#METABOLOMICS WORKBENCH ehiggins_20221217_122538 DATATRACK_ID:3656 STUDY_ID:ST002449 ANALYSIS_ID:AN003997 PROJECT_ID:PR001064 VERSION 1 CREATED_ON January 20, 2023, 11:24 am #PROJECT PR:PROJECT_TITLE Volatile Biomarkers for a Valley Fever Breath Test PR:PROJECT_TYPE GCxGC-TOFMS metabolomics PR:PROJECT_SUMMARY Coccidioidomycosis, or valley fever, is prevalent in AZ, with more than 12,000 PR:PROJECT_SUMMARY new human infections diagnosed every year. In highly endemic areas, e.g., PR:PROJECT_SUMMARY Phoenix and Tucson, up to 30% of community-acquired pneumonia may be caused by PR:PROJECT_SUMMARY Valley fever, and cases are on the rise. The current diagnostics for Valley PR:PROJECT_SUMMARY fever are severely lacking due to invasiveness (biopsy) and poor sensitivity PR:PROJECT_SUMMARY (serology), strongly contributing to an unacceptable 23-day median PR:PROJECT_SUMMARY time-to-diagnosis. There is a critical need for sensitive and non-invasive PR:PROJECT_SUMMARY diagnostics for identifying Valley fever lung infections. Our long-term goal is PR:PROJECT_SUMMARY to substantially shorten the time-to-diagnosis for Valley fever through the PR:PROJECT_SUMMARY development of sensitive and specific breath-based diagnostics for PR:PROJECT_SUMMARY coccidioidomycosis lung infections. The overall objective of this application is PR:PROJECT_SUMMARY to identify and validate putative volatile biomarkers of Coccidioides infections PR:PROJECT_SUMMARY via metabolomics analyses of in vitro cultures, mouse model lung infections, and PR:PROJECT_SUMMARY lung specimens from humans with Valley fever. At the completion of the proposed PR:PROJECT_SUMMARY study, we expect to have identified and validated a panel of 10-15 volatile PR:PROJECT_SUMMARY biomarkers for the sensitive and specific detection of valley fever in lung PR:PROJECT_SUMMARY specimens. PR:INSTITUTE Arizona State University PR:DEPARTMENT School of Life Sciences PR:LABORATORY Bean Laboratory PR:LAST_NAME Bean PR:FIRST_NAME Heather PR:ADDRESS PO Box 874501, Tempe, AZ, 85287, USA PR:EMAIL Heather.D.Bean@asu.edu PR:PHONE 480-727-3395 PR:FUNDING_SOURCE Arizona Biomedical Research Centre New Investigator Award to HDB PR:PROJECT_COMMENTS Add to Project ID: PR001064 #STUDY ST:STUDY_TITLE Identify putative volatile biomarkers of Valley fever using a murine lung ST:STUDY_TITLE infection model (Human studies) ST:STUDY_SUMMARY Coccidioides immitis and Coccidioides posadasii are soil-dwelling fungi of arid ST:STUDY_SUMMARY regions in North and South America that are responsible for Valley fever ST:STUDY_SUMMARY (coccidioidomycosis). Forty percent of patients with Valley fever exhibit ST:STUDY_SUMMARY symptoms ranging from mild, self-limiting respiratory infections, to severe, ST:STUDY_SUMMARY life-threatening pneumonia that requires treatment. Misdiagnosis as bacterial ST:STUDY_SUMMARY pneumonia commonly occurs in symptomatic Valley fever cases, resulting in ST:STUDY_SUMMARY inappropriate treatment with antibiotics, increased medical costs, and delay in ST:STUDY_SUMMARY diagnosis. In this study, we explored the feasibility of developing breath-based ST:STUDY_SUMMARY diagnostics for Valley fever using lung specimens from persons with ST:STUDY_SUMMARY community-acquired pneumonia (CAP). To investigate potential volatile biomarkers ST:STUDY_SUMMARY of Valley fever that arise from host-pathogen interactions, we collected ST:STUDY_SUMMARY bronchoalveolar lavage fluid (BALF) and sputum from patients treated at Mayo ST:STUDY_SUMMARY Clinic in Scottsdale, Arizona for untargeted volatile metabolomics via solid ST:STUDY_SUMMARY phase microextraction (SPME) and two-dimensional gas chromatography coupled to ST:STUDY_SUMMARY time-of-flight mass spectrometry (GC×GC-TOFMS). We identified 244 total ST:STUDY_SUMMARY volatile organic compounds (VOCs). Using Random Forest, we identified a subset ST:STUDY_SUMMARY of these VOCs that were also able to separate Coccidioides positive samples from ST:STUDY_SUMMARY bacteria positive samples. The data presented here show that Coccidioides and/or ST:STUDY_SUMMARY the host produce volatile metabolites that may yield biomarkers for a Valley ST:STUDY_SUMMARY fever breath test that can detect Coccidioidal infection. ST:INSTITUTE Arizona State University ST:DEPARTMENT School of Life Sciences ST:LABORATORY Bean Laboratory ST:LAST_NAME Bean ST:FIRST_NAME Heather ST:ADDRESS PO Box 874501 ST:EMAIL Heather.D.Bean@asu.edu ST:STUDY_TYPE Untargeted metabolomics ST:PHONE 4807273395 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Blank_1 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_1.SMP SUBJECT_SAMPLE_FACTORS - Blank_2 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_2.SMP SUBJECT_SAMPLE_FACTORS - Blank_3 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_3.SMP SUBJECT_SAMPLE_FACTORS - Blank_4 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_4.SMP SUBJECT_SAMPLE_FACTORS - Blank_5 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_5.SMP SUBJECT_SAMPLE_FACTORS - Blank_6 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_6.SMP SUBJECT_SAMPLE_FACTORS - Blank_7 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_7.SMP SUBJECT_SAMPLE_FACTORS - Blank_8 Subject:Empty run | treatment:NA RAW_FILE_NAME=Blank_8.