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Article ID: WMC00662 2046-1690

Analysis of Volatile Omponents In Rhizome

Zingibers, Zingiber Officinale Roscoe And Ginger

Peel By Gas Chromatography-Mass Spectrometry

And Chemometric ResolutionCorresponding Author:

Mr. Xiao-Ru Li,Professor, College of Chemistry and Chemical Engineering, Central South University, Changsha - China

Submitting Author:

Mr. Yu He,

Professor' Assistant, College of Chemistry and Chemical Engineering, Central South University, Changsha -

China

Article ID: WMC00662

Article Type: Research articles

Submitted on:20-Sep-2010, 08:21:11 AM GMT Published on: 20-Sep-2010, 04:38:09 PM GMT

Article URL: http://www.webmedcentral.com/article_view/662Subject Categories:CHINESE MEDICINE

Keywords:Heuristic Evolving Latent Projections (HELP), Volatile Constituents, GC-MS,

Temperature-Programmed Retention Indices (PTRIs)

How to cite the article:He Y , Li X . Analysis of Volatile Omponents In Rhizome Zingibers, Zingiber Officinale

Roscoe And Ginger Peel By Gas Chromatography-Mass Spectrometry And Chemometric Resolution .

WebmedCentral CHINESE MEDICINE 2010;1(9):WMC00662

Source(s) of Funding:

This work is financially supported by the National Nature Foundation Committee of PR China (Grant Nos.

20235020 and 20475066) and the Cultivation Fund of Key Scientific and Technical Innovation Project, Ministry of

Education of China (No. 704036).

Competing Interests:

None

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Analysis of Volatile Omponents In Rhizome

Zingibers, Zingiber Officinale Roscoe And Ginger

Peel By Gas Chromatography-Mass Spectrometry

And Chemometric ResolutionAuthor(s): He Y , Li X

Abstract

The similarities and differences of essential oil

components in rhizome zingibers(RZ)?zingiber

officinale roscoe(ZOR) and ginger pee(GP) were

investigated by GC-MS combined with a chemometricmethod named heur is t ic evo lv ing la tent

projections(HELP).And temperature-programmed

retention indices(PTRIs) was used together with mass

spectra for identification of the essential oil

components. For essential oils of RZ, ZOR and GP, 85,

81 and 80 volatile components were determined

representing 81.43%, 86.38% and 84.79% of the total

relative content, respectively. Also, the essential oils

significantly differed both qualitatively and

quantitatively. There were total 58 common

compounds existing in RZ and ZOR, 63 common

components between RZ and GP, 60 commoncomponents between ZOR and GP, and 52 common

components existing among each of the three systems.

The results obtained may be helpful to the further

study of pharmacological activity for their potential

utilization as therapeutical agents.

Introduction

1. Introduction

Tradition Chinese medicines have gained more and

more popularity in our modern society because of their

pharmacological activity and low toxicity, which makes

them widely used in food and medicine regions. Low

toxicity, rare complications and nature are their

advantages. Only after further research can we utilize

full of their values, then the development of

hyphenated chromatographic device combined with

Chemometric methods give us the opportunity to

acknowledge their essential components and exactly

qualify and quantify our targets.

The herbal materials rhizome zingibers(RZ) zingiber

officinale roscoe(ZOR) and ginger peel(GP) are widely

used in the region of food industry, which could

improve appetite and aid digestion combined with the

functions of Refreshing and Antibacterial

anti-inflammatory. In traditional Chinese medicine

research, they also play an important role, with the

pharmacological activities of relieving rheumatism and

cold, keeping warm and antiemetic. The RZ, ZOR and

GP are contained in the medicine against Cold,

Stomach pain and Diarrhea etc.

The RZ comes from the dry rhizome of ginger, ZOR is

the fresh rhizome, and GP is the scarfskin of fresh

rhizome of ginger. Previous investigations and

researches have showed that volatile components are

their main medicinal elements which contains

Zingiberene, Gingerol and Citral and so on.

In this paper, the volatile components extracted were

detected with gas chromatography-mass spectrometry

(GC-MS). However, the GC-MS data from volatile oil

involves a great number of overlapped and even

embedded peaks. These overlapped and embedded

peaks may bring about many difficulties when carryingout quantitative and qualitative analysis correctly. In

order to resolve the problems, chemometric methods

as a very useful assistant tool, use comprehensive

chromatographic and spectral information to make it

possible to resolve one complex system clearly and

accurately. The resolution of the two-dimensional data

by chemometric method heuristic evolving latent

projections (HELP) is applied in this study. Then,

qualitative identification of these constituents was

performed using temperature-programmed retention

indices (PTRIs) and mass spectra. Finally, every

component was quantized with the total volumeintegral method. Through the procedures above, we

could compare the same and distinction of volatile

components in RZ, ZOR and GP and supply

foundation for their further application in regions of

food and medicine.

Methods

2. Theory

A two-dimensional data Am×n produced by GC–MS

can be represented as follows:





Am×n= CSt+E

=∑CiSit+E (i=1, 2… N)

Where Am×n denotes an absorbance matrix

expressing N components of m chromatographic scan

points at n atom mass units or wavelength points. C isthe pure chromatographic matrix and S is the pure

mass spectral matrix. E represents the noise. t is the

transform of matrix S. The unique resolution of a

two-dimensional data into chromatograms and spectra

of the pure chemical constituents is carried out with

local full rank analysis in the HELP method. Only

concise theoretical explanation is showed here for the

sake of brevity, while detail description could be found

in Refs. [1–3].

