Robust Automated SIFT-MS Quantitation of Volatile Compounds in Air Using a Multicomponent Gas Standard

Langford, Vaughan S.; Dryahina, Kseniya; Španěl, Patrik

doi:10.1021/jasms.3c00312

Cited by 4 publications

(25 citation statements)

References 53 publications

(150 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The SIFT-MS instrument was operated under standard factory conditions (ion source pressure 0.7 mbar; carrier gas pressure in flow tube 0.8 mbar; flow-tube temperature 120 • C; static potential on flow tube, 25 V; sample flow rate approx. 25 standard cubic centimetres per minute (sccm)) [26].…”

Section: Sift-ms Analysismentioning

confidence: 99%

“…SIFT-MS analysis of NDMA has been described previously [19,26]. Reaction rate coefficients, k, are the primary indicator of the relative SIFT-MS sensitivity to different analytes.…”

Section: Sift-ms Analysismentioning

confidence: 99%

“…For nitrosamines, values of k are larger than most VOCs due to their high polarity [19], resulting in higher sensitivity. Specificity is achieved by utilizing multiple product ions per compound, which enables a cross-comparison of independent concentration measurements from the individual product ions [26]. Dimethyl formamide (DMF), which is quite widely used in the pharmaceutical industry [28] and a potential source of NDMA [10,29], is the most probable interferent with SIFT-MS analysis of NDMA via its 13 C isotopologue, but that this is readily corrected [26].…”

Section: Sift-ms Analysismentioning

confidence: 99%

Section: Sift-ms Analysismentioning

confidence: 99%

“…High levels of residual solvent may impact the calculation of concentrations in SIFT-MS due to excessive consumption of the reagent ions [20,26]. High concentrations are evident in the non-linear headspace responses to drug product mass for H 3 O + and O 2 +• -a phenomenon that needs to be understood and mitigated in method development [26]. Here, the NO + reagent ion is often more robust to this effect than are H 3 O + and O 2 +• due to it being somewhat less sensitive to very common solvents such as ethanol or isopropyl alcohol (based on their relative reaction rate coefficients).…”

Section: Sift-ms Analysismentioning

confidence: 99%

See 4 more Smart Citations

Quantitative Analysis of NDMA in Drug Products: A Proposed High-Throughput Approach Using Headspace–SIFT-MS

Perkins,

Hastie,

Langford

2024

AppliedChem

Self Cite

View full text Add to dashboard Cite

Since the initial 2018 recall of angiotensin receptor blockers due to unacceptable levels of mutagenic N-nitrosodimethylamine (NDMA) impurity, numerous drug products delivering diverse active pharmaceutical ingredients (APIs) have been recalled. Regulators and the industry are working together to understand and address this widescale problem. Conventional analysis of NDMA utilizes liquid or gas chromatography-based procedures that can involve complicated sample preparation and slow sample analysis. Selected ion flow tube mass spectrometry (SIFT-MS) analyses NDMA directly in the gas phase using soft chemical ionization, with an LOQ of 2 ng g−1. Through the novel application of the multiple headspace extraction (MHE) technique, NDMA was quantified directly and rapidly from the drug product without dissolution, at levels well below the regulatory acceptable intake of 96 ng day−1. A comparative analysis of recalled metformin using MHE-SIFT-MS and a conventional liquid chromatography–mass spectrometry/mass spectrometry (LC-MS/MS) method showed good agreement. Use of the novel MHE-SIFT-MS approach may enable a wider screening of drug products to be conducted, since it provides around a three-fold increase in daily sample throughput.

show abstract

Section: Sift-ms Analysismentioning

confidence: 99%

“…SIFT-MS analysis of NDMA has been described previously [19,26]. Reaction rate coefficients, k, are the primary indicator of the relative SIFT-MS sensitivity to different analytes.…”

Section: Sift-ms Analysismentioning

confidence: 99%

Section: Sift-ms Analysismentioning

confidence: 99%

Section: Sift-ms Analysismentioning

confidence: 99%

Section: Sift-ms Analysismentioning

confidence: 99%

See 3 more Smart Citations

Quantitative Analysis of NDMA in Drug Products: A Proposed High-Throughput Approach Using Headspace–SIFT-MS

Perkins,

Hastie,

Langford

2024

AppliedChem

Self Cite

View full text Add to dashboard Cite

show abstract

In ovo sexing of chickens: Evaluating volatile organic compounds analysis techniques and daily prediction performance from the onset of incubation

Corion,

Portillo-Estrada,

Monteiro Belo dos Santos

et al. 2024

Biosystems Engineering

View full text Add to dashboard Cite

Determining the Outgassing Kinetics of a Cryo-Milled Polymer Using Temperature-Programmed Desorption SIFT-MS

Gordon,

Iyer,

Baron

et al. 2024

ACS EST Air

View full text Add to dashboard Cite

We perform temperature-programmed desorption (TPD) directly on cryo-milled polymeric samples with selected ion flow tube mass spectrometry, SIFT-MS, to measure outgassing kinetics and the onset of thermal decomposition. Specifically, we monitored siloxane outgassing from the silicone elastomer encapsulant Sylgard 184. The TPD spectra reveal a rich and complex VOC emission landscape up to the point of thermal decomposition. We performed experiments at multiple ramp rates and successfully applied Kissinger analysis to all observed emission peaks, which indicated activation energies in the range of 30−55 kJ/mol and exponential prefactors of 10 2 −10 5 s −1 . Finally, we relate reagent ion depletion in the SIFT-MS and total mass loss from thermogravimetric analysis (TGA) and find that the two techniques agree well on the onset of thermal decomposition, which was found to be approximately 250 °C. This novel application of TPD-SIFT-MS to obtain emission kinetics could prove useful in indoor air quality studies, where understanding the rate of VOC emission is crucial for model development.

show abstract

Robust Automated SIFT-MS Quantitation of Volatile Compounds in Air Using a Multicomponent Gas Standard

Cited by 4 publications

References 53 publications

Quantitative Analysis of NDMA in Drug Products: A Proposed High-Throughput Approach Using Headspace–SIFT-MS

Quantitative Analysis of NDMA in Drug Products: A Proposed High-Throughput Approach Using Headspace–SIFT-MS

In ovo sexing of chickens: Evaluating volatile organic compounds analysis techniques and daily prediction performance from the onset of incubation

Determining the Outgassing Kinetics of a Cryo-Milled Polymer Using Temperature-Programmed Desorption SIFT-MS

Contact Info

Product

Resources

About