Summary of Study ST001875

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 PR001182. The data can be accessed directly via it's Project DOI: 10.21228/M8XD6P 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 IDST001875
Study TitleMetabolomics analysis of multiple samples on AB 5600-Part 2
Study TypeMetabolomics
Study SummaryMetabolomics analysis of multiple samples from mouse, trying to annotate the metabolites in them. AB SCIEX 5600+ was used for metabolomics detection.
Institute
Dalian Institute Of Chemical Physics
LaboratoryLaboratory of High Resolution Separation/Analysis and Metabonomics
Last NameZheng
First NameFujian
AddressNo. 457 Zhongshan Road, Shahekou District, Dalian, Liaoning Province, China
Emailzhengfj@dicp.ac.cn
Phone18698730176
Submit Date2021-06-28
Raw Data AvailableYes
Raw Data File Type(s)wiff
Analysis Type DetailLC-MS
Release Date2021-07-24
Release Version1
Fujian Zheng Fujian Zheng
https://dx.doi.org/10.21228/M8XD6P
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001182
Project DOI:doi: 10.21228/M8XD6P
Project Title:Metabolomics analysis of multiple samples
Project Summary:Liquid chromatography–high resolution mass spectrometry (LC-HRMS) is the most popular platform for untargeted metabolomics methods, but annotating LC-HRMS data is a long-standing bottleneck that we are facing since years ago in metabolomics research. A wide variety of methods have been established to deal with the annotation issue. To date, however, there is a scarcity of efficient, systematic, and easy-to-handle tools that are tailored for metabolomics and exposome community. Herein, we developed a user-friendly and powerful stand-alone software, MetEx, to enable implementation of classical peak detection-based annotation and a brand-new annotation method based on targeted extraction algorithms. Especially the newly proposed annotation method of targeted extraction can identify more than 2 times more metabolites than traditional peak detection-based annotation methods because it reduces the loss of metabolite signal in the data preprocessing process.
Institute:Dalian Institute of Chemical Physics
Laboratory:Laboratory of High Resolution Separation/Analysis and Metabonomics
Last Name:Zheng
First Name:Fujian
Address:457 Zhongshan Road Dalian, China 116023, Dalian, Liaoning, 116021, China
Email:zhengfj@dicp.ac.cn
Phone:18698730176

Subject:

Subject ID:SU001952
Subject Type:Mammal
Subject Species:Mus musculus
Taxonomy ID:10090

Factors:

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

mb_sample_id local_sample_id Source MS2 CE
SA174851Mouse faeces-15VMouse feces 15V
SA174852Mouse faeces-30VMouse feces 30V
SA174853Mouse faeces-45VMouse feces 45V
SA174854Mouse liver tissue-15VMouse liver 15V
SA174855Mouse liver tissue-30VMouse liver 30V
SA174856Mouse liver tissue-45VMouse liver 45V
Showing results 1 to 6 of 6

Collection:

Collection ID:CO001945
Collection Summary:Faecal samples and liver tissue were collected and immediately stored at -80 °C for further analysis.
Sample Type:Mouse feces and liver
Storage Conditions:-80℃

Treatment:

Treatment ID:TR001964
Treatment Summary:No treatment

Sample Preparation:

Sampleprep ID:SP001958
Sampleprep Summary:Mouse liver tissue: Six- to eight-week-old male C57BL/6 mice were fed a regular standard breeding diet and housed under standard pathogen-free (SPF) conditions. Faecal samples were collected and immediately stored at -80 °C for further analysis. After the mice were sacrificed, liver tissue was sampled, immediately frozen in liquid nitrogen, and then stored at -80 °C. The study was approved by the Animal Ethics Committee of Saiye Biology (ACU20-A027). Mouse liver tissue (20 mg) and 600 μL CH3OH/H2O (8:2, vol/vol) solvent were combined in a centrifuge tube and then homogenized (28 Hz, 60 s and 30 s) in a frozen mixed ball grinding machine (MM400, Retsch Technology, Han, Germany). The mixture was centrifuged for 10 min at 15,000 g and 4 °C, 500 μL of supernatant was transferred to a new centrifuge tube for lyophilization, and the residue was reconstituted with 100 μL of Mix-IS-MeOH.Mouse faeces: A 60 mg sample of mouse faeces and 600 μL CH3OH/H2O (8:2, vol/vol) solvent were combined in a centrifuge tube and then homogenized (28 Hz, 60 s and 30 s) in a frozen mixed ball grinding machine (MM400, Retsch Technology, Han, Germany). The mixture was centrifuged for 10 min at 15,000 g and 4 °C; then, 500 μL of supernatant was transferred to a new centrifuge tube for lyophilization, and the residue was reconstituted with 100 μL of Mix-IS-MeOH.

Combined analysis:

Analysis ID AN003037
Analysis type MS
Chromatography type Reversed phase
Chromatography system Waters Acquity
Column Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
MS Type ESI
MS instrument type QTOF
MS instrument name ABI Sciex 5600+ TripleTOF
Ion Mode POSITIVE
Units blank-substracted abundances

Chromatography:

Chromatography ID:CH002250
Instrument Name:Waters Acquity
Column Name:Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
Column Temperature:50
Flow Rate:0.35 mL/min
Chromatography Type:Reversed phase

MS:

MS ID:MS002824
Analysis ID:AN003037
Instrument Name:ABI Sciex 5600+ TripleTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The spray voltage was 5.5 kV and the source temperature was 550 °C, Curtain gas, gas 1 and gas 2 were set at 35, 55, and 55 psi, respectively. The data was processed by XCMS, MS-DIAL, MZmine 2 and MetEx.
Ion Mode:POSITIVE
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