Overview of technologies for food authentication, from rapid direct analysis to LC/MS with single quadrupole and high resolution MS

1. ©2016 Waters Corporation 1
Analytical Technologies for Identification of
Food Fraud and Authentication

2. ©2016 Waters Corporation 2
Overview
 Food authenticity implications for food safety, quality and
traceability
 Routine analytical solutions for food profiling
 Real time mass spectrometry for direct analysis of food and natural
products
– DART-QDa
– ASAP/QTOF-MS
– REIMS/QTOF-MS
 Determination of botanical origin
– Metabolomics study & results – Basmati Rice Authenticity
– Non-targeted profiling – Ginseng comparison study
 Summary and conclusions

3. ©2016 Waters Corporation 3
Some history…
 “Food fraud” has been around for centuries with examples such as the
adulteration of imported tea with iron filings in the 19th century
 2008 “melamine scandal”
 2013 “horse meat scandal”
 Tip of the iceberg!
 New vocabulary
– Food Security
– Food defence
– Food fraud
– Threat Assessment Critical Control Point (TACCP)

4. ©2016 Waters Corporation 4
But why adulterate?
 Mainly for financial gain
– Product extension
– Improve perceived quality
attributes
– Brand/product substitution
– Reduce manufacturing costs
 May also be accidental or
malicious
– Ignorance
– Reputation damage
– Terrorism
HACCP and Food Security James T Flynn – HACCP Now www.haccpnow.com

5. ©2016 Waters Corporation 5
How can this happen?
(Global) food supply chain vulnerability

6. ©2016 Waters Corporation 6
Importance of Authentication
Quality
SafetyEfficacy
Active component/ingredient
Contaminants
Adulterants
For finished products:
Identity, Purity, Strength,
Composition

7. ©2016 Waters Corporation 7
Food and Natural Products
Complex Matrix
Alkaloids
TerpenesPhenylpropanoids
Terpenoids
Phenolics
Glucosinolates
Polyketides Can contain
>1000s of unique
compounds!
http://www.puremedic.com/images/img-products.jpg?bc_t=7tA9BUifDDKKc3X5mMNtWw

8. ©2016 Waters Corporation 8
What Role Can Technology Play in
Combating Food Fraud?
 By design fraud will be hard to spot visually
 In some cases simple screening tests may help, but
food criminals are becoming increasingly
sophisticated
 Adulteration or substitution that is expected, can be
detected readily - unexpected fraud may require
more sophistication

9. ©2016 Waters Corporation 9
Waters Separation Science Solutions
Chemistry Chromatography Mass Spectrometry
Alliance
QDa
Xevo
TQ-S
TQ-S Micro
TQD
Xevo
G2-XS QToF
Vion IMS
Synapt
Informatics (Empower, MassLynx, UNIFI, Progenesis QI)
APGC

10. ©2016 Waters Corporation 10
Routine Mass Detection for Food
Testing – From Nutritional
Composition to Natural Toxins

11. ©2016 Waters Corporation 11
QDa
PDA
ACQUITY H-Class and QDa
 Simply power on and its ready to go
– Push button, fast warm up, run
samples – it just works
 No user set-up optimisation,
calibration or adjustments
 auto check and calibration
 Small, modular footprint
 Fits in ACQUITY stack
“If you can use a PDA,
you can use a QDa”
H-Class
System

12. ©2016 Waters Corporation 12
What are SIRs?
Selected Ion Recording
 More selective and sensitive way of looking at the data on the
QDa (rather than using full scan)
 Full scan mode, e.g. 100-800 m/z
– (similar to using the setting of 190-800 nm on a eλ PDA detector)
 SIR mode, e.g. 417 m/z (m/z = mass-to-charge ratio)
– (much more selective than using e.g. 320 nm on a UV detector:
generally related to compound mass)
169
195
417
153 123….
417
m/z
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
%
0
100
255
439
417
256
m/z
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460
%
0
100
255
439
417
256

13. ©2016 Waters Corporation 13
 Variety of sweeteners are used in tobacco flavor formulations
– Traditionally detected by multiple optical detectors (including UV, ELSD
and fluorescence)
Sweeteners Analysis
Rebaudioside A
(RebA)
Acesulfame K SaccharinCyclamate
Sucralose
Stevioside
NeotameAspartame

