eMSTAT Solution

Statistical Analysis Software for Direct Ionization Mass Spectrometry

Enables Easy Statistical Analysis of MALDI/DPiMS™ Measurement Data by Anyone

eMSTAT Solution™

Easy Mass Spectrometric Statistical Solution for Matrix Assisted Laser Desorption Time of Flight Mass Spectrometry (MALDI-TOF MS) and Direct Probe Ionization Mass Spectrometry (DPiMS)

Features

  • Statistical Analysis Mode
    Users can easily differentiate samples and identify marker peaks using univariate and multivariate analysis tools.

  • Discriminant Analysis Mode
    Implement discoveries from Statistical Analysis Mode to discriminate unknown samples.

  • Flexible Dynamic Grouping Function
    Flexible sample grouping based on registered quality information facilitates biomarker discovery.

  • Supports a Variety of Data Formats from MALDI-TOF and DPiMS Analyses
    JCAMP, ASCII and mzML data input are all supported.

 

Workflow Using eMSTAT Solution

Identifying Degraded Synthetic Polymers

Polystyrene (heated and unheated) polymers were separated into two groups (heated or unheated) by multivariate analysis (PLS-DA) of the MALDI mass spectrum (Score Plot). A Loading Plot can be used to confirm which peaks (marker peaks) affect the differences between the two groups.

Using marker peaks identified by multivariate analysis to create a discriminant model and discriminate (SVM) between heated and unheated polymers in a polystyrene mass spectrum, obtained separately, resulted in correct discrimination of all polymers. By using eMSTAT Solution in combination with MALDI mass spectrometry, which can easily measure samples with large molecular weight, in addition to synthetic polymers, a wide variety of samples, such as protein, fat, or sugar samples, can be easily differentiated.

Experimental Conditions
Instrument: MALDI-8020
Sample: Polystyrene 1,000
(heated for 2 hours at 200°C or unheated)
Matrix: Dithranol
Cationizing Agent: AgTFA
Sample Preparation: The polystyrene (heated and unheated) dissolved in THF, matrix solution, and cationizing agent were spotted onto a sample plate.

Easy Differentiation for Beef Classification

Extracts from commercial beef (Tasmanian and A5/A4 grade Wagyu beef) were analyzed in a DPiMS-2020 mass spectrometer. The resulting spectra were then analyzed by PLS discriminant analysis. A Score Plot confirms grouping into three groups and a Loading Plot confirms which metabolite peaks affect grouping.

With eMSTAT Solution, spectra obtained by convenient metabolite analysis in a DPiMS-2020 spectrometer can be used to easily differentiate between differences in food, plant, and other samples, and screen for information about metabolites that contribute to differentiation.

Experimental Conditions
Instrument: DPiMS-2020
Sample: Edible beef
Ionization Solution: 50% aqueous ethanol solution
Sample Preparation: 10 μL of the suspension from homogenizing the beef for human consumption in the 50% aqueous ethanol solution was dripped onto a sample plate.

Specifications



 
Item Description
Analysis functions Univariate analysis t-test
Mann-Whitney U test
ANOVA (analysis of variance)
Multivariate analysis PCA (Principal Component Analysis)
PLS-DA
Discriminant analysis Support Vector Machine(SVM)
Random Forest
Other Dynamic grouping
Display functions Multivariate analysis Peak Matrix
Box Plot
ROC
AUC
Score/Loading Plot
Dendrogram
Discriminant analysis Discriminant analysis results (group and score)
Unknown samples superimposed on Score Plot
Input-output data Input ASCII format peak lists
JCAMP format peak lists
mzML format peak lists (only supports Centroid mode, 1 scan/per file, data uncompressed)
Note: File name must only contain half-width alphanumeric characters.
Output Peak lists (txt format)
Analysis results (xlsm format)
Graph screenshot
Operating system OS Windows® 10 Pro, 64-bit  (English/Chinese)

Related Product

For Research Use Only. Not for use in diagnostic procedures.

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