ArticleJournal of chemical information and modeling2022
Prediction of Retention Time and Collision Cross Section (CCS
Article in Journal of chemical information and modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 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
10 citing papers in PubMed.
- Do experimental projection methods outcompete retention time prediction models in non-target screening? A case study on LC/HRMS interlaboratory comparison data.The Analyst · 2025Article
- PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data.Environmental science & technology letters · 2025Article
- Approaches for GC-HRMS Screening of Organic Microcontaminants: GC-APCI-IMS-QTOF versus GC-EI-QOrbitrap.Environmental science & technology · 2025Article
- Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening.Analytical and bioanalytical chemistry · 2025Review
- Exposure of Polycyclic Aromatic Hydrocarbons (PAHs) and Crude Oil to Atlantic Haddock (Environmental science & technology · 2024Article
- Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry.Analytical chemistry · 2024Review
- Application of Ion Mobility Spectrometry and the Derived Collision Cross Section in the Analysis of Environmental Organic Micropollutants.Environmental science & technology · 2023Review
- Collision cross section measurement and prediction methods in omics.Journal of mass spectrometry : JMS · 2023Review
- Article
- Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning.Molecules (Basel, Switzerland) · 2022Article
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.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Ultra-high performance liquid chromatography coupled to ion mobility separation and high-resolution mass spectrometry instruments have proven very valuable for screening of emerging contaminants in the aquatic environment. However, when applying suspect or nontarget approaches (
Indexed as
Identifiers
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.