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GNPS_GC_ICL_breath_cancer_Study_2

ABSTRACT: 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.

INSTRUMENT(S): Agilent 7890B GC with 5977A MSD

ORGANISM(S): Homo Sapiens (ncbitaxon:9606)

SUBMITTER: George B Hanna

PROVIDER: MSV000084380 | GNPS |

REPOSITORIES: GNPS

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