Summary of Study ST002316

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR001484. The data can be accessed directly via it's Project DOI: 10.21228/M8WT54 This work is supported by NIH grant, U2C- DK119886.


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 IDST002316
Study TitleDifferential requirements for mitochondrial electron transport chain components in the adult murine liver - Untargeted Metabolomics (qTOF)
Study SummaryWild-type and knockout mice (Ndufa9 and Cox10) livers were harvested on liquid nitrogen. Samples were crushed on liquid nitrogen, lysed in 80% ACN, and immediately injected onto the QE.
The University of Texas Southwestern Medical Center at Dallas
DepartmentChildren's Research Institute
LaboratoryPrashant Mishra
Last NameLesner
First NameNicholas
Address6000 Harry Hines BLVD
Submit Date2022-08-23
Num Groups8
Total Subjects60
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2022-11-01
Release Version1
Nicholas Lesner Nicholas Lesner application/zip

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Combined analysis:

Analysis ID AN003783
Analysis type MS
Chromatography type Reversed phase
Chromatography system Agilent 1290
Column Waters Acquity UPLC HSS T3 (150 x 2.1mm,1.8um)
MS instrument type QTOF
MS instrument name Agilent 6550 QTOF
Units area


Chromatography ID:CH002797
Chromatography Summary:Data acquisition was performed by reverse-phase chromatography on a 1290 UHPLC liquid chromatography (LC) system interfaced to a high-resolution mass spectrometry (HRMS) 6550 iFunnel Q-TOF mass spectrometer (MS) (Agilent Technologies, CA). The MS was operated in both positive and negative (ESI+ and ESI-) modes. Analytes were separated on an Acquity UPLC® HSS T3 column (1.8 μm, 2.1 x 150 mm, Waters, MA). The column was kept at room temperature. Mobile phase A composition was 0.1% formic acid in water and mobile phase B composition was 0.1% formic acid in 100% ACN. The LC gradient was 0 min: 1% B; 5 min: 5% B; 15 min: 99% B; 23 min: 99% B; 24 min: 1% B; 25 min: 1% B. The flow rate was 250 μL min-1. The sample injection volume was 5 μL. ESI source conditions were set as follows: dry gas temperature 225 °C and flow 18 L min-1, fragmentor voltage 175 V, sheath gas temperature 350 °C and flow 12 L min-1, nozzle voltage 500 V, and capillary voltage +3500 V in positive mode and −3500 V in negative. The instrument was set to acquire over the full m/z range of 40–1700 in both modes, with the MS acquisition rate of 1 spectrum s-1 in profile format. Raw data files were processed using Profinder B.08.00 SP3 software (Agilent Technologies, CA) with an in-house database containing retention time and accurate mass information on 600 standards from Mass Spectrometry Metabolite Library (IROA Technologies, MA) which was created under the same analysis conditions. The in-house database matching parameters were mass tolerance 10 ppm; retention time tolerance 0.5 min. Peak integration result was manually curated in Profinder for improved consistency
Chromatography Comments:The LC gradient was 0 min: 1% B; 5 min: 5% B; 15 min: 99% B; 23 min: 99% B; 24 min: 1% B; 25 min: 1% B.
Instrument Name:Agilent 1290
Column Name:Waters Acquity UPLC HSS T3 (150 x 2.1mm,1.8um)
Flow Gradient:0 min: 1% B; 5 min: 5% B; 15 min: 99% B; 23 min: 99% B; 24 min: 1% B; 25 min: 1% B
Flow Rate:250 uL/min
Injection Temperature:37
Sample Injection:5 uL
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Chromatography Type:Reversed phase