MassIVE MSV000100564

Partial Public

Degradation of deuterated NIs (DMPP and MBOA) in soil

Subscribe Comment Convert Spectra Add Reanalysis

Description

Goal :
Detection of unknown degradation products of the nitrification inhibitors DMPP (SNI) and MBOA (BNI) in three different soils (Wieselburg, Marchfeld, and Linz).

List of samples:
Same labeling scheme for all three soils (L, MF, WB)
Sample NR | Timepoint | Treatment | weighed soil [g] | Which medium is it stored in
1 | T0 (same day) | DMPP | 0.25 | HPLC-eluent
5 | T0 (same day) | DMPP | 0.25 | HPLC-eluent
6 | T0 (same day) | DMPP - stable isotope | 0.25 | HPLC-eluent
10 | T0 (same day) | DMPP - stable isotope | 0.25 | HPLC-eluent
11 | T0 (same day) | MBOA | 0.25 | Acetonirile
15 | T0 (same day) | MBOA | 0.25 | Acetonirile
16 | T0 (same day) | MBOA - stable isotope | 0.25 | Acetonirile
20 | T0 (same day) | MBOA - stable isotope | 0.25 | Acetonirile
21 | T0 (same day) | Control | 0.25 | HPLC-eluent
25 | T0 (same day) | Control | 0.25 | Acetonirile
26 | T1 (after 3 days) | DMPP | 0.25 | HPLC-eluent
30 | T1 (after 3 days) | DMPP | 0.25 | HPLC-eluent
31 | T1 (after 3 days) | DMPP - stable isotope | 0.25 | HPLC-eluent
35 | T1 (after 3 days) | DMPP - stable isotope | 0.25 | HPLC-eluent
36 | T1 (after 3 days) | MBOA | 0.25 | Acetonirile
40 | T1 (after 3 days) | MBOA | 0.25 | Acetonirile
41 | T1 (after 3 days) | MBOA - stable isotope | 0.25 | Acetonirile
45 | T1 (after 3 days) | MBOA - stable isotope | 0.25 | Acetonirile
46 | T1 (after 3 days) | Control | 0.25 | Acetonirile
50 | T1 (after 3 days) | Control | 0.25 | HPLC-eluent
51 | T2 (after 10 days) | DMPP | 0.25 | HPLC-eluent
55 | T2 (after 10 days) | DMPP | 0.25 | HPLC-eluent
56 | T2 (after 10 days) | DMPP - stable isotope | 0.25 | HPLC-eluent
60 | T2 (after 10 days) | DMPP - stable isotope | 0.25 | HPLC-eluent
61 | T2 (after 10 days) | MBOA | 0.25 | Acetonirile
65 | T2 (after 10 days) | MBOA | 0.25 | Acetonirile
66 | T2 (after 10 days) | MBOA - stable isotope | 0.25 | Acetonirile
70 | T2 (after 10 days) | MBOA - stable isotope | 0.25 | Acetonirile
71 | T2 (after 10 days) | Control | 0.25 | HPLC-eluent
75 | T2 (after 10 days) | Control | 0.25 | Acetonirile
76 | T3 (after 14 days) | DMPP | 0.25 | HPLC-eluent
80 | T3 (after 14 days) | DMPP | 0.25 | HPLC-eluent
81 | T3 (after 14 days) | DMPP - stable isotope | 0.25 | HPLC-eluent
85 | T3 (after 14 days) | DMPP - stable isotope | 0.25 | HPLC-eluent
86 | T3 (after 14 days) | MBOA | 0.25 | Acetonirile
90 | T3 (after 14 days) | MBOA | 0.25 | Acetonirile
91 | T3 (after 14 days) | MBOA - stable isotope | 0.25 | Acetonirile
95 | T3 (after 14 days) | MBOA - stable isotope | 0.25 | Acetonirile
96 | T3 (after 14 days) | Control | 0.25 | Acetonirile
100 | T3 (after 14 days) | Control | 0.25 | HPLC-eluent

Concentrations:
all smaples have 130ug of (NH4)2SO4
DMPP samples have 1,3ug of DMPP per 1 g soil
MBOA samples have 300ug of MBOA per 1 g soil
for samples that are isotopically labeled the amount of Inhibitor was split between the unlabeled and labeled compound
5ul of the respective solution was added to the sample.

Measurements according to 10.1021/ac503290j, but with an Q Exactive HF instrument

Results:
D patterns unfortunately also always show up in the T0 controls --> so it's unlikely to be biological breakdown/degradation products

[doi:10.25345/C5NC5SS2W] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: biological nitrification inhibitors ; DatasetType:Metabolomics

Contact

Principal Investigators:
(in alphabetical order) 		christoph bueschl, BOKU university, Austria
Submitting User: christophb
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.