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MetabolomicsA combined direct infusion/reversed phase chromatography – high resolution mass spectrometry workflow for accurate absolute lipid quantification with 13C- internal standards
We propose a fully automated novel workflow for lipidomics based on flow injection, followed by liquid chromatography-high-resolution mass spectrometry (FI/LC-HRMS). The workflow combined in-depth characterization of the lipidome achieved via reversed-phase LC-HRMS with absolute quantification by us...
2021-07-01 | MTBLS1876 | 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
MetabolomicsAdvancing Reef Monitoring Techniques through Exometabolomics: Quantification of Labile Dissolved Organic Metabolites on Coral Reefs

Extracellular chemical cues constitute much of the language of life among marine organisms from microbes to mammals. These chemical cues shape foraging and feeding strategies, symbiotic interactions, selection of mates and habitats, and the transfer of energy and nutrient...

2025-07-16 | MTBLS9008 | 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
OtherMS1-Based Label-Free Proteomics Using a Quadrupole Orbitrap Mass Spectrometer.
Data from ProteomeXchange, PXD ID: PXD001385. File: QEP1_SpikeIn_230914_3_3ng_270914.mzml. Published as part of J Proteome Res. 2015 Mar 24 . From the Abstract: {{i}} Presented is a data set for benchmarking MS1-based label-free quantitative proteomics using a quadrupole orbitrap mass spectrometer....
ORGANISM(S): Homo_sapiens_viruses, Human_female, Escherichia_coli_k_12_substr__mg1655 
GPM32320014338 | GPMDB
Resource Reanalysis 
ProteomicsComparative Evaluation of MaxQuant and Proteome Discoverer MS1-based Protein Quantification Tools
MS1-based label-free quantification can compare precursor ion peaks across runs, allowing reproducible protein measurements. Among bioinformatic platforms enabling MS1-based quantification, MaxQuant (MQ) is one of the most used, while Proteome Discoverer (PD) has recently introduced the Minora tool....
ORGANISM(S): Homo sapiens (Human) Saccharomyces cerevisiae (Baker's yeast) 
2021-05-31 | PXD022169 | Pride
Dynamic range Proteomics Mass spectrometry Specificity Sensitivity Accuracy Precision Label-free quantification Differential analysis 
UnknownComparative Evaluation of MaxQuant and Proteome Discoverer MS1-Based Protein Quantification Tools.
Not available
S-EPMC8280745 | biostudies-literature
ProteomicsAn ultra-high-resolution IonStar strategy enhancing accuracy and precision of MS1-based proteomics and an extensive comparison with state-of-the-art SWATH-MS in large-cohort quantification
Quantitative proteomics in large cohorts is highly valuable for biomedical/pharmaceutical investigations but often suffers from suboptimal reliability, accuracy, and reproducibility. Here we describe a new ultra-high-resolution (UHR) IonStar method achieving precise/reproducible protein measurement ...
ORGANISM(S): Homo sapiens (Human) Escherichia coli Saccharomyces cerevisiae (Baker's yeast) 
2021-06-24 | PXD017915 | Pride
Ultrahigh resolution ionstar 240k quantification 
ProteomicsMaximally-multiplexed proteome quantification platform for isotopic metabolic and chemical labeling
Quantitative proteomic platforms based on precursor intensity in mass spectrometry (MS1-level) uniquely support in vivo metabolic labeling with superior quantification accuracy but suffers from limited multiplexity (≤3-plex) and frequent missing quantities. Herein, we present a maximally-multiplexed...
ORGANISM(S): Homo sapiens (Human) 
2020-03-19 | PXD009952 | Pride
Diethylation Heat shock Silac-6plex Protein quantification Hela cell Quantification Silac De-6plex Heat shock response 
UnknownTrimethylacetic Anhydride-Based Derivatization Facilitates Quantification of Histone Marks at the MS1 Level.
Not available
S-EPMC8283018 | biostudies-literature
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