ArticleAnalytical chemistry2010
Does the mass spectrometer define the marker? A comparison of global metabolite profiling data generated simultaneously via UPLC-MS on two different mass spectrometers.
Article in Analytical chemistry, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
18 citing papers in PubMed, 60 citations in OpenAlex.
- What's in a name? Metabolite identification: challenges and pitfalls in untargeted metabolomics.Metabolomics : Official journal of the Metabolomic Society · 2026Review
- Reframing pancreatic cancer diagnosis: metabolic signatures and the challenge of rule-out testing.Translational gastroenterology and hepatology · 2026Article
- Ion Pair Chromatography for Endogenous Metabolite LC-MS Analysis in Tissue Samples Following HGH Resolution Untargeted Acquisition.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Quality Control and Validation Issues in LC-MS-Based Metabolomics.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Selectivity of Explosives Analysis with Ambient Ionization Single Quadrupole Mass Spectrometry: Implications for Trace Detection.Journal of the American Society for Mass Spectrometry · 2024Article
- Ensuring Fact-Based Metabolite Identification in Liquid Chromatography-Mass Spectrometry-Based Metabolomics.Analytical chemistry · 2023Review
- Alignment and Analysis of a Disparately Acquired Multibatch Metabolomics Study of Maternal Pregnancy Samples.Journal of proteome research · 2022Article
- Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC).Metabolomics : Official journal of the Metabolomic Society · 2022Review
- Untargeted Analysis ofMetabolites · 2021Article
- Helically shaped cation receptor: design, synthesis, characterisation and first application to ion transport.RSC advances · 2020Article
- Can we trust biomarkers identified using different non-targeted metabolomics platforms? Multi-platform, inter-laboratory comparative metabolomics profiling of lettuce cultivars via UPLC-QTOF-MS.Metabolomics : Official journal of the Metabolomic Society · 2020Article
- Metabolomics Benefits from Orbitrap GC-MS-Comparison of Low- and High-Resolution GC-MS.Metabolites · 2020Article
- A Comparative Evaluation of Tools to Predict Metabolite Profiles From Microbiome Sequencing Data.Frontiers in microbiology · 2020Article
- Visualization, Quantification, and Alignment of Spectral Drift in Population Scale Untargeted Metabolomics Data.Analytical chemistry · 2017Article
- Lipid characterization of individual porcine oocytes by dual mode DESI-MS and data fusion.Analytica chimica acta · 2014Article
- Investigation of chronic alcohol consumption in rodents via ultra-high-performance liquid chromatography-mass spectrometry based metabolite profiling.Journal of chromatography. A · 2012Article
- Metabolite profiling identified methylerythritol cyclodiphosphate efflux as a limiting step in microbial isoprenoid production.PloS one · 2012Article
- Can we trust untargeted metabolomics? Results of the metabo-ring initiative, a large-scale, multi-instrument inter-laboratory study.Metabolomics : Official journal of the Metabolomic SocietyArticle
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors at 1 institution in 1 country.
Funding
Abstract
By coupling a single UPLC separation to two different types of mass spectrometer an unbiased comparison of the metabolite profiles produced by each instrument for a set of rat urine samples was obtained. The flow from the UPLC column was split equally and both streams of eluent were simultaneously directed to the inlets of the two mass spectrometers. Mass spectrometry on the eluent was undertaken using a triple quadrupole linear ion trap and a hybrid quadrupole time-of-flight mass spectrometer using both positive and negative ESI. Data from both mass spectrometers were subjected to multivariate statistical analysis, after applying the same data extraction software, and showed the same general pattern of correlation between the samples using both unsupervised and supervised methods of statistical analysis. Based on orthogonal partial least-squares discriminant analysis models a number of ions were recognized as "responsible" for the separation of the animal groups. From the peaks detected, and denoted as significant by the statistical analysis a number of ions were found to be unique to one data set or the other, a result which may have consequences for biomarker discovery and interlaboratory comparisons. The software package used for data analysis also had an effect on the outcome of the statistical analysis.
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.