MassIVE MSV000097103

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GNPS - Ulnaria_parasites_temperature_cell_profiling

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Description

Comparison of metabolic profiling from algal cell extracts using UHPLC-HRMS (Orbitrap Q Exactive). Benthic diatom Ulnaria were healthy or infected with either chytrid or oomycete parasites, and subjected to temperature increase. Data from 20231125_xx was analyzed using C18 column, data from 20251125_xx_zh was analyzed using Zic-Hilic column; both dataset consists of cell profiling with polarity switch (MS1) and ddMS acquisition on the QC pool sample in positive and negative polarity (indicated by neg_ID or pos_ID in the title name). QC pool blank was also run with the polarity switch to acquire MS1 data. Data from 20241222_xx was analyzed using RP18 column, in negative polarity and using ddMS acquisition for all samples, including blank and QC pool sample. In supplementary files are the study and result files from Compound Discoverer, the metadata table with normalization factor, sample code and condition, and the resulting peak lists after peak deconvolution that were used for annotation (.xls) and for statistical analysis in MetaboAnalyst (.csv) [doi:10.25345/C50863J1F] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: Ulnaria ; Diatom ; Algae ; Parasites ; chytrid ; oomycete ; cell profiling ; LCMS ; DatasetType:Metabolomics

Contact

Principal Investigators:
(in alphabetical order) 		Dr. Marine Vallet, Friedrich Schiller University Jena, Max Planck Institute for Chemical Ecology, Germany
Submitting User: MarineValletMPICE
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Experimental Design
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Identification Results
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Quantification Results
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GNPS content goes here (MSV000097103 [task=37192dc7e9574299b754e379c0caea0f])
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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.

"N/A" means no results of this type were submitted.
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.