Rapid evaporative ionisation mass spectrometry (REIMS) for Food applications - Waters Corporation Food Research
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Rapid Evaporative Ionisation Mass
Spectrometry (REIMS) for food & agri-
tech applications
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Overview
๏ก Real time analysis for food testing
๏ก Food authenticity applications
โ Fish & meat speciation
โ Botanical origin of honey
โ Authenticity of PDO butter
โ Phytochemical profiling in herbs
๏ก Summary & future study
๏ก Acknowledgments
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Origins of REIMS
๏ก Rapid Evaporative Ionisation Mass
Spectrometry (REIMS) is an emerging
technique that allows rapid characterisation of
biological tissues with no need for sample
preparation
๏ก The inventor, Professor Zoltan Takats of
Imperial College, London, created the iKnife, by
connecting an electrosurgical knife to a mass
spectrometer
โ Electrosurgical knives use an electrical current to
rapidly heat tissue, cutting through it while
minimising blood loss
โ In doing so, they vaporise the tissue, creating
smoke that is normally sucked away by extraction
systems but is actually a rich source of biological
information that can provide the surgeon a real-
time decision-making tool
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REIMS for food research workflow
chemometric profiling
iKnife
and Xevo
G2-XS QTof
Model
Generation
Multivariate
statistical
analysis
Different
tissues
Different
species
Different
production
Biomarker ID &
verification
Identification of unknowns by
similarity to database entries
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Direct analysis for flexible & rapid
screening
Sub-sampling
Determination
(5s)
Data analysis
(2s)
Report
๏ผ Point-of-control analysis
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Oceana survey undertaken in 2015
๏ก Only 6% of Northern red
snapper fish collected were
truly red snapper (Lutjanus
campechanus)
๏ก 84% of tuna sold in sushi
restaurants was escolar
(health effects)
๏ก Almost 50% of all grocery
stores visited in Boston sold
mislabelled fish
๏ก 31% of cod in Boston was
mislabelled
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North Atlantic Cod (Gadus morhua)
Gadidae genus
Glycerophospholipids
PAs
PEs
PCs
PIs
EPA
Eicosapentaenoic
acid
DHA
Docosahexaenoic
acid
Arachidonic acid
Hexadecanoic
acid
Fatty acids
Unsaturated&
saturated
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Spot the differences?
REIMS neg ion +IPA 200 ยตl/min + leu enk
Cod
Whiting
Monkfish
Leu enk
[M-H]-
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White fish database
Proof-of-concept
Species
Atlantic cod - Gadus morhua
Haddock - Melanogrammus aeglefinus
Atlantic pollock - Pollachius pollachius
Coley - Pollachius Virens
Whiting (lunar whiting) - Merlangius merlangus
Authentic samples obtained from the UK seafish
industry & verified by rtPCR
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Preliminary multi-species model
Raw fish muscle
Group Numberofspectra Numberofpasses Numberoffailures Numberofoutliers CorrectClassificationRate
G 2268 2133 135 0 94.05%
Total 2268 2133 135 0 94.05%
Species Cod Coley Haddock Pollock Whiting Total
Cod 638 11 46 0 0 695
Coley 1 260 0 0 7 268
Haddock 51 2 512 0 1 566
Pollock 0 0 0 373 0 373
Whiting 0 16 0 0 350 366
Cross validation results
๏ง REIMS negative ionisation acquired in
sensitivity mode on the Xevo G2 XS Qtof
using monopolar knife sampling
๏ง Spectral data were acquired between 200-
1200 m/z
๏ง 200 biological samples & >2000 spectra
PCA
ColeyPollock
Whiting
Haddock
Cod
PCA/LDA
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PROTOTYPE real-time recogniser
software
Question
Which species of fish
are present?
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Meat Speciation an Emerging issue in
India (October 2015)
Bos taurus vs. Bison bonasus
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Polyunsaturated fatty acid (PUFA)
content
Ca. x1.6
Arachidonic acid
โฆ6
C20H32O2
Eicosapentaenoic acid
โฆ3
C20H30O2
Ca. x7
๏ผ Good ratio of โฆ3:6 acids
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REIMS spectra
Kaempferol
Apigenin
Oleanolic acid /
ursolic acid
Herbs & spices
PDO status Belgian butter
Botanical origin of
honey
Essential โฆ6 fatty acid
โฆ9
Galangin
Myricetin
Geographical origin of coffee
Caffeine
Tanzania
Peru
Kenyan
Colombian
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Summary & future prospects
๏ก REIMS for food authenticity?
โ Direct analysis technique results possible in seconds
o New ionisation technique
โ Simplicity of operation & potential for automation
โ Point-of-control analysisโฆ bringing the analysis to the sample
o RTR software commercialisation June 2016
๏ก Chemometric profiling
โ Holistic profiling of the sample for QC
โ Detection of the โunexpectedโ for authenticity
o Potential to identify & verify unique product markers
๏ก Liquid sampling REIMS
โ Alcoholic beverages; fruit juices; milk & edible oils
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Acknowledgements
๏ก Prof Zoltan Takats (Imperial College, London)
๏ก Dr Simon Hird, Dr Jonathan Williams, Dr Emrys Jones, Dr Julia Balog,
Dr Steve Pringle, Dr Mike Morris, Dr Jackson Pope (Waters, Manchester
and Budapest)
๏ก Prof Chris Elliott, Dr Olivier Chevallier, Connor Black (Queens
University, Belfast)