14. ©2016 Waters Corporation 14
Application Overview – Sweeteners
Analytical Challenges:
 Product labelling requirements
 Multiple LC methods to detect and quantify various
sweeteners
 Some sweeteners are UV transparent
 Complex food and beverage matrices
Waters Solution:
ACQUITY UPLC H-Class & ACQUITY QDa Detector
 Identification and quantification using a single analysis method
 No need for complete chromatographic separation
 Significantly improves analytical throughput

15. ©2016 Waters Corporation 15
Sweeteners Analysis
Saccharin
Ace K
Aspartame
Neotame
AU
QDa SIRs
PDA Data

16. ©2016 Waters Corporation 16
Sweeteners AnalysisAU
Cyclamate
UV
transparent
Sucralose
UV
transparent
QDa SIRs
PDA Data

17. ©2016 Waters Corporation 17
Sweeteners Analysis
Stevioside
Reb A
Co-elution
AU
QDa SIRs
PDA Data

18. ©2016 Waters Corporation 18
Sweeteners in Food & Beverages
Saccharin
Ace K
Aspartame
Neotame
Stevioside
Reb A
Co-elution
AU
Cyclamate
UV
transparent
Sucralose
UV
transparent
QDa SIRs
PDA Data

19. ©2016 Waters Corporation 19
Nicotine and Related Impurities
in E-Liquids
Anabasine
C10H14N2
162.232 Da
Cotinine
C10H12N2O
176.215 Da
Nicotine-n-oxide
C10H14N2O
178.231 Da
Anatabine
C10H12N2
160.216 Da
Beta-Nicotyrine
C10H10N2
158.200 Da
Nicotine
C10H14N2
162.232 Da
Myosmine
C9H10N2
146.189 Da
Nornicotine
C9H12N2
148.205 Da
Analysis of nicotine and related impurities is essential to
ensure the quality, safety and efficacy of ingredients used in
e-cigarette products

20. ©2016 Waters Corporation 20
AU
0.00
0.04
0.08
Intensity
0.0
7.0x106
1.4x107
Intensity
0
4x106
8x106
Minutes
0.00 1.40 2.80 4.20 5.60 7.00
Nicotine Detection – PDA vs. QDa
PDA
QDa
QDa
UV@260nm
SIR, m/z 163.2
SIR, m/z 130.2
Nicotine
Nicotine
Quinoline
Quinoline

21. ©2016 Waters Corporation 21
Nicotine Impurities (1ppm Standard)
PDA vs. QDa
AU
0.000
0.018
0.036
Intensity
0
3x106
6x106
Intensity
0.0
6.0x105
1.2x106
Intensity
0
2x106
4x106
Intensity
0
3x106
6x106
Intensity
0
3x106
6x106
Intensity
0
4x106
8x106
Intensity
0
300000
600000
Intensity
0.0
9.0x105
1.8x106
Minutes
0.00 1.40 2.80 4.20 5.60 7.00
UV@260nm
Myosmine, m/z 147.20
Nicotine-N-Oxide, m/z 179.2
Beta Nicotyrine, m/z 159.20
Quinoline, m/z 130.20
Cotinine, m/z 177.20
Nornicotine, m/z 149.20
Anatabine, m/z 161.20
Anabasine, m/z 163.20
PDA
QDa

22. ©2016 Waters Corporation 22
Impurities Measured
Compound R2
Fit
Calibration Range
(µg/mL)
Sample Conc.
Range (ug/mL)
Nicotine-N-Oxide 0.990 Quadratic 0.005 – 5.0 0.06 - 6.40#
Nornicotine 0.999 Linear 0.005 – 0.5 0.098 - 0.50
Cotinine 0.996 Linear 0.005 – 0.5 nd – 0.48
Anabasine 0.999 Linear 0.005 – 0.5 0.007 - 0.10
Anatabine 0.996 Linear 0.005 – 0.5 nd - 0.05
Myosmine 0.999 Linear 0.005 – 0.5 0.07 – 0.50
Beta-Nicotyrine 0.999 Linear 0.005 – 0.5 nd – 0.35
# Data outside the calibration range for one brand of e-liquid. The levels of nicotine-n-oxide are
reported to increase as nicotine gets oxidized during product shelf-life.

