MassIVE MSV000084379

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GNPS_GC_ICL_breath_cancer_Study_1

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Description

The exhaled breath and blank TD tubes samples were analysed using TD-GC-MS. The TD tubes were desorbed using a Markes TD-100 thermal desorption unit (Markes International Ltd, Llantrisant, UK) using a two stage desorption programme, applying a constant flow of helium at 50 ml/min. In the primary desorption stage, TD tubes were dry-purged for 3 min and heated at 280C for 10 min. In the secondary desorption stage, the cold trap (U-T12ME-2S, Markes International Ltd, Llantrisant, UK) was rapidly (99 C/min) heated to from 10C to 290C. VOCs were transferred from the TD unit to the GC by means of a capillary line heated at 140C. GC-MS analysis was performed using an Agilent 7890B GC with 5977A MSD (Agilent Technologies Ltd, Santa Clara, USA) equipped with a ZB-642 capillary column (60m x 0.25mm ID x 1.40 um df; Phenomenex Inc, Torrance, USA) with helium used as the carrier gas (1.0 ml/min flow rate). The GC column temperature programme was set as follows: 4 min at 40C, ramp to 100C at 5C/min with a 1 min hold, ramp to 110C at 5C/min with a 1 min hold, ramp to 200C at 5C/min with a 1 min hold and finally ramp to 240C at 10C/min with a 4 min hold. The MS transfer line temperature was 240C and EI source conditions were 70 eV at 230C. Mass acquisition was carried out in the range 20-250 m/z with a rate of approximately 6 scans/s-1. [doi:10.25345/C5H66H] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: breath ; cancer ; volatiles ; GC-MS

Contact

Principal Investigators:
(in alphabetical order) 		George B Hanna, Imperial College London, United Kingdom
Submitting User: aaksenov
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GNPS content goes here (MSV000084379 [task=a4b43ea89a374c93909e1935dd6b22be])
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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.

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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.

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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.

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