Analysis of isomeric opioids in urine using LC-TIMS-TOF MS

Adams, Kendra J.; Ramírez, César E.; Smith, Natalie F.; Muñoz-Muñoz, Ana Celia; Andrade, Lawrence; Fernandez-Lima, Francisco

doi:10.1016/j.talanta.2018.02.077

Cited by 42 publications

(40 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Diluted human urine spiked with estradiol glucuronides, E 2 β‐3G and E 2 β‐17G, was first analyzed in negative ion mode using both detect and ultra modes (see Figure 3). The ion mobility spectra extracted for the [M − H] − ions are reported in Figure 3B, showing a good ion mobility separation of the deprotonated estradiol glucuronide isomers with ΔCCS% = 1.7% which is similar to the separation obtained in a standard solution with ∆CCS% = 1.6% (see Figure 1D); this indicates that there are no matrix effects on the ion mobility separation 14,20 . IM‐MS seems to be a very sensitive technique, and a well‐resolved ion mobility spectrum could be obtained for low‐abundance species in a complex mass spectrum (relative peak intensity of about 10%) (see Figure 3A), demonstrating the ability of the TIMS‐TOF instrument to separate isomers even in complex matrices (see Figure 3B).…”

Section: Resultssupporting

confidence: 52%

“…Again, the ion mobility separation does not appear to be altered by such a complex environment with CCS differences similar to those obtained in the solvent (see above): ΔCCS urine % = 0.8% for estradiols, E 2 α and E 2 β (see Figure 4A), and ΔCCS urine % = 1.0% for methoxyestradiols, 2‐MeO‐E 2 β and 4‐MeO‐E 2 β (see Figure 4B). Hernández‐Mesa et al 20 as well as Adams et al 14 also reported very small variations in CCS values measured in the LC/IM‐MS analysis of compounds in urine. Similarly, we evaluated the shifts in TIMS CCS N2 values obtained for the estrogen standards analyzed alone and for those spiked in urine; the measured differences (ΔCCS%) varied from 0.3 to 1.0% showing the robustness of IM‐MS.…”

Section: Resultsmentioning

confidence: 96%

“…In particular, the TIMS device is the only instrument that allows the operator to tune the resolving power (see section 2) to reach high mobility resolution, up to 350 11,12 . TIMS‐TOF (Time‐Of‐Flight) mass spectrometry has been used to characterize different chemical classes including lipids, 11 peptides, carbohydrates, polybrominated diphenyl ethers (PBDEs), 12 polycyclic aromatic hydrocarbons (PAHs), 13 or opioids 14 . Other types of ion mobility design such as Structures for Lossless Ion Manipulations 15 or Cyclic Ion Mobility 16 have been developed more recently, offering higher separation capacities, for example, in the distinction of pentasaccharide conformations but also of their anomers, which cannot be easily achieved with other IM‐MS platforms 17,18 .…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

An emerging powerful technique for distinguishing isomers: Trapped ion mobility spectrometry time‐of‐flight mass spectrometry for rapid characterization of estrogen isomers

Delvaux

Rathahao‐Paris

Alvès

2020

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

Rationale Isomer metabolites are involved in metabolic pathways, and their characterization is essential but remains challenging even using high‐performance analytical platforms. The addition of ion mobility prior to mass analysis can help to separate isomers. Here, the ability of a recently developed trapped ion mobility spectrometry system to separate metabolite isomers was examined. Methods Three pairs of estrogen isomers were studied as a model of isomeric metabolites under both negative and positive electrospray ionization (ESI) modes using a commercial trapped ion mobility spectrometry‐TOF mass spectrometer. The standard metabolites were also spiked into human urine to evaluate the efficiency of trapped ion mobility spectrometry to separate isomers in complex mixtures. Results The estradiol glucuronide isomers (E2β‐3G and E2β‐17G) could be distinguished as deprotonated species, while the estradiol epimers (E2β and E2α) and the methoxyestradiol isomers (2‐MeO‐E2β and 4‐MeO‐E2β) were separated as lithiated adducts in positive ionization mode. When performing analyses in the urine matrix, no alteration in the ion mobility resolving power was observed and the measured collision cross section (CCS) values varied by less than 1.0%. Conclusions The trapped ion mobility spectrometry‐TOF mass spectrometer enabled the separation of the metabolite isomers with very small differences in CCS values (ΔCCS% = 2%). It is shown to be an effective tool for the rapid characterization of isomers in complex matrices.