23. ©2016 Waters Corporation 23
Advantages of Using
ACQUITY QDa Detector
 Increased sample throughput
- Multiple components in a single method
- Integrate with UV detection
- Baseline separation not required
 Highly Selective
 High Sensitivity
 Supports method development
 Compatible with Alliance & ACQUITY

24. ©2016 Waters Corporation 24
Ambient Ionization with Nominal Mass MS
DART-QDa Application

25. ©2016 Waters Corporation 25
DART Background
 DART - Direct Analysis in Real Time
 Ambient ionization
 Little to no sample prep needed
– No chromatography
 Different mechanisms of introducing the sample into the
mass spectrometer
– Liquid samples on
QuickStrip card
– Solid samples held in front of DART source
– Thermal desorption of analytes by hot gas stream
– APCI-like ionization from corona pin discharge
 M+H and M-H are typical ions formed

26. ©2016 Waters Corporation 26
DART-QDa Sampling Options
QDA
Mass
Spectrometer
Sampling
Cone
Flavored
Sample
DART
Source
Solid
Sampling
Liquid
Sampling
Liquid Sampling
Aroma
Sampling

27. ©2016 Waters Corporation 27
DART Cinnamon Analysis
 Whole cinnamon sticks
– Held directly in front of the DART source
 Ground cinnamon
– Sampled directly onto the QuickStrip screen
– Rub powdered sample onto screen using cotton swab to prevent
clogging of QDa cone
o Most of the sample falls through the screen but a residue is left
behind for sampling

28. ©2016 Waters Corporation 28
Facts about Cinnamon
 Cinnamon is commonly adulterated
 Cinnamon is actually the bark of the Cinnamomum tree
 Four species of cinnamon
– C. Verum or Ceylon  “True Cinnamon”
– C. Burmannii or Korintje  “Indonesian cinnamon”
– C. Loureiroi  “Saigon cinnamon”
– C. Cassia  “Chinese cinnamon”  This is the adulterant commonly
used
 Ceylon is the only cinnamon that does not contain high levels of
coumarin
– Precursor in the synthesis of coumadin (anticoagulant)
– Hepatotoxic compound
– Possible carcinogen

29. ©2016 Waters Corporation 29
Cinnamon Sticks
C. Verum
“True Cinnamon”
C. Burmannii
“Korintje cinnamon”
147
Coumarin
133
Cinnamal-
dehyde
133
Cinnamal-
dehyde
147
Coumarin

30. ©2016 Waters Corporation 30
Ground Cinnamons
Cinnamaldehyde
Coumarin
Methyl
Cinnamate
Ceylon
Burmannii
Loureiroi

31. ©2016 Waters Corporation 31
Ambient Ionization with Exact Mass MS
ASAP-QTOF Application

32. ©2016 Waters Corporation 32
Atmospheric Pressure Solids
Analysis Probe (ASAP)
 Atmospheric Solids Analysis Probe
 Direct sample analysis
— Fast (<1 minute)
— No sample prep
— No chromatography
— Solids and liquids

33. ©2016 Waters Corporation 33
Time
2.00 4.00 6.00 8.00 10.00
%
0
100
8_5_20a TOF MS AP+
BPI
7.39e5
2.74;475
1.37
390
7.22
505
4.34
475
5.75
390
Example 1: HDS Samples Analyzed by ASAP:
Screening for PDE-5 Inhibitors
1
2
3
4
5
m/z
100 200 300 400 500 600 700
%
0
100
%
0
100
%
0
100
%
0
100
%
0
100
8_5_20a 41 (1.368) TOF MS AP+
1.95e5390.14
268.12
8_5_20a 81 (2.736) TOF MS AP+
3.82e6475.21
410.25
8_5_20a 128 (4.344) TOF MS AP+
1.41e6475.22
410.25
8_5_20a 168 (5.712) TOF MS AP+
6.48e5390.14
257.25 475.22
8_5_20a 211 (7.182) TOF MS AP+
1.13e6505.21
257.25
Tadalafil
Sildenafil
Sildenafil
and
Tadalafil
Tadalafil
and Sildenafil
Analogue of sildenafil
C23H33N6O3S2
1
2
3
4
5
Illegal counterfeiting of pharmaceuticals and adulteration of herbal
dietary supplements with synthetic pharmaceuticals

34. ©2016 Waters Corporation 34
Oxethazaine
C28H42N3O3 (1.1PPM)
Caffeine
C8H11NO2 (1.0 PPM)
Chlorpheniramine
C16H20ClN2 (3.6 PPM)
Piroxicam
C15H14N3O4s (1.8 PPM)
Example 2: HDS Samples Analyzed by ASAP:
Screening for Synthetic Adulterants

35. ©2016 Waters Corporation 35
THE FUTURE OF AUTHENTICITY
REIMS – RAPID EVAPORATIVE IONIZATION
MASS SPECTROMETRY

36. ©2016 Waters Corporation 36
REIMS for Food Testing – New Direct
Sampling Technique
Xevo G2 XS QToF
+
iKnife
Real Time Recognition Model Generation
Mass Spectra
REIMS – Rapid Evaporative Ionization Mass Spectrometry

37. ©2016 Waters Corporation 37
How does it work?

