MassIVE MSV000093223

Partial Public

Stable-isotope analysis of nitrate using ESI-Orbitrap IRMS

Subscribe Comment Reanalyze Spectra Add Reanalysis

Description

Data analyzed within Procedure 2 in Kantnerova et al. 2024 in Nature Protocols (https://doi.org/10.1038/s41596-024-00981-5). Procedure 2 describes the stable isotope analysis of the model analyte nitrate (NO3-) by applying the flow injection using an HPLC system with an autosampler. The nitrate data were collected using a Thermo Scientific Orbitrap Exploris 240 Isotope Solutions. Sample = USGS32, Reference = USGS35 (nitrate isotopic reference materials from the United States Geological Survey), 50 uM nitrate in methanol. Isotopocule data collected "with M0" base peak. RAW files were processed using the IsoX software (version 2022) using the isotopologs.tsv files as input. There are three datasets with the following prefixes: "01_" - USGS32 vs USGS35, optimal ion source conditions, 13 alternating injections of USGS35 and USGS32 + 2 blank methanol measurements "02_" - USGS32 vs USGS35, non-optimal ion-source conditions, 13 alternating injections of USGS35 and USGS32 + 2 blank methanol measurements "03_" - USGS32 vs USGS35, alternating injections of USGS35 and USGS32 extended to a total of 315 injections. Before rerunning the IsoX data analysis, remove the prefixes "01_", "02_" and "03_" from the respective .tsv files. [doi:10.25345/C5SJ1B24H] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: isotope analysis ; nitrate ; stable isotopes ; isotopocule ; IRMS

Contact

Principal Investigators:
(in alphabetical order) 		Cajetan Neubauer, University of Colorado Boulder, USA
Submitting User: isoorbi

Publications

Kantnerová, K., Kuhlbusch, N., Juchelka, D., Hilkert, A., Kopf, S., Neubauer, C.
A guide to precise measurements of isotope abundance by ESI-Orbitrap MS.
Nat Protoc. 2024. doi: 10.1038/s41596-024-00981-5.

Number of Files:
Total Size:
Spectra:
Subscribers:
 
Owner Reanalyses
Experimental Design
    Conditions:
    Biological Replicates:
    Technical Replicates:
 
Identification Results
    Proteins (Human, Remapped):
    Proteins (Reported):
    Peptides:
    Variant Peptides:
    PSMs:
 
Quantification Results
    Differential Proteins:
    Quantified Proteins:
 
Browse Dataset Files
 
FTP Download Link (click to copy):

Species

Instrument

Modifications

- Dataset Reanalyses

+ Dataset History

Click here to queue conversion of this dataset's submitted spectrum files to open formats (e.g. mzML). This process may take some time.

When complete, the converted files will be available in the "ccms_peak" subdirectory of the dataset's FTP space (accessible via the "FTP Download" link to the right).
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.