Summary of Study ST004304

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR002720. The data can be accessed directly via it's Project DOI: 10.21228/M82N9G This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST004304
Study TitleUntargeted UHPLC-Q-Orbitrap Metabolomic Profiling of Cattle Serum after Testosterone Propionate Administration
Study TypeUntargeted Metabolomics
Study SummaryThis study presents an untargeted metabolomic analysis of cattle serum using UHPLC-Q-Orbitrap mass spectrometry to investigate metabolic alterations following testosterone propionate administration. The data include raw and processed MS files, feature tables, and statistical analyses supporting biomarker discovery and pathway elucidation.
Institute
Universidade Federal de Minas Gerais
DepartmentDepartment of Chemistry
Laboratory261A
Last NameRocha
First NameDiego
AddressAv. Antônio Carlos 6627, Belo Horizonte, MG, 31270-901, Brazil
Emaildiegogr.ufmg@gmail.com
Phone553134095734
Submit Date2025-10-21
Num Groups-
Total Subjects-
Num Males-
Num Females-
Study Comments-
Publications-
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-11-12
Release Version1
Diego Rocha Diego Rocha
https://dx.doi.org/10.21228/M82N9G
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR002720
Project DOI:doi: 10.21228/M82N9G
Project Title:Untargeted UHPLC-Q-Orbitrap Metabolomic Profiling of Cattle Serum after Testosterone Propionate Administration
Project Type:Untargeted Metabolomics
Project Summary:The misuse of anabolic androgenic steroids in livestock remains a major concern for food safety and regulatory monitoring, as exogenous administration of endogenous hormones such as testosterone is difficult to confirm using conventional analytical approaches. This project aimed to develop an untargeted metabolomics workflow based on ultra-high-performance liquid chromatography coupled to high-resolution Orbitrap mass spectrometry (UHPLC-Q-Orbitrap-MS) to investigate metabolic alterations in cattle serum following testosterone propionate administration. The study focused on optimizing data acquisition and processing strategies, including feature detection, alignment, and statistical evaluation using multivariate and univariate approaches. The resulting workflow provides a comprehensive analytical framework that can support future regulatory and research applications related to hormone misuse detection in food-producing animals.
Institute:Universidade Federal de Minas Gerais
Department:Department of Chemistry
Laboratory:261A
Last Name:Rocha
First Name:Diego
Address:Av Antônio Carlos 6627, Belo Horizonte, MG, 31270-901, Brazil
Email:diegogr.ufmg@gmail.com
Phone:553134095734

Subject:

Subject ID:SU004457
Subject Type:Mammal
Subject Species:Bos taurus
Taxonomy ID:9913
Genotype Strain:-
Age Or Age Range:-
Weight Or Weight Range:-
Height Or Height Range:-
Gender:Male
Animal Animal Supplier:-
Animal Housing:-
Animal Light Cycle:-
Animal Feed:-
Animal Water:-
Animal Inclusion Criteria:-
Species Group:-

Factors:

Subject type: Mammal; Subject species: Bos taurus (Factor headings shown in green)