38. ©2016 Waters Corporation 38
Workflow
Acquire Import Analyze Identify Review
o Fast, direct ionization
o No sample prep required
o No chromatography required

39. ©2016 Waters Corporation 39
Workflow
Acquire Import Analyze Identify Review
o Easily manage large datasets
o Handle multiple replicates
o Enhance data quality

40. ©2016 Waters Corporation 40
Workflow
Acquire Import Analyze Identify Review
o Easy to use multivariate statistics
o Differentiate sample groups
o Highlight significant features

41. ©2016 Waters Corporation 41
Workflow
Acquire Import Analyze Identify Review
Flexible compound search methods o
Compatible with popular databases o
Confident assignments o

42. ©2016 Waters Corporation 42
Workflow
Acquire Import Analyze Identify Review
Effective visualization tools o
Integrate with other informatics o
Employ pathway analysis o

43. ©2016 Waters Corporation 43
Botanical Origin of Honey
PCA Plots
Buckwheat
Heather
Manuka
Pool
Rape

44. ©2016 Waters Corporation 44
Meat Speciation: buffalo vs. bovine
REIMS Tof MS neg ion IPA 150 ul/min 50-1200 m/z

45. ©2016 Waters Corporation 45
Multi-species muscle tissue – MVA
models
2 biological replicates of each species, 10 technical
replicates per sample
PCA model
Non-ruminants
Ruminants
Buffalo Bovine
Porcine
Ovine
Gallus
gallus

46. ©2016 Waters Corporation 46
Phytochemical Profiling in
Culinary Herbs (Lamiaceae family)
Tof MS neg ion with IPA 50–600 m/z
Oregano
Origanum vulgare
Thyme
Thymus
vulgaris
Sage
Salvia officinalis
Rosemary
Rosmarinus officinalis

47. ©2016 Waters Corporation 47
Rosmarinus officinalis
Tof MS neg ion with IPA @ 200µl/min + leu enk
Kaempferol
C15H10O6
-0.16ppm
Apigenin
C15H10O5
-2.2ppm
Oleanolic acid /
ursolic acid
C30H48O3
-1.84ppm
Quinic acid
C7H16O6
1.23ppm
5,7-Dihydroxy-3',4',5'-trimethoxyflavone (ayanin)
C18H16O7
-3.94ppm
Flavonoids
Polyphenols
Terpenes, terpene
alcohols & terpenoids
2-hydroxybenzoic acid (salicyclic acid)
C7H6O3
1.46ppm

48. ©2016 Waters Corporation 48
OMICS Workflow and Applications

49. ©2016 Waters Corporation 49
Data AcquisitionSample prepQuestion
Foodomics Workflow
Experimental Plan Standardized
Data Processing
Using Progenesis QI
Chemical/Biomarkers
for Food Safety,
Quality, Research
Assessment
Targeted Non-Targeted
UPLC+APGC/QTOF-MS

50. ©2016 Waters Corporation 50
Waters LC-GC-HRMS Workflow
Full System Solution for Metabolic Profiling
DETECTION
MASS
SPECTROMETRY
Xevo®
G2-XS QTof
.
DATA ANALYSIS
ADVANCED
INFORMATICS
Progenesis®
QI
SEPARATION
LIQUID/GAS
CHROMATOGRAPHY
ACQUITY UPLC® I-Class
Or APGC
UPLC
APGC

51. ©2016 Waters Corporation 51
Basmati Rice Authenticity
Instrumentation Setup
Sample Description ID
1 Basmati Manufacturer 1 BAS M1
2 Basmati Manufacturer 2 BAS M2
3 Long Grain Manufacturer 3 LG M3
4 Basmati Manufacturer 4 BAS M4
5 Jasmine Manufacturer 5 JAS M5
6 Basmati Manufacturer 3 BAS M3
7 Jasmine Manufacturer 4 JAS M4
8 Composite Sample Pool

52. ©2016 Waters Corporation 52
Basmati Rice Authenticity
PCA Plot
Basmati ?
Jasmine ?
Long Grain ?

