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Volatile organic compounds (VOCs) found in breath can offer critical insight into a person\u2019s lifestyle and\/or disease\/health state. To this end, the development of a rapid, sensitive, cost-effective and potentially portable method for the detection of key compounds in breath would mark a significant advancement. Herein, we have designed, built and tested a novel reagent-less atmospheric pressure photoionisation (APPI) source, coupled with mass spectrometry (MS), utilising a bespoke bias electrode within a custom 3D printed sampling chamber for direct analysis of VOCs. Optimal APPI-MS conditions were identified, including bias voltage, cone voltage and vaporisation temperature. Calibration curves were produced for ethanol, acetone, 2-butanone, ethyl acetate and eucalyptol, yielding R\n                    <jats:sup>2<\/jats:sup>\n                    \u2009&gt;\u20090.99 and limits of detection\u2009&lt;\u200910\u00a0pg. As a pre-clinical proof of concept, this method was applied to bacterial headspace samples of\n                    <jats:italic>Escherichia coli<\/jats:italic>\n                    (EC),\n                    <jats:italic>Pseudomonas aeruginosa<\/jats:italic>\n                    (PSA) and\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    (SA) collected in 1\u00a0L Tedlar bags. In particular, PSA and SA are commonly associated with lung infection in cystic fibrosis patients. The headspace samples were classified using principal component analysis with 86.9% of the total variance across the first three components and yielding 100% classification in a blind-sample study. All experiments conducted with the novel APPI arrangement were carried out directly in real-time with low-resolution MS, which opens up exciting possibilities in the future for on-site (e.g., in the clinic) analysis with a portable system.\n                  <\/jats:p>","DOI":"10.1038\/s41598-024-66851-y","type":"journal-article","created":{"date-parts":[[2024,7,24]],"date-time":"2024-07-24T05:02:47Z","timestamp":1721797367000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Rapid differentiation of cystic fibrosis-related bacteria via reagentless atmospheric pressure photoionisation mass spectrometry"],"prefix":"10.1038","volume":"14","author":[{"given":"Adam","family":"Haworth-Duff","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Barry L.","family":"Smith","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tung-Ting","family":"Sham","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cedric","family":"Boisdon","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paul","family":"Loughnane","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mark","family":"Burnley","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel B.","family":"Hawcutt","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rasmita","family":"Raval","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simon","family":"Maher","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2024,7,24]]},"reference":[{"issue":"Suppl 1","key":"66851_CR1","doi-asserted-by":"publisher","first-page":"S23","DOI":"10.1016\/j.jcf.2014.03.010","volume":"13","author":"AR Smyth","year":"2014","unstructured":"Smyth, A. 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