MassIVE MSV000080500

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GNPS - NIH NGC Natural Products 2406 Standards analyzed by untargeted LC-MS/MS in negative ionization mode - part 1

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Description

NIH NGC Natural Products run by the Dorrestein Lab - 2406 Standards analyzed by untargeted LC-MS/MS in positive negative mode part 1. Note that each 96 well plate was divided as following: - One row represents a single plate. - Each well represents the pooling of the wells belonging to the same column for the corresponding plate. The MS/MS spectra have been uploaded on GNPS spectral library using an in-house script. Several adducts were retrieved for each compound. Some compounds could not be found during this process. Compound list can be found in Supplementary Files, as well as the LC-MS method used. Note that this dataset has been analyzed using one single LC method for both positive and negative ionization. Except few plates that were run with shorter LC-MS run in negative ion mode. [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: Natural products ; NIH ; Standards ; Spectral libraries ; Pure compounds

Contact

Principal Investigators:
(in alphabetical order) 		Ajit Jadhav, NIH, USA
Pieter Dorrestein, University of California San Diego, USA
Submitting User: lfnothias
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Experimental Design
    Conditions:
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Identification Results
    Proteins (Human, Remapped):
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    Variant Peptides:
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Quantification Results
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    Quantified Proteins:
 
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GNPS content goes here (MSV000080500 [task=66e0cdf35b6a4f96adb1fa2fc4e23687])
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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.