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-100A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-100A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-100B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-100B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-100C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-100C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-102A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-102A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-102B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-102B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-102C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-102C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-108A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-108A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-108B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-108B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-108C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-108C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-109A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-109A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-109B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-109B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-109C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-109C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-10A_1 Subject:Human BALF | treatment:Multi; Cocci+ NTM + bacterial RAW_FILE_NAME=MNBAL-10A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-10B_1 Subject:Human BALF | treatment:Multi; Cocci+ NTM + bacterial RAW_FILE_NAME=MNBAL-10B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-10C_1 Subject:Human BALF | treatment:Multi; Cocci+ NTM + bacterial RAW_FILE_NAME=MNBAL-10C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-111A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-111A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-111B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-111B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-111C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-111C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-115A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-115A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-115B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-115B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-115C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-115C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-116A_1 Subject:Human BALF | treatment:Multi; Fungal + NTM RAW_FILE_NAME=MNBAL-116A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-116B_1 Subject:Human BALF | treatment:Multi; Fungal + NTM RAW_FILE_NAME=MNBAL-116B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-116C_1 Subject:Human BALF | treatment:Multi; Fungal + NTM RAW_FILE_NAME=MNBAL-116C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-119A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-119A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-119B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-119B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-119C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-119C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-120A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-120A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-120B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-120B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-120C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-120C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-129A_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-129A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-129B_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-129B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-129C_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-129C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-131A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-131A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-131B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-131B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-131C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-131C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-132A_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-132A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-132B_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-132B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-132C_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-132C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-136A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-136A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-136B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-136B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-136C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-136C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-14A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-14A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-14B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-14B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-14C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-14C_1.SMP SUBJECT_SAMPLE_FACTORS - 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MNBAL-161A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-161A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-161B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-161B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-161C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-161C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-164A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-164A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-164B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-164B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-164C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-164C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-165A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-165A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-165B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-165B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-165C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-165C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-166A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-166A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-166B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-166B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-166C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-166C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-16A_1 