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Overview

Real-Time Flavor Analysis using SIFT-MS

Customer Case Studies

Syft Food and Flavor Solutions

Extra: Technical Overview of SIFT-MS

Real-time Flavor Analysisusing

Selected Ion Flow Tube Mass Spectrometry

SIFT-MS technology is a rapid, inexpensive way to analyze aroma compounds in air at ultra-trace concentrations

Real-time sample analysis with high selectivity

Sensitive: sub-picogram per milliliter of air

Simple, nondestructive sample analysis

All compounds analyzed in one scan

Robust to water vapor

Easy to use, with self-checking and validation

Very low operating costs

Remote operation, support and troubleshooting

Easily integrated with existing infrastructure

SIFT-MS can measure and quantify most volatile compounds

alkanes, alkenes, aromatics, terpenes

alcohols, aldehydes, ketones, esters, furans

amines, amides, pyrazines

mercaptans, thioethers

halogenated compounds

ammonia, chlorine, hydrogen sulfide, phosphine, selected inorganic acids

Examples include:

Static and dynamic headspace analysis

SIFT-MS provides rapid, high sensitivity* static or dynamic headspace analysis of aroma compounds without preconcentration and discrimination. •Simple, non-destructive sample analysis.•Analyze all polarities without discrimination – no chromatographic column or SPME fibers.•No artifacts (e.g. selective uptake, chemical reactions, matrix damage) from solvent extraction, preconcentration, etc.

The result: rapid chemical analysis that better correlates with human aroma perception.

Industry applications include:•Product development.•Screening and troubleshooting raw material quality issues.

* For most compounds, routine detection limits are better than 1 picogram per milliliter of headspace.

Vipers BuglossThymeTawariBeech HoneydewCloverRewarewaManukaKamahiRata

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Real-time analysis of dynamic processes

SIFT-MS allows real-time monitoring of various flavor-modifying processes, such as: •Enzymatic changes (e.g. tomatoes, onions)•Roasting and other cooking processes (e.g. coffee, cocoa)•Mixing and grinding (e.g. conching of chocolate)

Real-time analysis provides unparalleled insights into the processes by which flavors develop. Through it, optimal aroma development can be achieved and formation of aroma defects prevented.

Industry applications include

•Product development•Process optimization•Process-line monitoring

Acetic acid

Methanol

Hexanoic acid

Real-time analysis: in vivo flavor release

Real-time analysis, coupled with high sensitivity and robustness to water vapor, enables flavor release to monitored in vivo. Retronasal and mouth sampling are readily accommodated.

Flavor release is a very important consideration in overall sensory perception and hence for new product development.

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Chewing startedon next exhalation

Objective measurement of flavor attributes

Sensory testing sets the benchmark for product acceptability and flavor is an important component of acceptance.

Sensory testing is, however, expensive, subject to fatigue and is very difficult to conduct on the process line.

An exciting area of research applies SIFT-MS as a real-time, objective flavor analysis tool in both on-line and off-line scenarios.

Pioneering work on Parmesan cheese utilized odor-active compounds determined by traditional methods to reliably discriminate between genuine Italian (red data in graph at top left) and imitation New Zealand (brown) Parmesan cheeses.

The SIFT-MS technique shows great potential as an objective, real-time aroma grading tool for the food industry.

PC1

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Customer Case Studies

Ohio State University, USA: Professor Sheryl Barringer

Examples of research undertaken:•Cocoa and chocolate volatiles •Tomato volatiles from chewing and enzyme activity•Mitigation of garlic malodor in breath•Edible nuts – almonds, cashews

Analytical equipment:•Syft Voice100 SIFT-MS equipped with high-performance inlet•Syft LabSyft software package

Since 2008, 11 students have used this solution, yielding:•17 papers have been published•Three papers are in preparation•Many results of industry significance

Total headspace concentrations above Don Homero cocoa beans

roasted at 150 ˚C

Ohio State University, USA: Professor Jim Harper

Examples of studies undertaken:•Swiss cheese: sulfur compounds, chemical origins of flavor•Vanilla: extract origin and interactions with ice cream ingredients•‘Warmed over flavor’ in meat

Analytical equipment:•Syft Voice100 SIFT-MS equipped with high-performance inlet•Syft LabSyft software package

Since 2008, four staff/fellows and 10 students have used this solution, yielding:•Four published papers•Seven papers submitted/in preparation•Many results of industry significance

Sulfur compounds in Swiss cheese aged 7 to 420 days

Multinational food company, USA: R&D laboratory

Applications to date:•Product development•Process optimization•Screening and troubleshooting raw material quality issues

Analytical equipment:•Syft Voice200 SIFT-MS equipped with high-performance inlet•Syft autosampler interface (‘trigger scanner’ device)•Syft LabSyft software package•Entech Instruments 7500D headspace autosampler

User since 2009

KaHo Laboratory of Enzyme, Fermentation and Brewing Technology, Belgium: Beer testing laboratory

Applications to date:•Headspace analysis of malts, including differentiation of malted barley cultivars•Real-time profiling of volatiles in drink, food and feed

Analytical equipment:•Syft Voice200 SIFT-MS equipped with high performance inlet•Syft LabSyft software package•Markes Micro-Chamber thermal extractor

User since 2009

The Syft Flavor Analysis Solution

The high-performance inlet provides optimum performance

Syft’s Heated Inlet Extension provides optimum performance for food and flavor applications, which require rapid response times and high sensitivity.

