Evidence map›Paper›PMID 31984744›Full record

ArticleJournal of proteome research2020

Skyline for Small Molecules: A Unifying Software Package for Quantitative Metabolomics.

Kendra J Adams, Brian Pratt, Neelanjan Bose, Laura G Dubois, Lisa St John-Williams, Kevin M Perrott, Karina Ky, Pankaj Kapahi, Vagisha Sharma, Michael J MacCoss and 6 more

Abstract read
In one paragraph

Article in Journal of proteome research, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 329 papers.

0numbers the graph read from it
0cells of the map it votes in
329citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

329 citing papers in PubMed.

  1. Trial
  2. A targeted lipidomics workflow for high-throughput phenotyping and mechanism-based in vitro hepatotoxicity studies.Toxicology in vitro : an international journal published in association with BIBRA · 2026
    Article
  3. Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Metabolomic correlates of intravenous racemic ketamine in treatment-resistant major depressive disorder: the Bio-K/NNDC multicenter trial.The world journal of biological psychiatry : the official journal of the World Federation of Societies of Biological Psychiatry · 2026
    Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Sustained loss ofbioRxiv : the preprint server for biology · 2026
    Article
  19. Article
  20. Article

269 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

16 authors.

Kendra J AdamsProteomics and Metabolomics Shared Resource, Duke University, Durham, North Carolina 27701, United States.
Brian PrattDepartment of Genome Sciences, University of Washington, Seattle, Washington 98195, United States.
Neelanjan BoseBuck Institute for Research on Aging, Novato, California 94945, United States.
Laura G DuboisProteomics and Metabolomics Shared Resource, Duke University, Durham, North Carolina 27701, United States.
Lisa St John-WilliamsProteomics and Metabolomics Shared Resource, Duke University, Durham, North Carolina 27701, United States.
Kevin M PerrottBuck Institute for Research on Aging, Novato, California 94945, United States.
Karina KyUniversity of California San Francisco, San Francisco, California 94143, United States.
Pankaj KapahiBuck Institute for Research on Aging, Novato, California 94945, United States.
Vagisha SharmaDepartment of Genome Sciences, University of Washington, Seattle, Washington 98195, United States.
Michael J MacCossDepartment of Genome Sciences, University of Washington, Seattle, Washington 98195, United States.
M Arthur MoseleyProteomics and Metabolomics Shared Resource, Duke University, Durham, North Carolina 27701, United States.
Carol A ColtonDepartment of Neurology, Duke University, Durham, North Carolina 27710, United States.
Brendan X MacLeanDepartment of Genome Sciences, University of Washington, Seattle, Washington 98195, United States.
Birgit SchillingBuck Institute for Research on Aging, Novato, California 94945, United States.
J Will ThompsonProteomics and Metabolomics Shared Resource, Duke University, Durham, North Carolina 27701, United States.ORCID 0000-0001-6567-1268
Alzheimer’s Disease Metabolomics Consortium

