Summary of Study ST004255

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 PR002683. The data can be accessed directly via it's Project DOI: 10.21228/M8V859 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 IDST004255
Study TitleUntargeted GC-MS metabolomics of deep eutectic solvent exposure in mouse
Study TypeUntargeted metabolomics
Study SummaryThe study was designed to perform untargeted GC-MS metabolomics to characterize metabolic aterations in mice following exposure to deep eutectic solvents. Biological samples including serum, liver, and kidney were collected from control and DES-treated groups under standardized experimental conditions. A total of 201 samples were analyzed using validated GC-MS workflows, and data processing involved deconvolution, feature alignment, normalization, and quality control using internal standards and pooled QC samples. The resulting dataset includes raw CDF files, processed feature tables, and detailed metadata to ensure reproducibility and facilitate downstream statitical and pathway analysis.
Institute
Sungkyunkwan University
DepartmentCollege of Pharmacy
LaboratoryProf. Jeongmi Lee's Laboratory (Bioanalysis)
Last NameKang
First NameYua
AddressCollege of Pharmacy, Sungkyunkwan University, 2066 Seubu-ro, Jangan-gu, Suwon-si, Gyeonggi-do, 16419, Republic of Korea
Emaildneyngos@skku.edu
Phone+82-31-290-7794
Submit Date2025-08-31
Raw Data AvailableYes
Raw Data File Type(s)cdf
Analysis Type DetailGC-MS
Release Date2025-10-28
Release Version1
Yua Kang Yua Kang
https://dx.doi.org/10.21228/M8V859
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR002683
Project DOI:doi: 10.21228/M8V859
Project Title:Toxicity assessment of deep eutectic solvent in mouse using GC-MS
Project Type:Untargeted metabolomics
Project Summary:This project aims to investigate the metabolic perturbations induced by deep eutectic solvent (DES) exposure in mammalian systems using untargeted metabolomics approaches. DESs are emerging as promising green solvents, but their potential biological toxicity remains largely unexplored. To address this gap, we employed a comprehensive GC-MS-based metabolomics analysis across multiple biological matrices, including serum, liver and kidney, from mice exposed to DES and appropriate control groups. The project seeks to provide mechanistic insights into the metabolic consequences of DES exposure and identify potential biomarkers associated with toxicity and adaptive metabolic responses.
Institute:Sungkyunkwan University
Department:College of Pharmacy
Laboratory:Prof. Jeongmi Lee's Laboratory (Bioanalysis)
Last Name:Kang
First Name:Yua
Address:College of Pharmacy, Sungkyunkwan University, 2066 Seubu-ro, Jangan-gu, Suwon-si, Gyeonggi-do, 16419, Republic of Korea
Email:dneyngos@skku.edu
Phone:+82-31-290-7794

Subject:

Subject ID:SU004407
Subject Type:Mammal
Subject Species:Mus musculus
Taxonomy ID:10090
Genotype Strain:ICR
Age Or Age Range:7-week-old
Weight Or Weight Range:28-34 g
Gender:Male
Animal Animal Supplier:OrientBio
Animal Light Cycle:12 h light/dark cycle

Factors:

Subject type: Mammal; Subject species: Mus musculus (Factor headings shown in green)