53. ©2016 Waters Corporation 53
Ginseng Comparison Study
Ingredients:
Panax quinquefolius
Root
Form:
Capsules
Ingredients:
Red Panax ginseng root
extract
Other: honey, alcohol
Form:
Oral Drink
Panax
quinquefolius
Panax
notoginseng
Panax
ginseng
Reference ginseng samples
Commercial ginseng products
Red Panax
Ginseng
Wild Harvest:
American Ginseng
Prince of Peace:
Red Panax Ginseng Extractum

54. ©2016 Waters Corporation 54
Results and Discussions:
Ginseng comparison study
Red Panax ginseng
Panax ginseng
Panax notoginseng
Panax quinquefolius
TIC plots

55. ©2016 Waters Corporation 55
-2500
-2000
-1500
-1000
-500
0
500
1000
1500
2000
2500
-3000 -2500 -2000 -1500 -1000 -500 0 500 1000 1500 2000 2500 3000
PC2(32.1%Variance)
PC 1 (39.5% Variance)
Authentic vs Commerical Ginseng Products
American Ginseng
PG
PG red
PP
PQ
Prince RedPG red
American Ginseng
PG redPG
Prince Red
PG
PP
Prince Red
PPPP
PQ
Prince Red
PQ
PG red
American GinsengAmerican Ginseng
PG
PQ
UNIFI 3.0.3 - Ginseng_XevoG2SQTof_POS 2AP2015.usp (M12: PCA-X) - 2015-09-15 15:44:47 (UTC-5)
Panax
ginseng
Panax
quinquefolius
Panax
notoginseng
Red Panax
Ginseng
Principal component analysis (PCA) Scores Plot
PCA scores plot displays how different each species of ginseng is but classified the
commercial products correctly with the authentic ginseng samples
Prince of
Peace
Wild
harvest
Results and Discussions:
Ginseng comparison study

56. ©2016 Waters Corporation 56
-0.15
-0.10
-0.05
-0.00
0.05
0.10
0.15
0.20
0.25
-0.08 -0.06 -0.04 -0.02 0.00 0.02 0.04 0.06 0.08 0.10 0.12 0.14 0.16 0.18 0.20 0.22 0.24 0.26 0.28 0.30 0.32 0.34
PC2Loadings
PC1 Loadings
Authentic vs Commerical Ginseng Products
141.95874
470.10730
172.97701182.98511
468.17599329.08394473.12574
137.98770
392.15445438.19623456.20712 254.16113
361.10971290.11346349.16150276.14393294.15446253.07068271.08116282.11927
283.13963342.13910347.09444
158.96135
490.19117384.11448472.18055311.07349646.31668310.12805328.13861484.26463166.08635120.08101
342.00315
322.21209100.07597
590.24350
428.19130
410.18022127.03926529.20216109.02870225.95589266.98246182.98513284.14932266.13874
281.11269
100.07596
306.13304367.14929
363.17712
386.18058370.18539
205.09712
188.07075
428.19129
356.17022290.13849338.15946305.98176127.03923315.06428
355.10206
410.18023489.19535
364.16109888.41408637.42950
655.44020
857.48448
439.35579457.36679355.16469332.19648
339.10689147.04409
801.49738200.10718
513.19369522.21702
417.18717
177.05463369.11730
412.22243
751.46021
637.42982870.40311
839.47414
855.44739
619.41936
381.18731
421.34581
765.47667
439.35644
374.15911
639.44548
382.21192
365.19271
619.41907
330.21321
564.35822498.25879
621.39905
608.38403
839.47368
817.49184
963.54928
985.53130
1016.45983457.36652
655.43979439.35607
801.49719
819.50765
386.17031
652.41022412.05735208.00540317.05420
319.05008
253.00314390.07557573.04959278.02346249.03208419.202751016.46086603.42394
476.21166
985.53167
1131.58880
696.43643
1162.51710439.35632
405.35078
423.36129
441.37169
243.14876476.21161
603.424451016.46120765.47631985.53151421.34544339.26778639.44515
955.52137
801.49744
441.37219
423.36176
405.35118
621.43490
226.14621227.15407184.09949
823.479391033.46452
459.38273
567.40302
573.41420
603.42462
585.41393555.40344349.28847952.51394
735.46680
217.19500203.17961854.40835977.57693
367.29909775.45865
753.47698
978.59128
971.49440
692.35696717.45579486.24756866.40910
986.45121
1017.49135439.35608785.50267 637.42933421.34558403.33496
745.45095
583.39838763.46177765.47610619.41920
708.36962
137.98768639.44568
801.49738
784.49229
786.52599993.61315
1440.30302
876.49746776.00577
992.60958
1350.27107493.25518
991.59218
985.51061
966.52886
969.53728
1079.45197778.48302
1059.60583
1031.50637
1000.46632
715.47391
877.521681005.60693
913.54928
895.53864
515.38711820.40349
930.56900
1075.60133
587.42976
569.41931
551.40870
784.51812
533.39790
749.48217
713.46029
731.47103
1260.23990
767.49249
935.53064
789.47385
309.117751267.72479805.44778
880.42439
1439.802161047.47768
929.54435851.44342911.533401225.865421207.85466
1440.81701661.42713
783.48730
459.38252
1387.91896385.30947482.39824341.28329893.49938
441.37251
367.29913549.39268323.27253
692.35650
567.40351464.38774337.28816349.28854
423.36215
405.35137
299.23658281.22608295.24169321.25733313.25232243.21050531.38167
585.41407423.42028
335.27288203.17942283.24157297.25715187.14814674.34624
365.31946
217.19509269.22616189.16363765.47651351.30303
423.68832
881.73616
363.30353
603.42534
899.74744
621.43567
381.31452446.37710
423.73228
327.26799215.17946
423.53358
1061.79895
241.19484271.24171301.25211267.21056161.13256309.25731311.27308273.22108207.17422353.28333255.21061285.22111201.16370383.32993734.36743
1079.80936
441.43155
1223.85188
644.45044
405.40832
259.20562863.72539800.513751492.84440147.11712603.81490747.46591
603.49509901.42169
547.362491259.87379621.50538
1241.86236
1456.82678
1439.93527
805.469581043.78809643.41704
1421.92494
836.398361277.882791205.84293
846.55204854.40920
721.358791034.47233
839.45361
1025.77672
1294.77286
662.46101
823.47998
832.54026
1474.83633
1220.71659
933.39462895.43521845.53532859.55048
820.47159
705.38724
1229.70370
914.43151440.73950852.41331885.44952
100.07596158.96134
829.45648
466.26377471.21922708.36978
405.35081423.36138909.47981
689.42459707.43500
801.49700
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UNIFI 3.0.3 - Ginseng_XevoG2SQTof_POS 2AP2015.usp (M12: PCA-X) - 2015-09-15 15:53:52 (UTC-5)
Panax
ginseng
Panax
quinquefolius
Panax
notoginseng
PCA Loadings Plot
PCA loadings plot displays all the contributing variables (m/z) that explain how
different each of the ginseng species are.
Export
important
markers into
structure
elucidation
tools for
identification
Results and Discussions:
Ginseng comparison study