mb_sample_id local_sample_id Sample source Treated
SA505262C1-D1Serum Control
SA505263T2-D-5Serum Control
SA505264T2-D-4Serum Control
SA505265T2-D0Serum Control
SA505266T3-D-5Serum Control
SA505267T3-D-4Serum Control
SA505268T3-D0Serum Control
SA505269T4-D-5Serum Control
SA505270T4-D-4Serum Control
SA505271T4-D0Serum Control
SA505272C1-D8Serum Control
SA505273T1-D-5Serum Control
SA505274C1-D18Serum Control
SA505275C2-D1Serum Control
SA505276C2-D8Serum Control
SA505277C2-D18Serum Control
SA505278C3-D1Serum Control
SA505279C3-D8Serum Control
SA505280C3-D18Serum Control
SA505281C4-D1Serum Control
SA505282C4-D8Serum Control
SA505283C4-D18Serum Control
SA505284T1-D-4Serum Control
SA505285T1-D0Serum Control
SA505286QC-D2-BSerum QC
SA505287QC-D5-DSerum QC
SA505288QC-D5-CSerum QC
SA505289QC-D5-BSerum QC
SA505290QC-D5-ASerum QC
SA505291QC-D2-DSerum QC
SA505292QC-D2-CSerum QC
SA505293QC-D2-ASerum QC
SA505294T2-D2Serum Treated
SA505295T2-D8Serum Treated
SA505296T2-D5Serum Treated
SA505297T4-D12Serum Treated
SA505298T2-D1Serum Treated
SA505299T1-D8Serum Treated
SA505300T1-D5Serum Treated
SA505301T3-D2Serum Treated
SA505302T3-D1Serum Treated
SA505303T3-D5Serum Treated
SA505304T4-D15Serum Treated
SA505305T2-D15Serum Treated
SA505306T4-D18Serum Treated
SA505307T3-D18Serum Treated
SA505308T3-D15Serum Treated
SA505309T1-D2Serum Treated
SA505310T3-D12Serum Treated
SA505311T2-D18Serum Treated
SA505312T2-D12Serum Treated
SA505313T3-D8Serum Treated
SA505314T1-D18Serum Treated
SA505315T1-D15Serum Treated
SA505316T1-D12Serum Treated
SA505317T4-D8Serum Treated
SA505318T4-D5Serum Treated
SA505319T4-D2Serum Treated
SA505320T4-D1Serum Treated
SA505321T1-D1Serum Treated
Showing results 1 to 60 of 60

Collection:

Collection ID:CO004450
Collection Summary:Blood samples were collected from male cattle by jugular venipuncture. Serum was obtained after clotting and centrifugation, and stored at −80°C until analysis.
Sample Type:Blood (serum)

Treatment:

Treatment ID:TR004466
Treatment Summary:Serum samples (n = 52) were collected from two groups of animals: four treated steers and four untreated controls. For the treated group (n = 40 samples), collections were performed on days −5, −4, 0 (before drug administration), 1 (6 h after administration), 2, 5, 8, 12, 15, and 18. For the control group (n = 12 samples), collections were performed on days 1, 8, and 18. In addition, pre-treatment samples from the treated steers (n = 12 from days −5, −4, 0) were included as controls. For supervised analysis, samples from days 2, 5, and 8 of the treated group were considered truly positive, while all samples from untreated animals and pre-treatment samples from treated animals were considered truly negative (n = 24).

Sample Preparation:

Sampleprep ID:SP004463
Sampleprep Summary:Serum samples (500 µL) were firstly spiked with 100 µL of the internal standard (IS - 17β-boldenone-d3) solution in Eppendorf tubes (2 mL), followed by the addition of 50 mg of NaCl and 1 mL of acetonitrile. The tubes were vortexed for 30 s and then two quality control (QC) samples were centrifuged at 17,970 g at 0°C for 30 min using a Sigma 3-30KS high-speed centrifuge (Sigma Laborzentrifugen GmbH, Osterode am Harz, Germany). The supernatant (500 µL) was transferred to 2 mL autosampler vials, to which 300 µL of ultrapure water were added.

Chromatography:

Chromatography ID:CH005440
Instrument Name:Thermo Accela 1250
Column Name:Thermo Hypersil GOLD aQ (100 x 2.1 mm, 1.9 µm)
Column Temperature:40°C
Flow Gradient:5% B for 0.8 min; linear increase to 100% B until 10.0 min; 100% B until 14.0 min; linear decrease to 5% B until 17.0 min; 5% B until 24.0 min.
Flow Rate:0.3 mL/min
Solvent A:100% Water
Solvent B:100% Methanol
Chromatography Type:Reversed phase

Analysis:

Analysis ID:AN007161
Analysis Type:MS
Chromatography ID:CH005440
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST004304_AN007161_Results.txt
Units:arbitrary units
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