Summary of Study ST001365

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000933. The data can be accessed directly via it's Project DOI: 10.21228/M8398Z This work is supported by NIH grant, U2C- DK119886.


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Study IDST001365
Study TitleAntibiotics in Cystic Fibrosis Sputum
Study TypeClinical
Study SummaryDetection of 18 antibiotics in 171 cystic fibrosis sputum samples from the Phase 1 Clinical Study.
University of California, Irvine
Last NameGallagher
First NameTara
Address3315 McGaugh Hall, UC IRVINE, Irvine, CA, 92697, USA
Submit Date2020-04-23
Raw Data AvailableYes
Raw Data File Type(s)raw(Waters)
Analysis Type DetailLC-MS
Release Date2020-06-01
Release Version1
Tara Gallagher Tara Gallagher application/zip

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Combined analysis:

Analysis ID AN002272
Analysis type MS
Chromatography type Reversed phase
Chromatography system Waters Acquity I-Class
Column Waters Acquity BEH C18 (50 x 2.1mm,1.7um)
MS instrument type Triple quadrupole
MS instrument name Waters Quattro Premier XE
Units micromolar


MS ID:MS002116
Analysis ID:AN002272
Instrument Name:Waters Quattro Premier XE
Instrument Type:Triple quadrupole
MS Comments:The retention times (RT) and MS/MS parameters for reach antibiotic were determined using the QuanOpt function in the Waters Masslynx software. Peaks were automatically picked and filtered in QuanLynx. Downstream filtering was conducted in R. Data were imported into R and the following criteria for filtering were applied: minimum peak area under the curve of 20 and signal to noise ratio of 10. Because several of the antibiotics had high carry-over rates (including ciprofloxacin, levofloxacin, and trimethoprim), sample peaks were also filtered out when the AUC was lower than the wash ran directly before the sample. Scripts can be found at the following github link:
Capillary Voltage:3.3 kV
Collision Gas:Nitrogen
Source Temperature:125
Desolvation Gas Flow:800 L/h
Desolvation Temperature:400
Acquisition Parameters File:CF_antibiotics.exp
Analysis Protocol File:CF_antibiotics_quant.mdb