Subject:Human BALF | treatment:Multi; Bacterial + viral RAW_FILE_NAME=MNBAL-16A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-16B_1 Subject:Human BALF | treatment:Multi; Bacterial + viral RAW_FILE_NAME=MNBAL-16B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-16C_1 Subject:Human BALF | treatment:Multi; Bacterial + viral RAW_FILE_NAME=MNBAL-16C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-17A_1 Subject:Human BALF | treatment:Fungal RAW_FILE_NAME=MNBAL-17A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-17B_1 Subject:Human BALF | treatment:Fungal RAW_FILE_NAME=MNBAL-17B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-17C_1 Subject:Human BALF | treatment:Fungal RAW_FILE_NAME=MNBAL-17C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-188A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-188A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-188B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-188B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-188C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-188C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-192A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-192A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-192B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-192B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-192C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-192C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-193A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-193A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-193B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-193B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-193C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-193C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-198A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-198A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-198B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-198B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-198C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-198C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-208A_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-208A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-208B_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-208B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-208C_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-208C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-212A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-212A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-212B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-212B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-212C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-212C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-223A_1 Subject:Human BALF | treatment:Z; Unknown RAW_FILE_NAME=MNBAL-223A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-223B_1 Subject:Human BALF | treatment:Z; Unknown RAW_FILE_NAME=MNBAL-223B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-28A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-28A_1.SMP SUBJECT_SAMPLE_FACTORS - 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MNBAL-39C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-39C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-3A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-3A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-3B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-3B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-3C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-3C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-41A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-41A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-41B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-41B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-41C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-41C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-49A_1 Subject:Human BALF | treatment:Multi; Cocci + bacterial RAW_FILE_NAME=MNBAL-49A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-49B_1 Subject:Human BALF | treatment:Multi; Cocci + bacterial RAW_FILE_NAME=MNBAL-49B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-49C_1 Subject:Human BALF | treatment:Multi; Cocci + bacterial RAW_FILE_NAME=MNBAL-49C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-51A_1 Subject:Human BALF | treatment:Multi; Viral + Fungal + Bacterial RAW_FILE_NAME=MNBAL-51A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-51B_1 Subject:Human BALF | treatment:Multi; Viral + Fungal + Bacterial RAW_FILE_NAME=MNBAL-51B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-51C_1 Subject:Human BALF | treatment:Multi; Viral + Fungal + Bacterial RAW_FILE_NAME=MNBAL-51C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-53A_1 Subject:Human BALF | treatment:Multi; Bacterial + Viral + Fungal RAW_FILE_NAME=MNBAL-53A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-53B_1 Subject:Human BALF | treatment:Multi; Bacterial + Viral + Fungal