Selected ion flow tube MS - Online quantitative VOC analysis
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SIFT-MS accurately identifies and quantifies volatile compounds. The analysis occurs through a process of chemical ionization in a flow tube. To analyze volatile compounds, a sample is introduced into the flow tube at a precisely controlled rate. Inside the flow tube reagent ions react with volatile compounds present in the sample. This reaction forms product ions, which are analyzed by a quadrupole mass spectrometer and particle multiplier. The result is spectra, which instantly identify and quantify volatile compounds. Analysis is performed by a Voice Series instrument, which can be based in a laboratory, on a production line, or in a vehicle. Results can be automatically exported to other systems, such as production line controllers. We provide turnkey solutions, or you can create your own analysis suites and protocols, including how results are processed and presented.
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Selected ion flow tube MS - Online quantitative VOC analysis
- 1. Selected ion flow tube MS Online quantitative VOC analysis Dr. Joeri Vercammen Managing Expert IS-X www.is-x.com
- 2. “DIRECT MS TECHNIQUES” Ease-of-use Speed Price Sensitivity Separation power Identification of artefacts
- 3. DART-MS Ionization technique that uses metastable He* to ionize surface analyte molecules.
- 4. i-KNIFE Rapid evaporative ionization MS of phospholipids to discriminate between cancerous and non-cancerous cells.
- 5. MS-NOSE Direct injection of food headspace into a classic electron impact source. Strong ionization reduces sensitivity & identification capabilities. Ideal for rough characterization.
- 6. SIFT-MS Direct injection of food headspace into a room temperature SIFT flowtube. Soft chemical ionization preserves sensitivity and allows selective identification capabilities. Knowledge of reaction kinetics allows absolute quantification.
- 7. 1976 First SIFT instrument described by David Smith (UK). Study kinetics of ion/molecule reactions in interstellar clouds.
- 8. Low T k? Known signals & concentrations of I +, A and P+ are used to calculate reaction rates… I+ A P+
- 9. 1996 Trace analytical technique. Calculate concentrations from: Reaction schemes k-Values
- 10. 1997 2001
- 11. 2014 SIFT-MS detects & quantifies trace amounts of volatiles, Analysis in real time Volatile organics & inorganics Low PPB level sensitivity 725 875 900
- 12. How does it work? Precursor ions, generated in-situ H3O+, NO+, O2+, selected by Q1 Chemical ionisation, Flow tube Separation & detection of product ions by Q2
- 13. Chief characteristics SIFT-MS has several unique features, CI with multiple precursor ions results in unique selectivity Absolute quantification due to thermalized conditions Designed for ultra-sensitive applications
- 14. The possibility of three CI agents increases confidence, Acetone 59 88 43, 58 Mw 58 Propanal 59 57 57, 58 Mw 58 H3O+ NO+ O2 + Selectivity
- 15. Absolute quantification Analysis time & sample gas flowrate Reagent and product ion (absolute) signals Rate coefficient of the reaction 𝐴 = [𝑃+ ] 𝑘𝐷𝑓 𝑡 𝑟[𝐼+]
- 16. Ultra-sensitivity Detection limits in the sub PPB range. Inert flow path from sample to flow tube Zero blank levels No source contamination
- 17. Target compounds Compound Class Compound Class Alkanes Nitrogen heterocycles Alkenes and dienes Nitrated organics Alkynes and diynes Oximes Aromatic hydrocarbons Nitriles Terpines Halogenated alkanes and alkenes Alcohols and diols Halogenated aromatics Aldehydes and dialdehydes Miscellaneous halogenated organics Ketones Thiols Carboxylic acids Thioalcohols Esters Thioacids Ethers Thioethers Cellosolves Sulfur heterocycles Oxygen heterocycles Sulfoxides Epoxides Organophosphorus compounds Amines Inorganics Amides
