Description
In February 2025, flowing river water was sampled from the banks of the Ruhr, Rhine, Emscher and Lippe rivers in Germany. On the same day, a purified water blank was taken and stored over the same time period. All samples were immediately cooled after sampling, frozen as soon as possible, and stored at -20 C. After thawing, 250 mL were filtered with 0.2 um cellulose acetate syringe filters and extracted by Agilent Bond Elute LMS cartridges. Elution was performed with MeOH. Samples were reduced to dryness under an N2 stream and dissolved in 1 mL (MeOH:H2O (1:1, v/v)). UHPLC was performed using a Waters Acquity BEH C18 column (150 mm length, 1.7 um pore size). Data were acquired on a timsTOF fleX in PASEF mode in positive and negative polarity. Eluents were purified water (0.1% FA) and acetonitrile (0.1% FA). Data were also acquired on a 6530 Q-TOF LC/MS in DDA mode in positive and negative polarity. For this, eluents were purified water and acetonitrile.
[doi:10.25345/C51N7Z15G]
[dataset license: CC0 1.0 Universal (CC0 1.0)]
Keywords: environmental ; ion mobility ; dda ; river water ; DatasetType:Metabolomics
Contact
Principal Investigators:
(in alphabetical order)
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Uwe Karst, Universtity of Muenster, Germany
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| Submitting User: |
NiklasBendieck
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Conditions:
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Biological Replicates:
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Technical Replicates:
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| Identification Results |
Proteins (Human, Remapped):
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Proteins (Reported):
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Peptides:
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PSMs:
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Differential Proteins:
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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.
"N/A" means no results of this type were submitted.
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.
"N/A" means no results of this type were submitted.
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.
"N/A" means no results of this type were submitted.
Originally identified proteins that were automatically
remapped by MassIVE to proteins in the
SwissProt
human reference database.
"N/A" means no results of this type were submitted.
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.
"N/A" means no results of this type were submitted.
Number of distinct peptide sequences (including modified variants or peptidoforms) reported
across all analyses (original submission and reanalyses) associated with this dataset.
"N/A" means no results of this type were submitted.
Total number of peptide-spectrum matches (i.e. spectrum identifications) 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 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.
"N/A" means no results of this type were submitted.
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.