RAW_FILE_NAME=MNBAL-53B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-5A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-5A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-5B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-5B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-61A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-61A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-61B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-61B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-67A_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-67A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-67B_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-67B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-67C_1 Subject:Human BALF | treatment:Viral RAW_FILE_NAME=MNBAL-67C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-71A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-71A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-71B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-71B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-71C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-71C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-72A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-72A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-72B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-72B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-73A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-73A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-73B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-73B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-73C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-73C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-74A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-74A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-74B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-74B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-74C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-74C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-75A_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-75A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-75B_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-75B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-75C_1 Subject:Human BALF | treatment:Cocci RAW_FILE_NAME=MNBAL-75C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-76A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-76A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-76B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-76B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-76C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-76C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-77A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-77A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-77B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-77B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-77C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-77C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-82A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-82A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-82B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-82B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-82C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-82C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-83A_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-83A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-83B_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-83B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-83C_1 Subject:Human BALF | treatment:Negative RAW_FILE_NAME=MNBAL-83C_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-97A_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-97A_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-97B_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-97B_1.SMP SUBJECT_SAMPLE_FACTORS - MNBAL-97C_1 Subject:Human BALF | treatment:Bacterial RAW_FILE_NAME=MNBAL-97C_1.SMP SUBJECT_SAMPLE_FACTORS - Pooled-1_1 Subject:Pooled BALF | treatment:Pooled RAW_FILE_NAME=Pooled-1_1.SMP SUBJECT_SAMPLE_FACTORS - Pooled-2_1 Subject:Pooled BALF | treatment:Pooled RAW_FILE_NAME=Pooled-2_1.SMP SUBJECT_SAMPLE_FACTORS - Pooled-3_1 Subject:Pooled BALF | treatment:Pooled RAW_FILE_NAME=Pooled-3_1.SMP SUBJECT_SAMPLE_FACTORS - Pooled-4_1 Subject:Pooled BALF | treatment:Pooled RAW_FILE_NAME=Pooled-4_1.SMP SUBJECT_SAMPLE_FACTORS - Pooled-5_1 Subject:Pooled BALF | treatment:Pooled RAW_FILE_NAME=Pooled-5_1.SMP SUBJECT_SAMPLE_FACTORS - R721A_1 Subject:Human Bronchial Wash | treatment:Fungal RAW_FILE_NAME=R721A_1.SMP SUBJECT_SAMPLE_FACTORS - R721B_1 Subject:Human Bronchial Wash | treatment:Fungal RAW_FILE_NAME=R721B_1.SMP SUBJECT_SAMPLE_FACTORS - R721C_1 Subject:Human Bronchial Wash | treatment:Fungal RAW_FILE_NAME=R721C_1.SMP SUBJECT_SAMPLE_FACTORS - R744A_1 Subject:Human Bronchial Wash | treatment:Cocci RAW_FILE_NAME=R744A_1.SMP SUBJECT_SAMPLE_FACTORS - R744B_1 Subject:Human Bronchial Wash | treatment:Cocci RAW_FILE_NAME=R744B_1.SMP SUBJECT_SAMPLE_FACTORS - R814aA_2xprep_1 Subject:Human Sputum (tracheal secretions) | treatment:Bacterial + Viral RAW_FILE_NAME=R814aA_2xprep_1.SMP SUBJECT_SAMPLE_FACTORS - R814aB_1 Subject:Human Sputum (tracheal secretions) | treatment:Bacterial + Viral RAW_FILE_NAME=R814aB_1.SMP SUBJECT_SAMPLE_FACTORS - R814aC_1 Subject:Human Sputum (tracheal secretions) | treatment:Bacterial + Viral RAW_FILE_NAME=R814aC_1.SMP SUBJECT_SAMPLE_FACTORS - R815aA_1 Subject:Human Sputum (tracheal secretions) | treatment:Cocci RAW_FILE_NAME=R815aA_1.SMP SUBJECT_SAMPLE_FACTORS - R815aB_1 Subject:Human Sputum (tracheal