Funding

Alzheimer's Disease Neuroimaging Initiative - SupplementU01AG024904 · NIA · NORTHERN CALIFORNIA INSTITUTE RES &EDUC · PI WEINER, MICHAEL W · 2004 to 2015
$121.0M
University of Washington Nathan Shock Center of Excellence in the Basic Biology of AgingP30AG013280 · NIA · UNIVERSITY OF WASHINGTON · PI Michael MacCoss · 1995 to 2026
$27.1M
Equipment Supplement Request for a Research Resource for Ultra-sensitive High Throughput ProteomicsP41GM103493 · NIGMS · BATTELLE PACIFIC NORTHWEST LABORATORIES · PI SMITH, RICHARD D · 2012 to 2022
$22.6M
TrainingP41GM103533 · NIGMS · UNIVERSITY OF WASHINGTON · PI YATES III, JOHN R · 2012 to 2021
$20.7M
Training in Basic Research on Aging and Age-Related DiseaseT32AG000266 · NIA · UNIVERSITY OF CALIF-LAWRENC BERKELEY LAB · PI Lisa M Ellerby · 1998 to 2026
$13.8M
Metabolic Signatures Underlying Vascular Risk Factors for Alzheimer-type DementiasRF1AG051550 · NIA · DUKE UNIVERSITY · PI KADDURAH-DAOUK, RIMA F, KLING, MITCHEL ALLAN · 2015 to 2016
$6.3M
Sex and APOE genotype interact to alter immune regulated metabolism in ADRF1AG057895 · NIA · DUKE UNIVERSITY · PI BADEA, ALEXANDRA, COLTON, CAROL ANNE · 2019 to 2019
$5.8M
Metabolic Networks and Pathways in Alzheimer's DiseaseR01AG046171 · NIA · DUKE UNIVERSITY · PI KADDURAH-DAOUK, RIMA F · 2014 to 2017
$4.4M
Brain networks in mouse models of agingR01AG066184 · NIA · DUKE UNIVERSITY · PI BADEA, ALEXANDRA · 2019 to 2023
$3.8M
Skyline Targeted Proteomics EnvironmentR01GM103551 · NIGMS · UNIVERSITY OF WASHINGTON · PI MACCOSS, MICHAEL · 2012 to 2020
$3.4M
A temporal bioenergetic, metabolomics, and proteomic map of Alzheimer's disease in invertebrate modelsRF1AG057358 · NIA · BUCK INSTITUTE FOR RESEARCH ON AGING · PI ANDERSEN, JULIE KAY, LITHGOW, GORDON J · 2017 to 2017
$3.0M
Sex and APOE genotype interact to alter immune regulated metabolism in ADR56AG057895 · NIA · DUKE UNIVERSITY · PI BADEA, ALEXANDRA, COLTON, CAROL ANNE · 2017 to 2017
$1.1M
NIA NIH HHS K01 AG041211NIA NIH HHS P30 AG013280NIA NIH HHS R01 AG046171NIA NIH HHS R01 AG066184NIA NIH HHS R56 AG057895NIA NIH HHS R56 AG063885NIA NIH HHS RF1 AG051550NIA NIH HHS RF1 AG057358NIA NIH HHS RF1 AG057895NIA NIH HHS T32 AG000266NIA NIH HHS U01 AG024904NIGMS NIH HHS P41 GM103493NIGMS NIH HHS P41 GM103533NIGMS NIH HHS R01 GM103551
6 · The paper itself

Abstract

Vendor-independent software tools for quantification of small molecules and metabolites are lacking, especially for targeted analysis workflows. Skyline is a freely available, open-source software tool for targeted quantitative mass spectrometry method development and data processing with a 10 year history supporting six major instrument vendors. Designed initially for proteomics analysis, we describe the expansion of Skyline to data for small molecule analysis, including selected reaction monitoring, high-resolution mass spectrometry, and calibrated quantification. This fundamental expansion of Skyline from a peptide-sequence-centric tool to a molecule-centric tool makes it agnostic to the source of the molecule while retaining Skyline features critical for workflows in both peptide and more general biomolecular research. The data visualization and interrogation features already available in Skyline, such as peak picking, chromatographic alignment, and transition selection, have been adapted to support small molecule data, including metabolomics. Herein, we explain the conceptual workflow for small molecule analysis using Skyline, demonstrate Skyline performance benchmarked against a comparable instrument vendor software tool, and present additional real-world applications. Further, we include step-by-step instructions on using Skyline for small molecule quantitative method development and data analysis on data acquired with a variety of mass spectrometers from multiple instrument vendors.

Indexed as

MetabolomicsProteomicsAmino Acid SequenceMass SpectrometrySoftwaredata analysisliquid chromatographymetabolitemetabolomicsquantitativeSkylinesmall moleculestandem mass spectrometrytargeted

Identifiers

PMID31984744
PMCPMC7127945

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

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.