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MetabolomicsA Comprehensive and Ultrasensitive Isotope Calibration Method for Soil Amino Compounds Using Orbitrap Mass Spectrometry
Bound amino compounds (amino acid and amino sugar polymers) comprise a significant proportion (~40%) of soil organic nitrogen and therefore represent an essential source of nitrogen for plant and microbial nutrition. The analysis of their content and isotope enrichment still represents a significant...
2025-06-16 | MTBLS12550 | MetaboLights
ProteomicsPROCAL: A set of 40 peptide standards for retention time indexing, column performance monitoring and collision energy calibration
We describe PROCAL (ProteomeTools Standard), a set of 40 synthetic peptides that span the entire hydrophobicity range of tryptic digests, enabling not only accurate determination of retention time indices but also monitoring of chromatographic separation performance over time. The fragmentation char...
ORGANISM(S): artificial sequences 
2017-09-07 | PXD006832 | Pride
Retention time kit Peptide standard Retention time calibration Proteometools Synthetic peptide 
ProteomicsRetention time calibration for RP-HPLC at pH 9
The change in pH of the mobile phase drastically changes the retention mechanism of peptides, rendering currently available retention time prediction models useless. The aim of this study is to create a dataset of peptide retention times under basic (pH 9) HPLC conditions, allowing for the creation ...
ORGANISM(S): Homo sapiens (Human) 
2026-02-13 | PXD064311 | Pride
Hela Basic ph Rp-hplc 
MetabolomicsTime-dependent stability of plasma and liver interstitial fluid metabolites during sample handling in mice

This study assesses the stability of metabolite levels in plasma and liver interstitial fluid (IF) from mice subjected to different handling times prior to extraction. Blood and tissues from female C57BL/6J mice were collected and either processed immediately or held on ice for 5, 10, or 30 minut...

2025-12-30 | MTBLS13164 | MetaboLights
MetabolomicsElucidations on the structures of some putative flavonoids identified in postharvest withered grapes (Vitis vinifera L.) by quadrupole time-of-flight mass spectrometry
Grape dehydration is an oenological process used for production of high-quality reinforced and sweet wines. High-resolution mass spectrometry (ultrahigh-performance liquid chromatography/quadrupole time-of-flight [UHPLC/QTOF]) was used to deepen the characterization of some flavonoids previously pro...
2021-12-09 | MTBLS1804 | MetaboLights
MetabolomicsDifferent Metabolic Pathways Associated With Total Cortisol Exposure and the Cortisol Time Profile: A Randomized Crossover Trial

Excess cortisol exposure and disruption of the circadian cortisol profile are both associated with adverse clinical outcomes. The aim of this study was to identify unique metabolites and metabolic pathways associated with total cortisol exposure and/or variation of the cortisol time profile. Eigh...

2026-01-16 | MTBLS13147 | MetaboLights
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
MetabolomicsDevelopment and validation of a liquid chromatography-electrospray ionization-time-of-flight mass spectrometry method for induced changes in Nicotiana attenuata leaves during simulated herbivory
Metabolite profiling of herbivory-induced changes in Nicotiana attenuata was used to construct a correlation-weighted network to visualize intra- and inter-compound spectra relationships from individual mass features, and to annotate 12 major network hubs, including 4 O-acyl sugars and 6 17-hydroxyg...
2012-08-14 | MTBLS10 | MetaboLights
MetabolomicsAmino Acid Metabolism is Significantly Altered at the Time of Admission in Hospital for Severe COVID-19 Patients: Findings from Longitudinal Targeted Metabolomics Analysis

The heterogeneity in severity and outcome of COVID-19 cases points out the urgent need for early molecular characterization of patients followed by risk-stratified care. The main objective of this study was to evaluate the fluctuations of serum metabolomic profiles of COVID-19 patients with sever...

2022-08-23 | MTBLS3852 | MetaboLights
ProteomicsAssessing the relationship between mass window width and retention time scheduling on protein coverage for data-independent acquisition
Due to the technical advances of mass spectrometers especially the high scanning speed and high MS/MS resolution, the data independent acquisition mass spectrometry (DIA-MS) began to be widely used, which enables high reproducibility in both proteomic identification and quantification. The current D...
ORGANISM(S): Homo sapiens (Human) 
2019-07-01 | PXD013477 | Pride
Scheduling Rtwindia Window size Oribtrap fusion lumos Dia-ms 
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