- 18. Applications Common applications, Environmental analysis Clinical applications Food & flavour analysis
- 19. Control of raw materials Process control On-line analysis In-situ analysis Packaging control Food applications
- 20. CASE 1: CONTROL OF RAW MATERIALS
- 21. Aldehydes in malt “Aldehyde precursors determine the shelf-live of pilsener beers” Complex analytical procedure Tedious Not applicable on-site
- 23. Malt A-2 Malt B1-1 Malt B1-2 Malt B2-2 Malt B2-1 Malt B3-2 Malt B3-1 Malt C-1 Malt C-2 Malt A-1 hexanal 2-methylbutanal 3-methylbutanal methional 2-methylpropanal trans -2-nonenal benzaldehyde phenylacetaldehyde furfural Malt B1 Malt C Malt A hexanal 2-methylbutanal 3-methylbutanal methional furfural 2-methylpropanal trans -2-nonenal benzaldehyde phenylacetaldehyde Malt B2 Malt B3 GC-MS analysis SIFT-MS analysis Aldehydes in malt
- 24. “Identify premium quality and defective carcases” Meat aroma testing PC2 PC1 PC3 SOO 1-5 SOO 6-10 SOO 11-15 SOO 16-20 SOO 21-25 SOO 26-30 SOO 31-35 SOO 36-40 Rotten R4 R High pH R1R High pH R2 R High pH R3 R High pH R4R High pH R5 QM High pH R4 R Norm pH R1R Norm pH R2R Norm pH R3 R Norm pH R4 R Norm pH R5 Cow 1 R1Cow 1 R2 Cow 1 R3Cow 1 R4Cow 1 R5 Cow 2 R1Cow 2 R2Cow 2 R3 Cow 2 R4 Cow 2 R5 Bull 3 R1 Bull 3 R2 Bull 3 R3 Bull 3 R4 Bull 3 R5 Bull 4 R1Bull 4 R2 Bull 4 R3 Bull 4 R4 Bull 4 R5 Rotten R1 Rotten R2 Rotten R3 Rotten R5 QM High pH R1 QM High pH R2 QM High pH R3 QM High pH R5 PC1 PC2 PC3 R High pH R1 R High pH R3 R Norm pH R1 R Norm pH R2 R Norm pH R3 R Norm pH R4 Cow 1 R3 Cow 1 R4 Cow 1 R5 Cow 2 R1 Cow 2 R2 R High pH R2 R High pH R4 R High pH R5 R Norm pH R5 Cow 1 R1 Cow 1 R2 Cow 2 R3 Cow 2 R4 Cow 2 R5 Expanded, rotated view
- 26. “Coffee beans crack twice during roasting” Chemical and physical transformation 165°C (drying phase) 225°C (full city roast) Coffee bean roasting
- 30. “On-line monitoring of fermentation metabolites” Better control of industrial production Detect action of undesirable microorganisms Difficult by GC/MS Fermentation
- 32. Fermentation
- 34. “Warning system + product quality monitoring” Spray drying of dairy products Explosion risk monitored with CO monitor Frequent false alerts Milk powder drying
- 36. 0 50 100 150 200 250 0 500 1000 1500 2000 2500 0 2 4 6 8 10 12 14 16 18 Temperature/oC Concentration/ppb Time / minutes acetic acid acetaldehyde carbon monoxide oven temperature / C Skim Milk Powder Milk powder drying 80 90 100 110 120 130 140 150 160 170 180 190 6 9 13 16 0 50000 100000 150000 200000 250000 300000 350000 400000 Intensity/cps m / z Time / min. acetic acid dimethyl sulfone hexanoic acid furfuryl alcohol propanoic acid norfuraneol butanoic acid maltol furaneol pentanoic acid heptanoic acid octanoic acid nonanoic acid
- 38. “Determine the contribution of in-situ generated volatiles” Place product in mouth Chew: exhale & inhale Swallow: exhale & inhale In-mouth analysis
- 40. 0 50 100 150 200 0 20 40 60 80 Concentration(ppb) Time (sec) trans-2-Hexenal cis-3-Hexenal Hexanal Swallow In-mouth analysis
- 41. In-mouth analysis 0 5 10 15 20 25 0 10 20 30 40 50 60 70 80 90 Concentration(ppb) Time (min) Nonanal Isobutyl alcohol Methylbutanal Swallow
- 42. “Benchmark for product acceptability” Expensive Subject to fatigue Off-line process Sensory testing
- 45. “Malodourous contamination at the exterior from mixed transport” Chlorophenols Bromophenols Trichloroanisole Packaging contamination
- 47. Conclusion The Voice200 is a user-friendly instrument that allows rapid analysis of aroma components without preconcentration and discrimination. Simple, non-destructive analysis Analyze all polarities at once No artefacts A multisensor instrument with GC/MS functionality.