mb_sample_id local_sample_id Sample source Treatment
SA496556AA_8kidney AA
SA496557AA_1kidney AA
SA496558AA_2kidney AA
SA496559AA_4kidney AA
SA496560AA_5kidney AA
SA496561AA_6kidney AA
SA496562AA_7kidney AA
SA496563AA_3kidney AA
SA496564AAFD_9kidney AAFD
SA496565AAFD_8kidney AAFD
SA496566AAFD_1kidney AAFD
SA496567AAFD_2kidney AAFD
SA496568AAFD_3kidney AAFD
SA496569AAFD_4kidney AAFD
SA496570AAFD_5kidney AAFD
SA496571AAFD_6kidney AAFD
SA496572AAFD_10kidney AAFD
SA496573AAFD_7kidney AAFD
SA496574CON_6kidney CON
SA496575CON_5kidney CON
SA496576CON_4kidney CON
SA496577CON_3kidney CON
SA496578CON_2kidney CON
SA496579CON_7kidney CON
SA496580CON_8kidney CON
SA496581CON_1kidney CON
SA496582FD_10kidney DES_Freeze-drying
SA496583FD_2kidney DES_Freeze-drying
SA496584FD_3kidney DES_Freeze-drying
SA496585FD_4kidney DES_Freeze-drying
SA496586FD_5kidney DES_Freeze-drying
SA496587FD_6kidney DES_Freeze-drying
SA496588FD_7kidney DES_Freeze-drying
SA496589FD_8kidney DES_Freeze-drying
SA496590FD_12kidney DES_Freeze-drying
SA496591FD_11kidney DES_Freeze-drying
SA496592FD_9kidney DES_Freeze-drying
SA496593FD_1kidney DES_Freeze-drying
SA496594H_2kidney DES_Heating
SA496595H_12kidney DES_Heating
SA496596H_5kidney DES_Heating
SA496597H_6kidney DES_Heating
SA496598H_7kidney DES_Heating
SA496599H_8kidney DES_Heating
SA496600H_9kidney DES_Heating
SA496601H_4kidney DES_Heating
SA496602H_11kidney DES_Heating
SA496603H_10kidney DES_Heating
SA496604NH4C_l1kidney NH4Cl
SA496605NH4Cl_8kidney NH4Cl
SA496606NH4Cl_2kidney NH4Cl
SA496607NH4Cl_5kidney NH4Cl
SA496608NH4Cl_6kidney NH4Cl
SA496609NH4Cl_7kidney NH4Cl
SA496610NH4Cl_3kidney NH4Cl
SA496611QC_8-1kidney QC
SA496612QC_5-2kidney QC
SA496613QC_4-2kidney QC
SA496614QC_8-2kidney QC
SA496615QC_4-1kidney QC
SA496616QC_5-1kidney QC
SA496617QC_3kidney QC
SA496618QC_6kidney QC
SA496619QC_7kidney QC
SA496620QC_1-1kidney QC
SA496621QC_1-2kidney QC
SA496622QC_2kidney QC
SA496623AA1liver AA
SA496624AA2liver AA
SA496625AA3liver AA
SA496626AA4liver AA
SA496627AA5liver AA
SA496628AA6liver AA
SA496629AA8liver AA
SA496630AA7liver AA
SA496631AAFD1liver AAFD
SA496632AAFD2liver AAFD
SA496633AAFD3liver AAFD
SA496634AAFD6liver AAFD
SA496635AAFD7liver AAFD
SA496636AAFD8liver AAFD
SA496637AAFD9liver AAFD
SA496638AAFD10liver AAFD
SA496639AAFD4liver AAFD
SA496640AAFD5liver AAFD
SA496641CON1liver CON
SA496642CON2liver CON
SA496643CON3liver CON
SA496644CON4liver CON
SA496645CON5liver CON
SA496646CON6liver CON
SA496647CON7liver CON
SA496648CON8liver CON
SA496649FD11liver DES_Freeze-drying
SA496650FD6liver DES_Freeze-drying
SA496651FD1liver DES_Freeze-drying
SA496652FD2liver DES_Freeze-drying
SA496653FD4liver DES_Freeze-drying
SA496654FD5liver DES_Freeze-drying
SA496655FD7liver DES_Freeze-drying
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Collection:

Collection ID:CO004400
Collection Summary:Blood (serum), liver, and kidney tissues were collected from mice after respective treatment
Sample Type:blood (serum), liver, kidney
Collection Method:Blood collected by cardiac puncture, centrifuged to obtain serum. / Organs dissected, wash with saline, snap-frozen in liquid nitrogen
Collection Location:Sungkyunkwan University Laboratory Animal Center
Storage Conditions:-80℃

Treatment:

Treatment ID:TR004416
Treatment Summary:Mice were treated with saline (CON group), heated reline (DES_Heating group), freeze-dried reline (DES_Freeze-drying group), freeze-dried reline & ascorbic acid (AAFD group), and ammonium chloride (NH4Cl group) via oral gavage.
Treatment Compound:saline, heated reline, freeze-dried reline, freeze-dried reline + ascorbic acid, ammonium chloride
Treatment Route:oral gavage
Treatment Dose:1.8 g/kg for relines
Treatment Dosevolume:about 100 uL
Treatment Vehicle:saline
Animal Anesthesia:none
Animal Acclimation Duration:1 week
Animal Fasting:25 h (from -20 h to 5 h)
Animal Endp Euthanasia:cervical dislocation
Animal Endp Tissue Coll List:liver and kidney for metabolomics study / stomach for histopathology
Animal Endp Clinical Signs:none

Sample Preparation:

