Summary of Study ST001876

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.

Study ID	ST001876
Study Title	Metabolomics analysis of multiple samples on Agilent 6546-Part 2
Study Type	Metabolomics
Study Summary	Metabolomics analysis of multiple samples from mouse, trying to annotate the metabolites in them. Agilent 6546 LC-QTOF was used for metabolomics detection.
Institute	Dalian Institute Of Chemical Physics
Laboratory	Laboratory of High Resolution Separation/Analysis and Metabonomics
Last Name	Zheng
First Name	Fujian
Address	No. 457 Zhongshan Road, Shahekou District, Dalian, Liaoning Province, China
Email	zhengfj@dicp.ac.cn
Phone	18698730176
Submit Date	2021-06-28
Raw Data Available	Yes
Raw Data File Type(s)	d
Analysis Type Detail	LC-MS
Release Date	2021-07-24
Release Version	1

Select appropriate tab below to view additional metadata details:

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:	SU001953
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
SA174857	Feces-15V-1	Feces	15V
SA174858	Feces-15V-6	Feces	15V
SA174859	Feces-15V-5	Feces	15V
SA174860	Feces-15V-2	Feces	15V
SA174861	Feces-15V-3	Feces	15V
SA174862	Feces-15V-4	Feces	15V
SA174863	Feces-30V-6	Feces	30V
SA174864	Feces-30V-4	Feces	30V
SA174865	Feces-30V-5	Feces	30V
SA174866	Feces-30V-2	Feces	30V
SA174867	Feces-30V-1	Feces	30V
SA174868	Feces-30V-3	Feces	30V
SA174869	Feces-45V-6	Feces	45V
SA174870	Feces-45V-5	Feces	45V
SA174871	Feces-45V-4	Feces	45V
SA174872	Feces-45V-1	Feces	45V
SA174873	Feces-45V-2	Feces	45V
SA174874	Feces-45V-3	Feces	45V
SA174875	Liver-15V-6	Liver	15V
SA174876	Liver-15V-5	Liver	15V
SA174877	Liver-15V-1	Liver	15V
SA174878	Liver-15V-4	Liver	15V
SA174879	Liver-15V-2	Liver	15V
SA174880	Liver-15V-3	Liver	15V
SA174881	Liver-30V-5	Liver	30V
SA174882	Liver-30V-4	Liver	30V
SA174883	Liver-30V-6	Liver	30V
SA174884	Liver-30V-3	Liver	30V
SA174885	Liver-30V-1	Liver	30V
SA174886	Liver-30V-2	Liver	30V
SA174887	Liver-45V-6	Liver	45V
SA174888	Liver-45V-5	Liver	45V
SA174889	Liver-45V-3	Liver	45V
SA174890	Liver-45V-1	Liver	45V
SA174891	Liver-45V-2	Liver	45V
SA174892	Liver-45V-4	Liver	45V

Showing results 1 to 36 of 36

Showing results 1 to 36 of 36

Collection:

Collection ID:	CO001946
Collection Summary:	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 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:	TR001965
Treatment Summary:	No treatment

Sample Preparation:

Sampleprep ID:	SP001959
Sampleprep Summary:	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.

Sampleprep ID:

SP001959

Sampleprep Summary:

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	AN003038
Analysis type	MS
Chromatography type	Reversed phase
Chromatography system	Agilent 1290 Infinity
Column	Waters Acquity BEH C8 (100 x 2.1mm,1.7um)
MS Type	ESI
MS instrument type	QTOF
MS instrument name	Agilent 6456 Q-TOF
Ion Mode	POSITIVE
Units	blank-substracted abundances

Chromatography:

Chromatography ID:	CH002251
Instrument Name:	Agilent 1290 Infinity
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:	MS002825
Analysis ID:	AN003038
Instrument Name:	Agilent 6456 Q-TOF
Instrument Type:	QTOF
MS Type:	ESI
MS Comments:	the capillary voltage was 3.5 kV, the sheath gas temperature and gas temperature were 350 and 325 °C, respectively. Sheath gas flow and gas flow were 11 and 7 L/min, respectively. Nebulizer was set as 35 psi. The data was processed by XCMS, MS-DIAL, MZmine 2 and MetEx.
Ion Mode:	POSITIVE