secretions) | treatment:Cocci RAW_FILE_NAME=R815aB_1.SMP SUBJECT_SAMPLE_FACTORS - R815bA_1 Subject:Human Bronchial Wash | treatment:Multi; Viral + bacterial (maybe cocci) RAW_FILE_NAME=R815bA_1.SMP SUBJECT_SAMPLE_FACTORS - R815bB_1 Subject:Human Bronchial Wash | treatment:Multi; Viral + bacterial (maybe cocci) RAW_FILE_NAME=R815bB_1.SMP SUBJECT_SAMPLE_FACTORS - R815bC_1 Subject:Human Bronchial Wash | treatment:Multi; Viral + bacterial (maybe cocci) RAW_FILE_NAME=R815bC_1.SMP SUBJECT_SAMPLE_FACTORS - R816aA_1 Subject:Human Sputum | treatment:Cocci RAW_FILE_NAME=R816aA_1.SMP SUBJECT_SAMPLE_FACTORS - R816aB_1 Subject:Human Sputum | treatment:Cocci RAW_FILE_NAME=R816aB_1.SMP SUBJECT_SAMPLE_FACTORS - R820aA_1 Subject:Human Sputum (induced) | treatment:Cocci RAW_FILE_NAME=R820aA_1.SMP SUBJECT_SAMPLE_FACTORS - R820aB_1 Subject:Human Sputum (induced) | treatment:Cocci RAW_FILE_NAME=R820aB_1.SMP SUBJECT_SAMPLE_FACTORS - R823aA_1 Subject:Human Bronchial Wash | treatment:Cocci RAW_FILE_NAME=R823aA_1.SMP SUBJECT_SAMPLE_FACTORS - R823aB_1 Subject:Human Bronchial Wash | treatment:Cocci RAW_FILE_NAME=R823aB_1.SMP SUBJECT_SAMPLE_FACTORS - R823aC_1 Subject:Human Bronchial Wash | treatment:Cocci RAW_FILE_NAME=R823aC_1.SMP SUBJECT_SAMPLE_FACTORS - R824aA_1 Subject:Human Sputum (induced) | treatment:Cocci RAW_FILE_NAME=R824aA_1.SMP SUBJECT_SAMPLE_FACTORS - R824aB_1 Subject:Human Sputum (induced) | treatment:Cocci RAW_FILE_NAME=R824aB_1.SMP SUBJECT_SAMPLE_FACTORS - Standard mix_1 Subject:Alkane Standard and Grob Mix | treatment:Standard Mix RAW_FILE_NAME=Standard mix_1.SMP SUBJECT_SAMPLE_FACTORS - Standard_1 Subject:Alkane Standard and Grob Mix | treatment:Standard Mix RAW_FILE_NAME=Standard_1.SMP SUBJECT_SAMPLE_FACTORS - Standard_mix_1 Subject:Alkane Standard and Grob Mix | treatment:Standard Mix RAW_FILE_NAME=Standard_mix_1.SMP SUBJECT_SAMPLE_FACTORS - Standard_mix_2 Subject:Alkane Standard and Grob Mix | treatment:Standard Mix RAW_FILE_NAME=Standard_mix_2.SMP SUBJECT_SAMPLE_FACTORS - Standard_mix_3 Subject:Alkane Standard and Grob Mix | treatment:Standard Mix RAW_FILE_NAME=Standard_mix_3.SMP #COLLECTION CO:COLLECTION_SUMMARY Human lung specimens were collected and stored in -80'C at Mayo Clinic in CO:COLLECTION_SUMMARY Scottsdale, Arizona until they were transferred to Arizona State University for CO:COLLECTION_SUMMARY VOCs analysis CO:SAMPLE_TYPE Bronchoalveolar lavage #TREATMENT TR:TREATMENT_SUMMARY 55 bronchoalveolar lavage fluid (BALF), four bronchial wash, and five sputum TR:TREATMENT_SUMMARY samples were provided by Tom Gris at Mayo Clinic, Scottsdale, Arizona. Patient TR:TREATMENT_SUMMARY samples were categorized by infecting microbial organisms; Coccidioides, fungal, TR:TREATMENT_SUMMARY bacterial, viral, multiple, and, non-infectious using hospital codes and doctors TR:TREATMENT_SUMMARY notes. A sample was considered Coccidioides positive if it had a positive TR:TREATMENT_SUMMARY serology test or was confirmed by culture. Fungal samples were either TR:TREATMENT_SUMMARY Coccidioides positive or had a positive fungal culture or fungal smear. TR:TREATMENT_SUMMARY Bacterial samples were identified by gram stain, bacterial culture, or PCR. TR:TREATMENT_SUMMARY Samples were considered viral positive by PCR. If a sample was considered TR:TREATMENT_SUMMARY positive for more than one type of infectious organism (ex, bacterial positive TR:TREATMENT_SUMMARY and viral positive) it was labeled multiple. Samples that did not fit into an TR:TREATMENT_SUMMARY infectious category, as described, they were labeled non-infectious. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The BALF samples were allowed to thaw at 4°C overnight, and then split into SP:SAMPLEPREP_SUMMARY technical triplicates of 200 μL that were transferred and sealed into SP:SAMPLEPREP_SUMMARY sterilized 2 mL GC headspace vials with Supelco® PTFE/silicone septum magnetic SP:SAMPLEPREP_SUMMARY screw caps (Sigma-Aldrich®, St. Louis, MO). All samples were stored in GC SP:SAMPLEPREP_SUMMARY headspace vials for up to 14 d at -20°C until analyzed. Samples were randomized SP:SAMPLEPREP_SUMMARY for analysis. Volatile metabolites sampling was performed by solid phase SP:SAMPLEPREP_SUMMARY microextraction (SPME) using a Gerstel® MPS Robotic Pro MultiPurpose SP:SAMPLEPREP_SUMMARY autosampler directed by Maestro® software (Gerstel®, Inc., Linthicum, MD). SP:SAMPLEPREP_SUMMARY Volatile metabolite analysis was performed by two-dimensional gas SP:SAMPLEPREP_SUMMARY chromatography−time-of-flight mass spectrometry (GC×GC–TOFMS) using a SP:SAMPLEPREP_SUMMARY LECO® Pegasus® 4D and Agilent® 7890B GC (LECO® Corp., St. Joseph, MI). An SP:SAMPLEPREP_SUMMARY external alkane standards mixture (C8 – C20; Sigma-Aldrich®) was sampled SP:SAMPLEPREP_SUMMARY multiple times for calculating retention indices (RI). The injection, SP:SAMPLEPREP_SUMMARY chromatographic, and mass spectrometric methods for analyzing the alkane SP:SAMPLEPREP_SUMMARY standards were the same as for the samples. SP:EXTRACTION_METHOD Solid-phase microextraction (SPME) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GCxGC CH:INSTRUMENT_NAME Agilent 7890B CH:COLUMN_NAME Column 1: Rxi-624Sil MS, (60m × 0.25mm × 1.4um); Column 2: Stabilwax, (1m × CH:COLUMN_NAME 0.25mm × 0.5um) CH:SOLVENT_A NA CH:SOLVENT_B NA CH:FLOW_GRADIENT NA CH:FLOW_RATE 2 mL∙min-1 (constant) CH:COLUMN_TEMPERATURE 230 CH:METHODS_FILENAME VF_human_GCxGC_methods.docx #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE VF_human_MS_methods.docx #MS MS:INSTRUMENT_NAME Leco Pegasus 4D GCxGC TOF MS:INSTRUMENT_TYPE GC x GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS See attached protocol MS:MS_RESULTS_FILE ST002449_AN003997_Results.txt UNITS:Peak areas Has m/z:No Has RT:Yes RT units:Seconds #END