1. INTEROFFICE MEMORANDUM
WRPS-1404107
Date: October 31, 2014
From: J. P. Worden
222-S Laboratory, Organic Studies
Production Operations
Subject: SIFT-MS INSTANT QUANTIFICATION OF COMPOUNDS IN AIR
Introduction
The SIFT-MS, Selected Ion Flow Tube-Mass Spectrometer, is a new tool for real-time analysis
of volatile compounds in air. I had the pleasure of attending a SIFT-MS seminar on the
Voice200 Ultra Instrument hosted by Quantum Analytics and presented by Syft Technologies in
Foster City, California, on September 18, 2014. The seminar was presented by Daniel Milligan,
and this summary is based on his presentation, slides, and my notes.
The Voice200 Ultra can perform real-time analysis that is quantitative, selective, and sensitive
for a wide range of volatile compounds in air. SIFT-MS can simultaneously analyze compound
concentrations that differ by over 5 orders of magnitude. The measuring range is from 100pptv
to 0.1%.
SIFT-MS can measure and quantify most organic and inorganic volatile compounds.
Compounds
Hydrocarbon Compounds: Alkanes, Alkenes (i.e. 1,3-Butadiene), Aromatics, and
Monoterpenes (Carbon compounds C-1 to C-14)
Oxygenate Compounds: Alcohols, Aldehydes, Ketones, Esters, Ethers, Carboxylic acids,
Phthalates, and Formaldehyde
Nitrogen Compounds: Amines, Amides, Nitriles, and Nitrated Organics
Sulfur Compounds: Mercaptans, Thioethers, Carbon Disulfide, and Carbonyl Sulfide
Halogenated Compounds: Aliphatic and Aromatic Fluorides, Chlorides, Bromides, and
Iodides
Inorganic Compounds: Ammonia, Hydrogen Cyanide, Hydrogen Sulfide, Nitric Oxide,
Nitrogen Dioxide, Nitrous Oxide, Chlorine, and Phosphine
Other Compounds: Siloxanes, Explosives, Chemical Warfare Agents, Narcotics
This was my first experience with a single instrument that has the capability to perform an
analysis of all of these compounds at the same time with immediate results. The SIFT library
currently contains over 1000 compounds. Adding target species to the library is possible with a
neat standard and diffusion tubes. I recently received the Syft compound list. Of the current 80

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Compounds of Potential Concern (COPC) target compounds analyzed by the Organic Studies
group, 46 of the compounds are currently on the Syft list. Of the 76 COPC compounds not
currently calibrated for by the Organic Studies group (tentatively identified compounds [TIC]),
32 of those compounds are on the Syft list. The COPC list can be found in the Reference
(WRPS-0901099, “Compounds of Potential Concern Data Evaluation Direction”).
The Syft Voice200 Ultra can perform direct analysis of air, sampling bags, canisters, breath,
thermal desorption devices, micro-chambers, headspace vials, and emission chambers. The
instrument can be operated continuously and remotely, as well as supported remotely. It can be
controlled or monitored with a touch screen on the instrument, a connected PC, a remote
networked PC, or a smart phone/smart device. The Syft Voice200 Ultra can also be interfaced
with an auto-sampler.
The instrument requires either nitrogen or helium carrier gas for operation. It has been
successfully used with a nitrogen generator. The instrument also requires deionized water and a
Syft Calibration Gas Standard.
The samples do not require preparation. The water vapor content of the sample does not affect
results.
How It Works
SIFT-MS uses three reagent ions to collide and chemically ionize volatile sample compounds in
a flow tube. This is soft chemical ionization. The ions are produced by microwave plasma
ionizing water and then separated by a quadrupole that switches between each selected ion. The
ions are H3O+
, O2
+
, and NO+
. The product ion(s) that results from the collision of the generated
ion and the volatile molecule is then detected by a second downstream quadrupole per its unit
mass (m/z). The mass of the ion(s) from the different select ion reactions is used to determine
the identity of the compound.
Each compound analyzed for will have a reaction rate coefficient in the library. The reaction
rate coefficient for the compound with the constant gas flow and fixed flow tube path length is
used to quantify the detected compound as it is detected by the analytical quadrupole.
Quantification is performed on the basis of the ratio of product ion count to reagent ion count.
There is no need to calibrate with several levels of difficult to procure and manufacture
standards. In my experience, many standards and standard mixtures are either not made,
impossible to make, or unstable.
Knowledge of the ion chemistry for the selected compounds in the precisely controlled flow tube
is critical for identifying and quantifying compounds. Once these values are calculated or
entered from the library for the system, there is no further ion chemistry work to complete for
that compound.
The selection and use of one of the three different ions allows for the identification of
compounds with identical masses (isomers and others). Depending on the mass and group of

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analytes analyzed for, one, two, or all three of the ion products can be used to identify and or
quantify the compounds.
Typical Reactions and Ions:
H3O+
+ Analyte  Analyte-H+
+ H2O (MW+1)
O2
+
+ Analyte  Analyte+
+ O2 (MW)
NO+
+ Analyte  Analyte-NO+
(MW+30)
Where:
MW = Molecular Weight
Several other reactions also occur. Electron transfer has been observed as well as dehydration
reactions for oxygen-containing compounds.
Conclusion
SIFT-MS chemical ionization and quadrupole mass selection is a powerful and fast new tool for
quickly identifying and quantifying compounds in air. The cost for this instrument offered by
Quantum Analytics is about $200,000 plus accessories. The company has a standing offer to
show potential customers the instrument in operation at their offices in Foster City, California.
The best application for this technique in the 222-S Laboratory would be analyzing air samples
for the compounds typically found in personal, source, and area samples. It has an advantage
over our current analytical techniques in that it could potentially analyze for many of our volatile
organic analytes (VOA), semi-volatile organic analytes (SVOA), furan, and aldehydes
simultaneously with one instrument. We could also expand the ability to analyze 1,3-butadiene,
ammonia, and chlorine as well as some lighter VOAs. Combining all of these analyses into one
report would greatly increase the efficiency of the 222-S Laboratory.
While this instrument works quickly for the selected compounds of interest, it will not directly
identify unknown compounds. Knowledge of the historical compounds found in a given area
would aid in setting up the list to analyze for on the SIFT-MS. Neat standards and method
development would add to the possible compounds included in that list.
This instrument is also mobile. It can be set up in a vehicle with a power and gas supply and
once parked, could be ready to analyze within fifteen minutes. Following a vapor event or a
specific work evolution, the parked vehicle could continuously monitor as long as it has power
and gas. Remote control, monitoring, and data collection could proceed from any networked
device.

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One instrument in the laboratory could be used for analysis and library list development, and a
mobile SIFT-MS could be used in the field for continuous monitoring where needed. SIFT-MS
can provide real time analysis of several volatile compounds of interest.
Please contact me at 373-1189 for further information.