Metabolomics Workbench : NIH Data Repository

MB Sample ID: SA217843

Local Sample ID:	DSS A WK2 3
Subject ID:	SU002361
Subject Type:	Mammal
Subject Species:	Mus musculus
Taxonomy ID:	10090

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Subject:

Subject ID:	SU002361
Subject Type:	Mammal
Subject Species:	Mus musculus
Taxonomy ID:	10090

Factors:

Local Sample ID	MB Sample ID	Factor Level ID	Level Value	Factor Name
DSS A WK2 3	SA217843	FL026451	DSS	Group
DSS A WK2 3	SA217843	FL026451	14 ACUTE	Moment

Collection:

Collection ID:	CO002354
Collection Summary:	Fecal sample were collected and immediately snap frozen for metabolomics analysis at the end of experiment
Sample Type:	Colon

Treatment:

Treatment ID:	TR002373
Treatment Summary:	For induction of acute colitis, male mice of 8 weeks of age were administered with a single cycle of 0.7% (w/v) DSS for 7 days followed by 3 or 7 days of DSS-free drinking water. For induction of chronic colitis, male mice of 8 weeks of age were treated with 3 repeated DSS cycles of 7 days each followed by a recovery period of 14 days with DSS-free drinking water.

Sample Preparation:

Sampleprep ID:	SP002367
Sampleprep Summary:	A pool of 2 frozen stool samples from 2 independent mice (total dry weigh 15-25mg) from the different experimental groups [UN-Acute n=5; UN-Chronic n= 7; DSS-acute, at the end (n=5) or one week after DSS treatment (n=5) and DSS-chronic (n=8)] were mixed and shacked for two times in 750 l of aqueous solution with 75% of methanol, 0.1% of formic acid and 1ug/ml of formonetin as internal control for 20 min at room temperature. The mixture was then vortexed for 3 min followed by centrifugation at 15 000g for 15 min. The suspension (600μL) was used for metabolic profiling. For the LC-ESI-MS analysis, samples were transferred to HPLC tubes and an aliquot of 3 μL was injected for the analysis. Liquid chromatography coupled to high-resolution mass spectrometry conditions were as pre-viously reported https://www.mdpi.com/1422-0067/22/18/9716.

Sampleprep ID:

SP002367

Sampleprep Summary:

A pool of 2 frozen stool samples from 2 independent mice (total dry weigh 15-25mg) from the different experimental groups [UN-Acute n=5; UN-Chronic n= 7; DSS-acute, at the end (n=5) or one week after DSS treatment (n=5) and DSS-chronic (n=8)] were mixed and shacked for two times in 750 l of aqueous solution with 75% of methanol, 0.1% of formic acid and 1ug/ml of formonetin as internal control for 20 min at room temperature. The mixture was then vortexed for 3 min followed by centrifugation at 15 000g for 15 min. The suspension (600μL) was used for metabolic profiling. For the LC-ESI-MS analysis, samples were transferred to HPLC tubes and an aliquot of 3 μL was injected for the analysis. Liquid chromatography coupled to high-resolution mass spectrometry conditions were as pre-viously reported https://www.mdpi.com/1422-0067/22/18/9716.

Combined analysis:

Analysis ID	AN003717	AN003718
Analysis type	MS	MS
Chromatography type	Reversed phase	Reversed phase
Chromatography system	Thermo Dionex Ultimate	Thermo Dionex Ultimate
Column	Phenomenex Luna (100 x 2.1mm,2.5um)	Phenomenex Luna (100 x 2.1mm,2.5um)
MS Type	ESI	ESI
MS instrument type	Orbitrap	Orbitrap
MS instrument name	Thermo Q Exactive Orbitrap	Thermo Q Exactive Orbitrap
Ion Mode	POSITIVE	NEGATIVE
Units	m/z ratio	m/z ratio

Chromatography:

Chromatography ID:	CH002754
Instrument Name:	Thermo Dionex Ultimate
Column Name:	Phenomenex Luna (100 x 2.1mm,2.5um)
Chromatography Type:	Reversed phase

MS:

MS ID:	MS003466
Analysis ID:	AN003717
Instrument Name:	Thermo Q Exactive Orbitrap
Instrument Type:	Orbitrap
MS Type:	ESI
MS Comments:	ESI/APCI. Untargeted metabolomics was performed using the Compound Discovered software (Thermofisher Scientific), which performs chromatogram alignment, peak picking, and public database (e.g., ChemSpider, KEGG, Metabolika) querying based on accurate masses (m/z).
Ion Mode:	POSITIVE

MS ID:	MS003467
Analysis ID:	AN003718
Instrument Name:	Thermo Q Exactive Orbitrap
Instrument Type:	Orbitrap
MS Type:	ESI
MS Comments:	ESI/APCI. Untargeted metabolomics was performed using the Compound Discovered software (Thermofisher Scientific), which performs chromatogram alignment, peak picking, and public database (e.g., ChemSpider, KEGG, Metabolika) querying based on accurate masses (m/z).
Ion Mode:	NEGATIVE