The inlet can be heated to 200 °C and is passivated with Silcosteel® coating. The inlet connects directly to the flow tube without passing through any valves, so there is no possibility of contamination from, or analyte loss on valve seats.

The high-performance inlet terminates in a lure fitting that is compatible with standard hypodermic needles. Swagelok® options are also available.

Integration with standard autosamplers provides high throughput

The Voice200® can be interfaced to standard autosamplers including:

Entech large-volume robotic autosamplers

Markes Unity thermal desorbers

CTC Combipal autosamplers

Markes Micro-Chamber thermal extraction devices

The Voice200® uses standard synchronization protocols to communicate with third-party devices.

The LabSyft suite provides sophisticated data analysis

The LabSyft software suite contains a range of data viewing and analysis tools including:

Live Viewer: View scan data in real time.

Data Viewer: Multi-scan viewing and data analysis and extraction.

Method Editor: Develop and modify scan methods. Reprocess old scan data with new analysis rules.

Library: View and add compound data to the Syft Compound Library.

Batch Scanner: Create batches of scans. View scan results.

Trigger Scanner: Interface with third party equipment.

Higher productivity and lower total cost of ownership

A Syft Voice200 will analyse as many samples in three hours as a GC-MS will analyse in a 40-hr week.

Higher productivity is due to:

•Greatly reduced calibration requirements.•Minimal system maintenance and cleaning requirements – no columns and ultra-clean chemical ionization.•Remote product support and fault diagnosis

Labour costs are reduced because:

•Operable by non-technical personnel.•No or minimal sample preparation required.•No pre-concentration necessary.

Summary

Syft Technologies’ Voice200® provides unique opportunities to flavor researchers and industry. These include:•Greatly increased sample throughput for headspace analysis;•Analysis of a wide range of compounds without discrimination;•Ability to probe enzymatic, roasting and other processes in real-time;•Characterization of in vivo aroma release;•Objective, real-time aroma quality analysis via odor-active compounds.

Syft’s Voice200 is user friendly and easily integrated into the lab and production line.

Further information:Technical overview of SIFT-MS

A key advantage of SIFT-MS is soft ionization using three reagent ions

SIFT-MS uses much softer ionization agents than GC-MS. In SIFT-MS, the chemical ionization (CI) agents are called “reagent ions” or “precursor ions”.

Softer ionization results in significantly less fragmentation than electron impact (EI) ionization and CI, making chromatography unnecessary and real-time analysis possible.

SIFT-MS is a unique CI-MS technique because it is very soft and precisely controls ion energies. This allows repeatable, real-time quantitative analysis.

SIFT-MS CI Compared with GC-MS CI and EI Ionization

Electron impact ionization (70 eV)

Chemical ionization:O2

+ reagent (12.1 eV)

CH2 +

C2H5 +

Fragment ionm/z = 91

Parent ionm/z = 106

Reagent Ion Relevant Ionization Property

H3O+ Proton affinity = 691 kJ mol-1

NO+ Ionization potential = 9.25 eV

O2+ Ionization potential = 12.1 eV

Three reagent ions with multiple ionization mechanisms greatly enhances selectivity

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H3O+

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O2+

Example: Acetone and PropanalReagent

IonIonization mechanism(s)

(analyte-dependent)

H3O+ Proton transferH3O+ + A A.H+ + H2O

O2+

Charge transfer (CT)O2

+ + A A+ + O2

Dissociative CTO2

+ + A Fragment+ + …

NO+

AssociationNO+ + A + M A.NO+ + M

Hydride abstractionNO+ + A [A-H]+ + HNO

Also CT and dissociative CT, but less so than O2

+ (lower IP)

An example – a multiple compound mixturePart 1: EI mass spectrometry with GC

An example – a multiple compound mixturePart 2: Real-time EI mass spectrometry (without GC)

An example – a multiple compound mixturePart 3: Real-time SIFT-MS

H3O+

NO+

O2+

This subset of the US EPA Compendium Method TO-15 sees all 15 compounds resolved and quantified in real time using SIFT-MS.

Note that each SIFT-MS reagent ion has a different “fingerprint” for the individual compounds and for the mixture as a whole.

Compound “fingerprints” (i.e. chemical ionization reaction data) are recorded in the Syft compound library software. The library records are utilized by powerful Method Editor software for straightforward development of analytical methods.

SIFT-MS has broad sensitivity to chemically diverse compounds

The chemical ionization process employed in SIFT-MS is sensitive to a broad range of chemical species. In particular the following compounds that are problematic for standard GC-MS analysis:

Reduced sulfur compounds, including H2S

Ammonia and amines

Formaldehyde and other small aldehydes

Phosphine and other highly reactive compounds

Thermally unstable compounds

Highly polar compounds

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High sensitivity and wide linear range

SIFT-MS offers:•Part-per-trillion by volume detection limits•Five or more orders of magnitude linear range•High real-time selectivity

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Measurement data and time

1,3-butadiene, NO+, C4H6+ 1,3-butadiene, O2+, C4H6+