The №1 Thermo Scientific Compound Discoverer Node — Elucidata
From peaks to absolute concentrations within minutes for 100s of metabolites
By Vipul Jain
About Polly™ QuantFit
Polly™ QuantFit is a calibration tool used for the absolute quantification of metabolites. For the calculation of absolute concentration, the experiment is done with some standard samples of known concentrations.
1. Intensities are detected in El-MAVEN across all metabolites for all samples
2. This workflow can further be customized as per experimental designs to perform normalization
3. Get mathematical mappings from intensities to concentrations for the standard samples, which are used to calculate concentrations of experimental intensities in Polly™ QuantFit
4. Generate customized visualizations with Ipythons or a concentration plot used for downstream processing
Polly™ QuantFit Features
About Thermo Scientific™ Compound Discoverer™
Thermo Scientific™ Compound Discoverer™ software streamlines compound identification determines real differences between samples and elucidates biological pathways with integrated, powerful software workflows to drive rapid insights from your valuable data.
Integration
To guide you through the integration workflow, detailed documentation has been prepared and can be accessed here.
The node created in Thermo Scientific™ Compound Discoverer™ has 3 integrations:
1. MSConvert: It converts .raw data obtained from a mass spectrometer to El-MAVEN accepted formats like .mzML or .mzXML
2. El-MAVEN: For high-quality peak integration in a click using a machine learning model. For better peak integration some parameters have been defined in CD.
3. Polly™ QuantFit: For absolute quantification of the data. This application is hosted on the cloud on Polly™ for processing your data
Applications
1. Poster: Determining Pharmacokinetics of Cysteamine with Polly™ QuantFit in collaboration with Shawn Davidson at Princeton University presented at ASMS 2019
2. Poster: Rapid automated absolute quantification of metabolites using Polly™ QuantFit to understand tumor nutrient availability in collaboration with Matt Vander Heiden Lab at MIT presented at ASMS 2019
3. Quant-inar: A webinar on the Polly™ QuantFit Workflow to go from peaks to absolute concentrations within minutes for 100s
Free Demo
You can now try this integration for free. We offer a free demo on our platform. Drop a message to pollydemos@elucidata.io today with your requirements and use case. Alternatively, you can directly book a suitable time here and talk to us.
Originally published at https://elucidata.io.