Sampleprep ID:SP004413
Sampleprep Summary:Serum, liver, and kidney were deproteinized and metabolites extracted using acetonitrile, 80% methanol, or chloroform/methanol/water (2:5:2), respectively, followed by drying and derivatization with methoxyamine hydrochloride and BSTFA prior to GC-MS analysis
Sampleprep Protocol Filename:DES_Protocol.txt
Processing Method:Deproteinization, Extraction, Drying, and Derivatization for GC-MS
Processing Storage Conditions:-80℃
Extraction Method:Precipitation and centrifugation
Extract Enrichment:Nitrogen evaporation
Extract Cleanup:0.2 um membrane filter
Extract Storage:On ice
Sample Resuspension:Pyridine
Sample Derivatization:Methoxyamination and silylation
Sample Spiking:Internal standard (ribitol and alanine-d4, stearic acid-d35)

Chromatography:

Chromatography ID:CH005376
Chromatography Summary:GC separation was performed on an Agilent HP5-MS capillary column (30mx0.25mm, 0.25um) with helium as carrier gas. This method was developed for serum sample
Methods Filename:DES_Protocol.txt
Instrument Name:Agilent 7890B
Column Name:Agilent HP5-MS (30m x 0.25mm, 0.25 um)
Column Temperature:80 °C -> 300 °C
Flow Gradient:none
Flow Rate:1.0 mL/min
Injection Temperature:300
Internal Standard:Alanine-d4, Ribitol
Sample Injection:1 uL (10:1 split mode)
Solvent A:none
Solvent B:none
Analytical Time:40 min
Oven Temperature:80 ℃ (5 min), ramp 6 ℃/min to 260 ℃, increase 10 ℃/min to 300 ℃, hold 1 min
Chromatography Type:GC
  
Chromatography ID:CH005377
Chromatography Summary:GC separation was performed on an Agilent HP5-MS capillary column (30mx0.25mm, 0.25um) with helium as carrier gas. This method was developed for liver
Methods Filename:DES_Protocol.txt
Instrument Name:Agilent 7890B
Column Name:Agilent HP5-MS (30m x 0.25mm, 0.25 um)
Column Temperature:80 °C -> 300 °C
Flow Gradient:none
Flow Rate:1.0 mL/min
Injection Temperature:300
Internal Standard:Alanine-d4, Stearic acid-d35
Sample Injection:1 uL (10:1 split mode)
Solvent A:none
Solvent B:none
Analytical Time:41 min
Oven Temperature:80 ℃ (4 min), ramp 5 ℃/min to 100 ℃, increase 5 ℃/min to 200 ℃, further increase to 300 ℃ at 10 ℃/min hold 3 min
Chromatography Type:GC
  
Chromatography ID:CH005378
Chromatography Summary:GC separation was performed on an Agilent HP5-MS capillary column (30mx0.25mm, 0.25um) with helium as carrier gas. This method was developed for kidney
Methods Filename:DES_Protocol.txt
Instrument Name:Agilent 7890B
Column Name:Agilent HP5-MS (30m x 0.25mm, 0.25 um)
Column Temperature:80 °C -> 300 °C
Flow Gradient:none
Flow Rate:1.0 mL/min
Injection Temperature:300
Internal Standard:Alanine-d4, Stearic acid-d35
Sample Injection:1 uL (10:1 split mode)
Solvent A:none
Solvent B:none
Analytical Time:41 min
Oven Temperature:80 ℃ (4 min), ramp 5 ℃/min to 100 ℃, increase 5 ℃/min to 200 ℃, further increase to 300 ℃ at 10 ℃/min hold 3 min
Chromatography Type:GC

Analysis:

Analysis ID:AN007079
Laboratory Name:Bioanalysis
Analysis Type:MS
Analysis Protocol File:IPO_result_table.pdf
Acquisition Date:2023.11.26 - 2023.11.28
Operator Name:Yua Kang
Data Format:CDF
Chromatography ID:CH005376
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST004255_AN007079_Results.txt
Units:peak intensity
  
Analysis ID:AN007080
Laboratory Name:Bioanalysis
Analysis Type:MS
Analysis Protocol File:IPO_result_table.pdf
Acquisition Date:2023.11.13 - 2023.11.15
Operator Name:Yua Kang
Data Format:CDF
Chromatography ID:CH005377
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST004255_AN007080_Results.txt
Units:peak intensity
  
Analysis ID:AN007081
Laboratory Name:Bioanalysis
Analysis Type:MS
Analysis Protocol File:IPO_result_table.pdf
Acquisition Date:2023.11.19 - 2023.11.21
Operator Name:Yua Kang
Data Format:CDF
Chromatography ID:CH005378
Has Mz:1
Has Rt:1
Rt Units:Minutes
Results File:ST004255_AN007081_Results.txt
Units:peak intensity
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