SELECTED ION FLOW TUBE MSBasic Principles and Recent Innovations

Dr. Joeri Vercammen

joeri@syft-eu.comwww.syft-europe.com

1976First SIFT instrument described by David Smith (UK).

To study the kinetics of ion/molecule reactions in interstellar

clouds.

Low Tk?

Known signals & concentrations of I +, A and P+ are used to calculate reaction rates…

I+ A P+

1996Trace analytical technique.

Calculate concentrations from:

Reaction schemes

k-Values

1997

2001

2014SIFT-MS detects & quantifies trace amounts of volatiles,

Analysis in real time

Volatile organics & inorganics

Low PPB level sensitivity

725

875

900

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

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

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

Absolute quantification

Analysis time & sample gas flowrate

Reagent and product ion (absolute) signals

Rate coefficient of the reaction

[ 𝐴 ]=¿¿

Ultra-sensitivity

Detection limits in the sub PPB range.

Inert flow path from sample to flow tube

Zero blank levels

No source contamination

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

Applications

Common applications,

Food & flavour analysis rancidity

Clinical applications, breath analysis

Environmental analysis, real-time air monitoring

Online fermentation monitoring

Rancidity analysis

Exhaled breath analysis

Air monitoring applications

Allergens and their by-products in office air

Emissions from a pilot reactor

Toxic organic compounds in ambient air

Components

Ref. conc. (µg/m³)

Meas. conc. (µg/m³)

St. dev.(µg/m³) %RSD

Limonene 93 93 6.0 6.4%Linalool 155 155 11.5 7.4%

Reproducibility

Component Ref. conc.(µg/m³)

Meas. conc.(µg/m³) Bias Trueness

Limonene 93 93 0% 100%Linalool 155 155 -0.2% 100%

Accuracy

According to EN 15267-3 (AMS).

Performance criteria for automated measuring systems; two times the repeatability at zero, based on 20 analysis.

Sensitivity

Component Blank conc.(µg/m³)

St. dev.(µg/m³)

LOD(µg/m³)

LOQ(µg/m³)

Limonene 9 1.2 2.5 4.9Linalool 9 1.2 2.4 4.8

Uncertainty

Component Bias Reprod. ULimonene 0.04% 6.4% 13%Linalool -0.46% 7.4% 15%

Air freshener emissions in function of ozone concentration

Air monitoring applications

Allergens and their by-products in office air

Emissions from a pilot reactor

Toxic organic compounds in ambient air

Post combustion capture of CO2 uses reversible chemical scrubbing with an appropriate capturing agent.

By-products of the scrubbing process have to be monitored online at PPB levels.

Direct connection

13:40:48 13:55:12 14:09:36 14:24:00 14:38:24 14:52:48 15:07:12 15:21:36 15:36:00 15:50:24 16:04:480

50000

100000

150000

200000

250000

300000

350000

400000

450000

500000

Ammonia (O2+):

20 ppm

5 ppm

Typical results

Air monitoring applications

Allergens and their by-products in office air

Emissions from a pilot reactor

Toxic organic compounds in ambient air

The comparison was made using 25 compounds from the canister method of the United States’ Environmental Protection Agency (US EPA) TO-15 method.

TD-GC/MSIndependent laboratory (ISO/IEC 17025 certified)Three certified gas mixtures

Concentrations calculated from kinetic parameters.

LODs and LOQs for a5-second measurementare typically sub-ppbv.

Typical results

0 20 40 60 80 100 120 140 1600

20

40

60

80

100

120

140

160

Measured GC-MS concentration / ppbv

Mea

sure

d SI

FT-M

S co

ncen

trati

on /

pp

bv

0 10 20 30 40 50 60 700

10

20

30

40

50

60

70

Measured GC-MS concentration / ppbv

Mea

sure

d SI

FT-M

S co

ncen

trati

on /

pp

bv

Aromatic hydrocarbons

Chlorinated hydrocarbons

Comparative analysis using GC-MS and SIFT-MS of four SUMA-type canisters spiked with about 20 compounds at low to mid ppbv levels.

Typical results

SIFT-MS provides unique opportunities to environmental laboratories, researchers, regulators and industry. These include:

Quantitative analysis of a diverse range of compounds without discrimination and with direct comparability to GC-MS.

Ability to monitor pollution and other dynamic events in real-time.

Greatly increased sample throughput for canister and sample bag analysis.

Summary

www.syft-eu.com

Joeri@syft-eu.com+32-(0)10/45.00.25

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