show abstract

Section: Resultssupporting

confidence: 52%

Section: Resultsmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

An emerging powerful technique for distinguishing isomers: Trapped ion mobility spectrometry time‐of‐flight mass spectrometry for rapid characterization of estrogen isomers

Delvaux

Rathahao‐Paris

Alvès

2020

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

show abstract

“…Not only is ion mobility capable of separating discrete analyte classes, but it is often used to distinguish both isobaric [35][36][37] and isomeric [38][39][40] species.…”

Section: Introductionmentioning

confidence: 99%

Integrating ion mobility and imaging mass spectrometry for comprehensive analysis of biological tissues: A brief review and perspective

et al. 2020

View full text Add to dashboard Cite

Imaging mass spectrometry (IMS) technologies are capable of mapping a wide array of biomolecules in diverse cellular and tissue environments. IMS has emerged as an essential tool for providing spatially targeted molecular information due to its high sensitivity, wide molecular coverage, and chemical specificity. One of the major challenges for mapping the complex cellular milieu is the presence of many isomers and isobars in these samples. This challenge is traditionally addressed using orthogonal liquid chromatography (LC)-based analysis, though, common approaches such as chromatography and electrophoresis are not able to be performed at timescales that are compatible with most imaging applications. Ion mobility offers rapid, gas-phase separations that are readily integrated with IMS workflows in order to provide additional data dimensionality that can improve signal-to-noise, dynamic range, and specificity. Here, we highlight recent examples of ion mobility coupled to IMS and highlight their importance to the field.

show abstract

“…[87][88][89][90] Particularly noteworthy is the ability of the TIMS-MS device to produce high resolution (>300) mobility profiles, operate at or near the low field limit ( ⁄ ≈ 45 Td), and perform duty cycle free. 23,92,93 Figure 1.5. In a TIMS device a drift gas pushes the ions deeper into the cell, larger ions undergo more collisions and travel further.…”

Section: Trapped Ion Mobility Spectrometry (Tims)mentioning

confidence: 99%

Interrogation of Ion-Neutral Complexes by Trapped Ion Mobility-Mass Spectrometry and Theoretical Calculations

Coe¹,

Alan²

View full text Add to dashboard Cite

This work is dedicated to the Most High God for His Love, Wisdom, and Grace. I also dedicate this to my parents, my family, and friends for all their love and support. I dedicate this to all my mentors, teachers, and professors that pushed and believed in me even when I did not. To my niece Zoë and my unborn children I pray you put God first ad know that all things are possible through Him. DEDICATION v ACKNOWLEDGMENTS I would like to acknowledge Dr. Francisco Fernandez-Lima who welcomed me in his lab and advocating for me to be accepted into the PhD program. I would also like to acknowledge Dr. Lima for introducing me to the scientific community outside of FIU. To my Lima Lab family from the past and present thanks for all the support and good times I treasure each of you and hope that we will never grow apart. To my McKnight Fellows thank you for the support and inspiration.

show abstract

Analysis of isomeric opioids in urine using LC-TIMS-TOF MS

Cited by 42 publications

References 41 publications

An emerging powerful technique for distinguishing isomers: Trapped ion mobility spectrometry time‐of‐flight mass spectrometry for rapid characterization of estrogen isomers

An emerging powerful technique for distinguishing isomers: Trapped ion mobility spectrometry time‐of‐flight mass spectrometry for rapid characterization of estrogen isomers

Integrating ion mobility and imaging mass spectrometry for comprehensive analysis of biological tissues: A brief review and perspective

Interrogation of Ion-Neutral Complexes by Trapped Ion Mobility-Mass Spectrometry and Theoretical Calculations

Contact Info

Product

Resources

About