published the artcileMARS 2: A computational tool to resolve and extract features from large-scale GC-MS datasets, Related Products of esters-buliding-blocks, the main research area is MARS computational tool resolve extract GC MS dataset.
MARS (MS-Assisted Resolution of Signal) is a computational tool for feature extraction using multivariate curve resolution approaches. However, it is time-consuming for large-scale GC-MS datasets and sensitive to the component number estimation Here we introduce MARS 2 with substantial improvements to overcome these limitations. Reverse matching (RM) and principal component optimization-iterative transformation target factor anal. (PCO-ITTFA) are developed to reduce the time for locating peak regions and determine the correct component number for resolving optimal features. The greatest strength of MARS 2 is “”resolve once, extract anywhere””. It means that mass spectra of each component were needed to resolve from only one profile. Then, chromatog. features can be extracted automatically from hundreds of other profiles with the assistance from the resolved mass spectra. To evaluate its performance, plasma datasets and fatty acid standard mixtures were processed by MARS 2, AMDIS, ADAP-GC 3.0, eRah and MS-DIAL. Amino acid standard mixtures were analyzed by MARS 2 for calibration. Results show that MARS 2 can achieve better performance in both qual. and quant. anal.
Chemometrics and Intelligent Laboratory Systems published new progress about Extraction. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Related Products of esters-buliding-blocks.
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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics