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The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate AnalysisMarian Twohig1, Antonietta Gledhill2, and Jennifer Burgess1
1Waters Corporation, Milford, MA, USA and 2 Waters Corporation, Manchester, UK
IN T RO DU C T IO N
The verification of food sources and authenticity is an activity that has increased
in importance over the last decade. The adulteration of food and beverages
has emerged as a growing problem that can pose potential threats to the health
of consumers and to the integrity of the industry1. Economic adulteration and
other types of counterfeiting in the food and consumer products industries are
estimated to cost between $10 and $15 billion USD per year.2
There are different types of adulteration that can occur, as illustrated in
Figure 1. While some types can be harmful to health3 (melamine is a good
example of this); others can be very misleading to the consumer – especially
if they believe the product is beneficial for certain health conditions. To date,
reported cases of fruit juice adulteration primarily include the addition of high-
fructose corn syrup (HFCS) or blending with other fruit juices.
Figure 1. Flow diagram showing various ways of food adulteration.
Dilution
Adulteration
SubstitutionUnapprovedenhancement
Failing todisclose
CounterfeitMislabeling
WAT E R S SO LU T IO NS
ACQUITY UPLC® System
ACQUITY UPLC PDA eλ Detector
Xevo® G2 QTof MS
MarkerLynx™ XS Application Manager
MassFragment™ Software
ACQUITY® HSS T3 Columns
K E Y W O R D S
Pomegranate, MVA, juice profiling,
adulteration, chlorogenic acid, food
authentication, arils, pulp
A P P L I C AT IO N B E N E F I T S ■■ Provides juice chemists with a powerful
system solution to comprehensively research
existing and new juice product prototypes
in a fast-paced marketplace.
■■ Allows easy and rapid differentiation
between authentic and adulterated
pomegranate juice samples.
■■ Multivariate statistical analysis (MVA)
enables visualization and interpretation
of complex MS data sets.
■■ QTof MS provides simultaneous accurate
mass information, for both the precursor
and fragment ions in a single injection.
Consumer demand for some fruit juices, such as pomegranate juice, has increased
significantly in recent years as clinical studies indicate that there may be positive
health benefits associated with the consumption of the fruit and the juice form.
These health benefits include the prevention against cancer and cardiovascular
disease.4-7 For this reason, pomegranate juice has gained a reputation for being
a super fruit – with demand often exceeding supply. As a result, the practice of
adulterating pomegrantite juice with lower quality juices has become prevalent.8
2The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
One of the issues the fruit juice industry faces is in the research and development
of new and exotic juice varieties. While many of the common fruit juices that have
been in the marketplace for many years are analytically well documented and
studied, this is not always the case for the newer juices that are now available.
For these types of products, there is a need for sophisticated testing methods to
help authenticate ingredients and finished products.
In this application note, we illustrate how the combination of Waters® Ultra
Performance Liquid Chromatography (UPLC®) System for high-resolution
separations, ACQUITY UPLC Photodiode Array (PDA), eλ Detector, and accurate
mass Xevo G2 QTof MS, with the appropriate chemometric software tools, allow
easy and rapid differentiation between authentic and adulterated pomegranate
juice samples.
Data analysis
Data analysis and trending were performed using MarkerLynx XS Application
Manager, which enables the user to perform multivariate analysis (MVA). Spectral
interpretation used EleComp, ChemSpider, and MassFragment Software to help
identify the structures of unknown marker compounds.
R E SU LT S A N D D IS C U S S IO N
All samples were analyzed using UPLC, PDA, and QTof MS. Typical chromatograms
are shown in Figure 2. Replicate injections of the pomegranate samples (in
random sequence order) were used to ensure that any experimental trends
observed were directly associated to the sample.
Figure 2. UPLC/PDA/QTof-MS chromatograms from the analysis of a pomegranate juice sample.
E X P E R IM E N TA L
Sample description
A description of the pomegranate samples is
provided in Table 1.
Name Sample description Sample type
S1 Study sample – Adulterated Juice
S2 Study sample – Authentic Juice
S3 Study sample – Adulterated Juice
S4 Study sample – Authentic Juice
S5 Study sample – Unknown history
Juice
S6 Purchased-Blend Juice
Whole fruit Three whole pomegranates
Skin, arils, pulp
Table 1. Description of the pomegranate samples used for the analysis.
Pomegranate samples
Juice samples: Three pomegranate juice concen-
trate samples were obtained from a collaborator:
one authentic (S2) and two adulterated (S1 and
S3). Commercially available pomegranate juice
samples were also included in the experiment
(S4-S6). Consultation with industry experts
confirm that the sample labeled S4 is believed
to be 100% authenticpomegranate juice.
The juice concentrates were made up to single
dose (160 Brix). One degree Brix is one-gram of
fruit soluble solids in 100 grams of solution, and
thus represented the strength of the solution as a
percentage by weight (% w/w). All samples were
centrifuged, filtered, and diluted before analysis.
Pomegranate fruit: Whole fruit pomegranates
were dissected into three components: arils, pulp,
and skin. Each component was homogenized,
centrifuged, and filtered before analysis.
UPLC conditions LC system: ACQUITY UPLC
Column: ACQUITY® HSS T3,
2.1 x 100 mm, 1.8 μm
Column temp: 45 ˚C
Time1.00 2.00 3.00 4.00 5.00 6.00 7.00
%
1
1.00 2.00 3.00 4.00 5.00 6.00 7.00
%
1
1.00 2.00 3.00 4.00 5.00 6.00 7.00
AU
0.0
2.0e+1
4.0e+1
24_11_0361.14
4.514.20
3.51
4.86
24_11_036
BPI4.63e3
5.35
4.531.22
4.223.53
1.43 2.35
4.88
6.18
5.937.76
24_11_0361: TOF MS ES-
BPI3.82e4
5.35
1.22
4.533.531.79
6.44
5.93 6.72
24_11_036 4: Diode Array Range: 5.921e+1
24_11_0362: TOF MS ES-
24_11_036
2A: PDA -total wavelength
2B: QTof MS - High CE
2C: QTof MS - Low CE
3The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
UPLC conditions (cont.)
Flow rate: 0.4 mL/ min
Mobile phase A: 10 mM Ammonium
acetate in water
Mobile phase B: Acetonitrile
UPLC gradient:
Time (min) % Age A % Age B
0.00 99 1
0.75 99 1
2.00 95 5
3.00 95 5
6.50 45 55
8.50 10 90
9.00 10 90
9.10 99 1
UV conditions
Detector: ACQUITY UPLC
PDA Detector
Range: 210 to 500 nm
Sampling rate: 20 pts/s
Filter constant: 0.1
MS conditions
MS System: Xevo G2 QTof
Ionization mode: ESI negative (ESI-)
Analyzer mode: Resolution
Capillary voltage: 2.0 kV
Cone voltage: 25 V
Desolvation temp.: 450 ˚C
Desolvation gas: 900 L/Hr
Source temp.: 130 ˚C
MSE
Low energy CE: 4 eV High energy CE: 15 to 45 eV
Acquisition range: 50 to 1200 m/z
Scan time: 0.1 sec
Lock mass reference: Leucine enkephalin
Data from the Xevo G2 QTof MS provided simultaneous accurate mass
information, for both the precursor and fragment ions in a single injection. Two
separate functions from the MS were produced. It is this spectral information that
enables potential structural identification of unknown marker compounds.
The low collision energy chromatogram shown in Figure 2C provided the exact
mass precursor ion information, and the high collision energy, shown in Figure 2B
gave the exact mass fragment ion data. The ability to cycle between low and high
collision energy to obtain both precursor and fragment ion information within one
analysis is a unique feature of the Waters QTof MS systems – this capability
is called MSE.
The MS data were interpreted using a Multivariate Approach (MVA) using the
MarkerLynx XS Application Manager. The software performs automatic data
integration and alignment to generate Exact Mass Retention Time (EMRT) pairs.
These EMRT pairs can then be used for multivariate statistical analysis to enable
visualization and interpretation of complex MS data sets.9 The complete software
workflow used in these experiments is described in Figure 3.
Figure 3. Pomegranate juice profiling workflow.
UPLC and Xevo G2 QTof:High resolution chromatographic separation
High sensitivity and accurate mass
MS/MS measurement:Acquire standards and compare standard results with samples
MassFragment:Evaluate proposed structure and searched compound
MSE and ChemSpider:Structual elucidation of identified marker compounds
MarkerLynx XS:Process and extract peaks
Use chemometrics to ID marker compounds
4The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
Figure 4 shows the six juice samples interpreted using Principal Component Analysis (PCA). The scores
plot helps to visualize the patterns, trends, and similarities between samples. Each point in the scores plot
represents a single injection. The repeat injections of each sample set are very close, indicating
good repeatability.
Figure 4. The scores plot obtained on analysis of six of the pomegranate juice samples using UPLC/QTof-MA MS data. (Each color represents a sample, and each sample was injected six times).
-800
-700
-600
-500
-400
-300
-200
-100
0
100
200
300
400
500
600
700
800
-1200 -1100 -1000 -900 -800 -700 -600 -500 -400 -300 -200 -100 0 100 200 300 400 500 600 700 800 900 1000 1100 1200
t[2]
t[1]
S1S2S3S4S5S6
S6S6S6S6S6S6S6S6S6
S5S5S5S5S5S5S5S5
S4S4S4S4S4S4S4
S3S3S3S3S3S3
S3
S2S2S2S2S2S2S2S2S2
S1S1
S1S1S1S1S1S1
EZinf o 2 - untitled67 (M4: PCA-X) - 2011-05-08 21:07:12 (UTC-5)
Scores Comp[1] vs. Comp[2] colored by Sample Group
S6S6S6S6S6S6S6S6S6
S5S5S5S5S5S5S5S5
S4S4S4S4S4S4S4
S3S3S3S3S3S3
S3
S2S2S2S2S2S2S2S2S2
S1S1
S1S1S1S1S1S1
Authentic juice
Juice Blend
Adulterated juice
Pomegranate juice (unverified
authenticity)
5The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
To explain the relationship between the potential markers (EMRTs) and relate these to the score plots, one
approach (when looking at multiple samples) is to use a loadings plot, as shown in Figure 5. It is then possible
to highlight EMRT’s in the loadings plot and track their abundance using a variable trend plot.
Using both the loadings plot and the variable trend plot, it can be seen that two EMRTs, with m/z 353.0868
at retention times (Rts) 3.18 and 4.34 min are absent in the known authentic samples (S2 and S4), and S5
(a sample of unverified authenticity), as shown in Figure 6.
-2000
0
2000
4000
6000
8000
S3 S3 S3 S3 S3 S3 S2 S2 S2 S2 S2 S2 S2 S2 S2 S1 S1 S1 S1 S1 S1 S1 PW PW PW PW PW PW PW NSI
NSI
NSI
NSI
NSI
NSI
NSI
NSI
LW LW LW LW LW LW LW
3.16
_353
.086
8
Sample Group
Authentic Juice
S6S3 S1
S4 S5
A: 3.18_353.0868
Juice Blend
S2
Figure 5. Loadings plot obtained from the analysis of the for the six pomegranate juice samples (UPLC/QTof-MS data): Each symbol in the loadings plot represents a single EMRT pair: where 4.34 is retention time and 353.0867 is the exact mass (m/z).
Figure 6. Variable trend plots for two possible markers (with m/z 353.0868) at Rt 3.18 min (A) and Rt 4.34 min (B).
-0.1
0.0
0.1
0.2
0.0 0.1 0.2 0.3
p[2]
p[1]
Loadings Comp[1] vs. Comp[2]
EZinf o 2 - Neg_Pomegranate_juice_data_N6_samples1 (M17: PCA-X) - 2011-03-24 11:05:45 (UTC-5)
3.18_353.0868
4.34_353.0867
0
1000
2000
3000
S3 S3 S3 S3 S3 S3 S2 S2 S2 S2 S2 S2 S2 S2 S2 S1 S1 S1 S1 S1 S1 S1 PW PW PW PW PW PW PW NSI
NSI
NSI
NSI
NSI
NSI
NSI
NSI
LW LW LW LW LW
4.34
_353
.086
4
Sample Group
Authentic Juice
S6S3
S1
S4 S5
B: 4.34._353.0868
S2
Juice Blend
6The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
Identification of chlorogenic acid
The presence of these two EMRT pairs at Rts 3.18 and 4.34 min was clearly evident in the deliberately
adulterated juice samples and the juice blend. The elemental composition for both components was determined
to be C16H17O9. Searching the formula in ChemSpider (an online database) proposed chlorogenic acid as the
top hit. Following the workflow described in Figure 3, MassFragment Software was used to determine whether
the fragments seen in the MSE data matched possible fragments for this compound. The results indicated that
chlorogenic acid matched well.
To confirm the identity of this potential marker, a standard of chlorogenic acid was analyzed and this standard
eluted at a retention time of 3.18 min, shown in Figure 7A, which was the same retention time as one of the
peaks in the samples, shown in Figure 7B.
Figure 7. Extracted ion chromatograms (m/z 353.0873) for chlorogenic acid [M-H]- in a standard (7A) and an adulterated pomegranate juice sample, S3 (7B). High CE MSE spectra for standard (7C), and sample (7D) are also shown.
Time2.00 4.00 6.00
%
0
100
2.00 4.00 6.00
%
0
1002_12_031 1: TOF MS ES-
353.087 0.0030Da1.04e4
3.18
2_12_035 1: TOF MS ES- 353.087 0.0030Da
1.04e43.18
4.34
Time2.00 4.00 6.00
%
0
100
2.00 4.00 6.00
%
0
1002_12_031 1: TOF MS ES-
353.087 0.0030Da1.04e4
3.18
2_12_035 1: TOF MS ES- 353.087 0.0030Da
1.04e43.18
4.34
Chlorogenic acid Extracted ion
chromatogram
Adulterated juiceExtracted ion
chromatogram
Chlorogenic acidMSE spectrum
Adulterated juiceMSE spectrum
C16H17O9 0.1 mDa,0.4 PPM
A
B
C
D
7The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
The UV spectra of the standard chlorogenic acid and the peak in the sample were compared. The UV spectra taken
across the entire peak width was inconclusive due to co-elution of other compounds in the samples. The MS data
was then investigated and the low energy precursor ions and high energy fragment exact mass ions provided
excellent confirmation that the component at Rt 3.18 min was chlorogenic acid, as shown in Figures 7C and 7D.
The MSE data for the component at Rt 4.34 min revealed that while it shared some common fragments with
chlorogenic acid, it also showed additional fragments. This suggests that this component may be a possible
isomer of chlorogenic acid (data not shown).
A closer look at the adulterated samples (S3 and S1) and the juice blend (S6), show that they all contain
chlorogenic acid (m/z 353.0873 at 3.18 min) and possible isomers at 4.34 min and 3.09 min.
Analysis of other fruit juices showed that chlorogenic acid was also identified in authentic peach, cranberry,
and blueberry juice samples (data not shown).
Eleven additional pomegranate juice samples, all claiming to be made from 100% authentic pomegranate
juice or juice concentrate were purchased and analyzed. The LC/MSE data revealed the presence of chlorogenic
acid in five of the samples tested. Two of those five samples were made from imported juice and juice
concentrate from Turkey. Poyrazoglu et.al have reported the presence of chlorogenic acid in 13 different
pomegranate varieties from four growing regions in Turkey using LC/UV.10
Whole fruit experiments
Experiments were then performed on whole fruit samples to determine whether chlorogenic acid is present in
pomegranate. Three whole fruit pomegranates (all believed to be grown in North America) were purchased and
dissected into three components: arils, pulp, and skin. The pomegranate segments were extracted and analyzed.
Using the same analytical conditions as for the juice, chlorogenic acid could not be found in any part of the
pomegranates, as shown in the extracted ion chromatograms in Figure 8.
Time2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2_12_0313.18
4.33
2_12_005 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_004 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_003 1: TOF MS ES- 353.073 0.0030Da
2.59e3
0.79
Skin
Pulp
Arils
Time2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2_12_0313.18
4.33
2_12_005 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_004 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_003 1: TOF MS ES- 353.073 0.0030Da
2.59e3
0.79Time
2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
2.00 4.00 6.00 8.00
%
0
100
%
0
100
2_12_031
2_12_005 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_004 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_003 1: TOF MS ES- 353.073 0.0030Da
2.59e3
0.79
8.000
8.00
2_12_031
2_12_005 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_004 1: TOF MS ES- 353.087 0.0030Da
2.59e3
2_12_003 1: TOF MS ES- 353.073 0.0030Da
2.59e3
Chlorogenicstandard
acid
Figure 8. Extracted ion chromatograms (m/z 353.0873) of a chlorogenic acid standard, and the skin, pulp and arils, of a whole pomegranate.
8The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
These additional experiments suggest that North American pomegranates (grown and harvested during
this time) do not contain any detectable amount of chlorogenic acid. It also suggests that the presence of
chlorogenic acid in North American pomegranate juice may indicate the blending of other juices. To further
understand the detection of chlorogenic acid in pomegranate varieties from different regions, a much broader
mass spectrometric study is warranted.
EMRT 3.43_353.1448
Another EMRT of interest, 3.43_353.1448 was also investigated using the same workflow as described
previously. The elemental composition was determined to be C14H26O10. The extracted ion chromatograms
of this m/z from the juice samples used in the study revealed it to be present in all pomegranate samples but
at varying concentrations. For the juice blend (S6), it was present at a low level, as shown in Figure 9.
However for the authentic juices, the levels were higher with the highest levels found in the authentic
pomegranate juice (S2).
0
20
40
60
80
100
120
140
160
S1 S2 S3 S4 S5 S6
3.43_353.1448
Figure 9. Variation of the levels of component 3.43_353.1448 in the pomegranate juice samples.
9The Determination of Fruit Juice Authenticity Using High Resolution Chromatography, UV, Time-of-Flight MS, and Multivariate Analysis
Extracted ion chromatograms of m/z 353.1448 in the whole fruit extracts (arils, pulp, and skin) shown in
Figure 10A, revealed that this marker was only present in the arils, and that it was present in the arils of all
three pomegranates, shown in Figure 10B.
Figure 10A. Extracted ion chromatograms for marker 3.43_353.1448 in the arils, pulp and skin of a whole pomegranate. Figure 10B. The marker was found in the arils of all pomegranates used in the study.
The uniqueness of this compound to pomegranate, and only within the arils of pomegranate suggests
that it could be a valuable marker for the quality of pomegranate juice. However, additional
experiments are required to identify this compound and study the seasonal, varietal, and geographical
variations of the compound.
Summary of the results
Chlorogenic acid was absent in the authentic pomegranate juices analyzed in this study. Similarly
it was not found in three whole fruit pomegranates.the adulterated samples used in this study,
chlorogenic acid and two possible isomers were found to be present. This compound could, therefore
be a potential marker compound for determining pomegranate juice authenticity.
Time2.00 4.00 6.00
%
0
100
2.00 4.00 6.00
%
0
100
2.00 4.00 6.00
%
0
100
2_12_0031: TOF MS ES-
353.145 0.0050Da2.44e4
3.43
2_12_0041: TOF MS ES-
353.145 0.0050Da2.44e4
2_12_0111: TOF MS ES-
353.145 0.0050Da2.44e4
Arils
Pulp
Skin
Time2.00 4.00 6.00
%
0
100
2.00 4.00 6.00
%
0
100
2.00 4.00 6.00
%
0
100
1: TOF MS ES- 353.145 0.0050Da
2.44e43.43
2_12_009 1: TOF MS ES- 353.145 0.0050Da
2.44e4
3.43
28_2_023 1: TOF MS ES- 353.145 0.0050Da
2.44e4
3.43
Arils fraction Pomegranate 1
Arils fraction Pomegranate 2
Arils fraction Pomegranate 3
A B
Waters Corporation 34 Maple Street Milford, MA 01757 U.S.A. T: 1 508 478 2000 F: 1 508 872 1990 www.waters.com
References
1. Roberts MT. Cheaters Shouldn’t Prosper and Consumers Shouldn’t Suffer: The Need for Government Enforcement Against Economic Adulteration of 100% Pomegranate Juice and Other Imported Food Products. Michael T. Roberts is Special Counsel for Roll Law Group PC. (2010).
2. Kearney AT and Grocery Manufacturers Association. Consumer Product Fraud: Deterrence and Detection, (2010).
3. Vai T, Jones PR, Sparkman OD . Rapid and unambiguous identification of melamine in contaminated pet food based on mass spectrometry with four degrees of confirmation. J. Anal. Toxicol. (2007) 31, 1319-1325.
4. Seeram NP et al. In vitro antiproliferative, apoptotoic and antioxidant activities of punicalagin, ellagic acid, and a total pomegranate tannin extract are enhanced in combination with other polyphenols as found in pomegranate juice. J Nutr Biochem. 16, 6:360-7, 2005.
5. Mehta RE, Lansky EP. Breast cancer chemopreventive properties of pomegranate ( Punica granatum) fruit extracts in a mouse mammary organ culture. Eur J Cancer Prev.13, 4:345-8, 2004.
6. Lansky EP et al. Pomegranate ( Pumica granatum) pure chemicals show possible synergistic inhibition of human PC-3 prostate cancer cell invasion across Matrigel. Invest New Drugs.23, 2:121-2, 2005.
7. Aviram M et al. Pomegranate juice consumption for 3 years by patients with carotid artery stenosis reduces common carotid intima-media thickness, blood pressure and LDL oxidation. Clin Nutr. 23, 3:423-33, 2004.
8. Zhang Y, Krueger D, Durst R, Lee R, Wang D, Seeram N , Heber D. International multidimensional authenticity specification (IMAS) algorithm for the detection of commercial pomegranate juice adulteration. J. Agric. Food Chem. 2009, 57, 2550-2557.
9. Eriksson L. Book “Multi- and Megavariate Data Analysis: Basic Principles and Applications”, 2nd edition, 2008.
10. Poyrazoglu E, Gokmen V, Artuk N. Organic acids and phenolic compounds in pomegranates (punica granatum) grown in Turkey. J. Food. Comp. Anal. (2002) 15, 567-575.
CO N C LU S IO NS
Economic adulteration of food and beverage products is a problem
that has increased in magnitude because it has a lucrative outcome
for unscrupulous members of the food manufacturing chains.
■■ Consumer demand for more exotic juices introduces analytical
challenges for juice chemists.
■■ The ACQUITY UPLC System, ACQUITY UPLC PDA Detector, and
Xevo G2 QTof MS, combined with a complete software workflow
based on Markerlynx XS functionality, provide a powerful
system solution for the analysis and determination of fruit juice
authenticity in a research laboratory. Here these tools enabled
the detection of compounds that have the potential to be used as
indicators of a product’s authenticity.
■■ The ACQUITY UPLC System provides high resolution
chromatographic data for complex samples such as
juice products.
■■ The ACQUITY UPLC PDA Detector and Xevo G2 QTof MS are
complementary instruments for this type of analysis. This
combination allows juice chemists to comprehensively research
existing and new juice product prototypes in a fast-paced
marketplace.
■■ MSE functionality allowed the acquisition of low energy
precursor (MS) and high energy product ions in a single run. The
fragment data together with exact mass measurement provided
added confidence and accuracy for structural elucidation.
■■ Intelligent analytical methods, such as the MarkerLynx XS
profiling workflow presented in this application note, provide
reliable and highly detailed information that can help in the
process of food authentication.
Waters, ACQUITY UPLC, ACQUITY, UPLC, and Xevo are registered trademarks of Waters Corporation. MarkerLynx, MassFragment, and The Science of What’s Possible are trademarks of Waters Corporation. All other trademarks are the property of their respective owners.
©2011 Waters Corporation. Produced in the U.S.A. August 2011 720004010EN AO-PDF