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Investigations into the performance of travelling wave enabled conventional and cyclic ion mobility systems to characterise protomers of fluoroquinolone antibiotic residues
Author(s) -
McCullagh Michael,
Giles Kevin,
Richardson Keith,
Stead Sara,
Palmer Martin
Publication year - 2019
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.8371
Subject(s) - chemistry , analytical chemistry (journal) , chromatography , traveling wave , ion mobility spectrometry , high resolution , electrospray ionization , fragmentation (computing) , mass spectrometry , remote sensing , mathematical analysis , mathematics , computer science , geology , operating system
Rationale Fluoroquinolones (FLQs) have been shown to form protomers with distinctive fragment profiles. Experimental parameters affect protomer formation, impacting observed conventional tandem mass spectrometric (MS/MS) dissociation and multiple reaction monitoring (MRM) transition reproducibility. Collision cross section (CCS) measurement can provide an additional identification metric and improved ion mobility (IM) separation strategies could provide further understanding of fluctuations in fragmentation when using electrospray ionisation (ESI). Methods Porcine muscle tissue was fortified with nine fluoroquinolone antibiotics. Extracts were cleaned using QuEChERS dispersive extraction. Separation was achieved via ultra‐high‐performance liquid chromatography (UHPLC) and analysis performed using positive ion ESI coupled with linear T‐wave IM (N 2 and CO 2 drift gas) and cyclic IM‐MS (calibrated to perform accurate mass and CCS measurement). Results IM‐resolved protomeric species have been observed for nine FLQs (uniquely three for danofloxacin). Long‐term reproducibility and cross‐platform T‐wave/cIM studies have demonstrated CCS metric errors <1.5% when compared with a FLQ protomer reference CCS library. When comparing FLQ protomer separation using a standard, linear T‐wave IM separator (N 2 /CO 2 ) and using a high‐resolution cyclic T‐wave device (N 2 ), protomer peak‐to‐peak resolution ranged between Rs = 1 to Rs = 6 for the IM strategies utilised. Conclusions CCS is a reliable cross platform metric; specific FLQ CCS identification fingerprints have been produced, illustrating the potential to compliment MS/MS specificity or provide an alternative identification metric. Using cIM there is opportunity to correlate the erratic nature of protomer formation with the analytical conditions used and to gain further understanding of ionisation/dissociation mechanisms taking place during routine analyses.