Evidence map›Paper›PMID 40702409›Full record

ArticleJournal of the American Society for Mass Spectrometry2025

Rapid Annotation Strategy for

David C Koomen, Katrina L Leaptrot, Jody C May, Bailey S Rose, Kyle E Lira, Julia A Raziel, Andrew D Pumford, Gustavo de A Cavalcanti, Monica C Padilha, Henrique M G Pereira and 1 more

Abstract read
In one paragraph

Article in Journal of the American Society for Mass Spectrometry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Review
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

11 authors.

David C KoomenDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0003-2883-9417
Katrina L LeaptrotDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0002-9266-145X
Jody C MayDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0003-4871-5024
Bailey S RoseDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0002-5900-7288
Kyle E LiraDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0001-6684-9339
Julia A RazielDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.
Andrew D PumfordDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.
Gustavo de A CavalcantiBrazilian Doping Control Laboratory (LBCD), Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, RJ 21941, Brazil.ORCID 0000-0001-8601-4910
Monica C PadilhaBrazilian Doping Control Laboratory (LBCD), Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, RJ 21941, Brazil.
Henrique M G PereiraBrazilian Doping Control Laboratory (LBCD), Federal University of Rio de Janeiro (UFRJ), Rio de Janeiro, RJ 21941, Brazil.
John A McLeanDepartment of Chemistry, Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37235, United States.ORCID 0000-0001-8918-6419

Funding

Ion mobility based informatics and visualization strategies in support of metabolomicsR03CA222452 · NCI · VANDERBILT UNIVERSITY · PI MCLEAN, JOHN ALAN · 2017 to 2017
$152k
NCI NIH HHS R03 CA222452
6 · The paper itself

Abstract

Doping control laboratories are responsible for the precise measurement of anabolic-androgenic steroids (AASs) and determination of athlete usage. Intact phase II AASs are difficult to analyze due to their low abundance in complex biological matrices and their structural similarities that convolute tandem mass spectrometry interpretation. Discovery efforts of unknown phase II metabolites of new-to-the-field steroids have been challenging due to these deficiencies in current analytical techniques. Several methods for determining unknown conjugated AAS compounds have been developed that include deuterium tagging, fractionation, derivatization, and utilization of synthesized standards. Ion mobility (IM), a rapid gas-phase separation, allows for improved molecular differentiation and provides additional information for analyzing intact phase II AASs without sacrificing throughput. Here, candidate metabolites were putatively identified for oxymetholone (OXM) and methyl-1-testosterone (M1T) utilizing liquid chromatography-ion mobility-mass spectrometry (LC-IM-MS) and two independent data analysis strategies: a fully untargeted approach using mass defect analysis and collision cross section (CCS) filtering and a pseudotargeted approach using the biologically anticipated isotopic envelope in conjunction with CCS filtering, temporal profiling, and tandem mass spectrometry confirmation. A proof-of-concept time-course study was conducted using the urine from healthy male individuals after steroid administration. The fully untargeted approach reduced the number of original features by >85% while the pseudotargeted approach reduced original features by >99%, yielding 11 possible novel phase II AAS candidates for OXM and 23 for M1T.

Indexed as

Anabolic Androgenic SteroidsData CurationMetabolic Detoxication, Phase IIMethyltestosteroneOxymetholoneDoping in SportsHumansIon Mobility SpectrometryLiquid Chromatography-Mass SpectrometryMaleProof of Concept StudyAnabolic Androgenic SteroidsMethyltestosteroneOxymetholoneCCS regression modelLC-IM-MSmass−mobility correlationnontargeted discovery workflowphase II AASuntargeted metabolomics

Identifiers

PMID40702409
PMCPMC12333374

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.