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MetabolomicsMAVEN2: An Updated Open-Source Mass Spectrometry Exploration Platform

MAVEN, an open-source software program for analysis of LC-MS metabolomics data, was originally released in 2010. As mass spectrometry has advanced in the intervening years, MAVEN has been periodically updated to reflect this advancement. This manuscript describes a major update to the program, MA...

2024-07-22 | MTBLS3097 | MetaboLights
MetabolomicsMassVision: An open-source end-to-end platform for AI-driven mass spectrometry image analysis

This dataset contains 10 Desorption Electrospray Ionization Mass Spectrometry Imaging (DESI-MSI) slides from cross-sections of surgically resected colorectal tissues with cancer and adjacent normal. The data is released with MassVision software platform for exploration and analysis of MSI data. P...

2025-09-19 | MTBLS12868 | MetaboLights
MetabolomicsSoftware tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values

BACKGROUND: Lipidomics, the comprehensive measurement of lipids within a biological system or substrate, is an emerging field with significant potential for improving clinical diagnosis and our understanding of health and disease. While lipids diverse biological roles contribute ...

2022-05-17 | MTBLS710 | MetaboLights
MetabolomicsDevelopment and validation of the PyMS Mass Spectrometry software
To provide useful data for development and validation of the PyMS Mass Spectrometry software, a test dataset was run at Metabolomics Australia. A biologically complex mix of a biological background material (foetal calf serum), spiked with 2-fold increasing amounts of a mix of metabolite standards. ...
2012-03-29 | MTBLS6 | MetaboLights
MetabolomicsComprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection
Data analysis represents a key challenge for untargeted metabolomics studies and it commonly requires extensive processing of more than thousands of metabolite peaks included in raw high-resolution MS data. Although a number of software packages have been developed to facilitate untargeted data proc...
2019-11-19 | MTBLS733 | MetaboLights
MetabolomicsComprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection (AB SCIEX TripleTOF 6600 assay)

Data analysis represents a key challenge for untargeted metabolomics studies and it commonly requires extensive processing of more than thousands of metabolite peaks included in raw high-resolution MS data. Although a number of software packages have been developed to facilitate untargeted data p...

2019-11-19 | MTBLS736 | MetaboLights
ProteomicsDemo datasets for AutoCCS: Automated collision cross section calculation software for ion mobility spectrometry-mass spectrometry
Agilent Tunemix samples analyzed on three IMS-MS platforms with nitrogen gas: 1) stepped-field drift tube IMS-MS, 2) single-field drift tube IMS-MS, and 3) SLIM-based IMS-MS. Also, tetraalkylammonium (TAA) salt samples analyzed with SLIM-based IMS-MS using helium gas.
ORGANISM(S): Unclassified Sequences (ncbitaxon:12908) 
2020-08-19 | MSV000085979 | MassIVE
ProteomicsNovel interconnections of HOG signaling revealed by combined use of two proteomic software packages
Modern quantitative mass spectrometry (MS)-based proteomics enables researchers to unravel signaling networks by monitoring proteome-wide cellular responses to different stimuli. MS-based analysis of signaling systems usually requires an integration of multiple quantitative MS experiments, which rem...
ORGANISM(S): Saccharomyces Cerevisiae 
PXD013789 | panorama
ProteomicsSite-specific glycoform analysis of human AGP and HL-60 cell lysate by the Glyco-RIDGE method using GRable Version 1.0
High-throughput intact glycopeptide analysis is crucial for elucidating the physiological and pathological status of the glycans attached to each glycoprotein. Mass spectrometry-based glycoproteomic methods are challenging because of the diversity and heterogeneity of glycan structures. Therefore, w...
ORGANISM(S): Homo Sapiens (human) 
2024-08-29 | PXD046226 | JPOST Repository
ProteomicsPFAS non-targeted Leachate - Thermo, IE, DDA, AIF
We introduce FluoroMatch, which automates file conversion, chromatographic peak picking, blank feature filtering, PFAS annotation based on precursor and fragment masses, and annotation ranking. The software library currently contains about 7000 PFAS fragmentation patterns based on rules derived from...
ORGANISM(S): Na 
2023-03-30 | MSV000091594 | MassIVE
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