57. ©2016 Waters Corporation 57
Unique marker identification
Panax notoginseng
Discovery Tool
•Elemental Composition
•Library Search
•Fragment Match
Marker List
Search hits
Compound
information
MS
spectrum
Marker Summary
Fragment matches
Bring all markers from the PCA loadings and search using
the TM library/Chemspider to identify compounds of interest
Panax notoginseng
Panax quinquefolius
Panax ginseng

58. ©2016 Waters Corporation 58
Unique marker identification
Panax ginseng
Panax ginseng
Bring all markers from the PCA loadings and search using
the TM library/Chemspider to identify compounds of interest

59. ©2016 Waters Corporation 59
Panax ginseng
Ginsenoside Rf
Ginsenoside Rb2
Ginsenoside Ra1/Ra2
Panax quinquefolius
Gypenoside X VII
Ginsenoside Re
Pseudoginsenoside F11
Panax notoginseng
Notoginsenoside R4
Notoginsenoside R1
Notoginsenoside R2
Notoginsenoside Fa
PCA Loadings Plot UNIFI library searching
Identified Markers
Results and Discussions:
Ginseng comparison study

60. ©2016 Waters Corporation 60
Summary and Conclusions
 Comprehensive options for complete characterisation of
complex ingredients and foods
– UPLC, UPC2, APGC, MS, MS/MS, QTOF-MS
– DART, ASAP, DESI and REIMS
 Mass Spectrometry based methods provide
– Increased confidence in results
– Accurate mass precursor and fragment data using HRMS
 Progenesis for multivariate analysis workflows
– Guides users through processing steps
– Incorporates visualisation tools & database search capabilities
– Structural elucidation
 Broad toolset for identifying markers of authenticity and
determining unexpected food fraud

61. ©2016 Waters Corporation 61
Thank you!!