MassIVE MSV000082891

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GNPS Fecal samples of mice exposed to heavy metals

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Description

Fecal samples of C57BL/6 mice exposed to relevant levels of cadmium and arsenic over two weeks in the drinking water. Sample types include controls, arsenic and cadmium groups. The samples were analyzed by liquid chromatography tandem mass spectrometry (LC-MS/MS) and data was recorded in a data dependent manner, on a Q-Exactive (Thermo scientific, Bremen, Germany). An EASY nLC-1000 liquid chromatography system (Thermo scientific, Odense, Denmark) was coupled to the mass spectrometer through a 2 cm C18 pre-column (300 um inner diameter and 1.9 um particle size) and a self-packed 15 cm (Pico Frit columns from New Objective with a 75 um inner diameter, packed with ( 1.9um C18 Dr Maisch Mat. No. r119.a). Metabolites were eluted with a mobile phase consisting of solvent A (0.1% formic acid) and B (80% acetonitrile in 0.1% formic acid). The concentration of solvent B was linearly increased from 2-10% over 3 min and from 10-95% solution B over 15min. Solvent B was maintained at 95% for 2 min. Full scans were acquired in the Orbitrap with a resolution of 70000, maximum injection time of 20 ms and a scan range of 80-1200 m/z using a Top 10 method with an isolation window of 1.6 Da and a dynamic exclusion time of 15 sec. For the MS/MS scans the resolution was adjusted to 17500 and maximum injection time of 60 ms. Ions were fragmented in a higher-energy collision dissociation (HCD) cell with normalized collision energy (NCE) of 30%. [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: C57BL/6 ; heavy metal exposure ; gut microbiome ; gut metabolites

Contact

Principal Investigators:
(in alphabetical order) 		Christopher Rensing, Fujian Provincial Key Laboratory of Soil Environmental Health and Regulation, College of Resources and Environment, Fujian Agriculture and Forestry University, Fuzhou, China
Submitting User: mernst
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GNPS content goes here (MSV000082891 [task=5de1d403ab894020a80d32c6314e8293])
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Number of distinct conditions across all analyses (original submission and reanalyses) associated with this dataset.

Distinct condition labels are counted across all files submitted in the "Metadata" category having a "Condition" column in this dataset.

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Number of distinct biological replicates across all analyses (original submission and reanalyses) associated with this dataset.

Distinct replicate labels are counted across all files submitted in the "Metadata" category having a "BioReplicate" or "Replicate" column in this dataset.

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Number of distinct technical replicates across all analyses (original submission and reanalyses) associated with this dataset.

The technical replicate count is defined as the maximum number of times any one distinct combination of condition and biological replicate was analyzed across all files submitted in the "Metadata" category. In the case of fractionated experiments, only the first fraction is considered.

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Originally identified proteins that were automatically remapped by MassIVE to proteins in the SwissProt human reference database.

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Number of distinct protein accessions reported across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct unmodified peptide sequences reported across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct peptide sequences (including modified variants or peptidoforms) reported across all analyses (original submission and reanalyses) associated with this dataset.

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Total number of peptide-spectrum matches (i.e. spectrum identifications) reported across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct proteins quantified across all analyses (original submission and reanalyses) associated with this dataset.

Distinct protein accessions are counted across all files submitted in the "Statistical Analysis of Quantified Analytes" category having a "Protein" column in this dataset.

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Number of distinct proteins found to be differentially abundant in at least one comparison across all analyses (original submission and reanalyses) associated with this dataset.

A protein is differentially abundant if its change in abundance across conditions is found to be statistically significant with an adjusted p-value <= 0.05 and lists no issues associated with statistical tests for differential abundance.

Distinct protein accessions are counted across all files submitted in the "Statistical Analysis of Quantified Analytes" category having a "Protein" column in this dataset.

"N/A" means no results of this type were submitted.
This dataset may not contain all raw spectra data as originally deposited in PRIDE. It has been imported to MassIVE for reanalysis purposes, so its spectra data here may consist solely of processed peak lists suitable for reanalysis with most software.