1. Confirm the background and correct a drifting base

line.

2. Determine the number of components, the selective

region and zero-component region of each component

by the use of the evolving latent projective graph and

rankmap on the basis of the eigenstructure tracking

analysis.

3. With the help of the selective information and

zero-component region, conduct a unique resolution of

two-dimensional data into pure chromatographic

profiles and mass spectra by means of local full rank

analysis.

4. Verify the reliability of the resolved result.

After the pure chromatogram and spectrum of the ith

component have been resolved, this component can

be determined qualitatively by comprehensive use of

the chromatographic retention time and mass

spectrum. Next, the term in Eq. (1) is taken as the

overall volume integration value. Similar to the general

chromatographic quantitative method with peak area,

is directly proportional to the mass of the ith

component and so it is quantified.

3. Experimental

3.1 Materials

All single herbals were purchased from the market and

identified by Institute of Materia Medica, HunanAcademy of Traditional Chinese Medicine and Materia

Medica (Changsha, Hunan, China). n-Alkane standard

solutions of C8–C20 (mixture no. 04070) and

C21–C40 (mixture no. 04071) were purchased from

Fluka Chemika (Buchs,Switzerland).

3.2 Extraction of volatile oil

Extraction of volatile oil of the herbal: 50g of each

dried single herbal, RZ, ZOR and GP, were weighted

exactly and mixed with 350ml distilled water and then

processed according to the standard extracting

method for the volatile oil described in Chinese

Pharmacopoeia (2005 version).3.3 Instruments

The GC-MS instrument was QP2010 with a QP-5000

mass spectrometer (both from Shimadzu) employed in

this study.

3.4 Detection of volatile oil

In the gas chromatographic system, a DB-1 capillary

column (30m×0.25mm I.D.) was applied. The original

column temperature was maintained at 50 degrees for

3min, then programmed from 50 degrees to 150

degrees at the rate 5 degrees/min, and from 150

degrees to 190 degrees at the rate 2 degrees/min, and

from 190 degrees to 250 degrees at the rate 10

degrees/min, finally maintained for 3min. The inlet

temperature was kept at 270 degrees and interface

temperature at 250 degrees. The carrier gas was

Helium with a constant flow-rate of 1.0ml/min. To the

experimental conditions of the mass spectrometer, the

electron impact (EI+) mass spectra was recorded at70 eV. Splitting ratio was 10:1. Scan at 5scan/s from

m/z 35 to 500 amu. The ionization source temperature

was set at 200 degrees.

3.5 Retention indices

Van den Dool and Kratz[19] proposed a quasi-linear

equation for temperature- programmed retention

indices as follows:

ITX = 100n+ 100 [ ( tRx - tRn ) / ( tR ( n + 1) -tRn ) ]

Where ITX is the temperature-programmed retention

index of the interest, tRn, tR (n + 1), tRx are the

retention time in minute of the two standard n-alkanes

containing n and n+1 carbons and the interest,respectively. This equation was used to calculate

retention indices in the research work. It could improve

distinguishing components, especially those very

similar.

3.6 Data analysis

A l l d a t a a n a l y s i s w a s p e r f o r m e d o n

Celeron®2.66GHz(Intel) personal computer, and all

programs of chemometric resolution methods were

coded in MATLAB 6.5 for windows. The library

searches and spectral matching of the resolved pure

components were conducted on the National Institute

of Standard and Technology (NIST) 107 MS databasecontaining 107886 compounds. The exactly qualitative

results were obtained with the help of PTRIs.

Results

4.Results and discussion

4.1 Resolution of overlapped peaks by HELP

The Fig.1 shows the real total ionic chromatogram

(TIC) of the volatile oil of RZ (a) ZOR (b) and GP (c).

We can see each of the TICs is a very complex

analytical system. Although many chromatographic





peaks are separated, here still exist some overlapped

peaks. Due to these, if you directly search with the MS

database, definitely fail you will get, because the mass

spectrum of mixtures measured can never get good

matching index with that of a pure component in the

NIST MS database. Furthermore, for the component

with low content, it is also very difficult to be identified

correctly with the NIST MS database, since a

two-dimensional data obtained by mass spectral

measurement unavoidably contains peaks associated

with column background and residual gases. Without

background correction, both the resolution of the

overlapped peaks and the identification of the

components with low content are impossible. For

commercial GC–MS systems, background subtraction

is usually performed as follows. First, a scan point,

which only contains the background mass spectrum, issubjectively found. Next, the intensities of the same

inter mass numbers appearing in the target and

background spectra are subtracted, and so the

practical target mass spectrum is obtained. Obviously,

the practical target mass spectrum strongly depends

on the selection of the background point. If this

selection is wrong, different target mass spectra may

be obtained. The genuine mass spectrum to be

searched is surely confused with the subtracted

spectrum. As for the HELP method, the local rank

analysis of the zero-component regions, which contain

no components eluting, before elution of the firstchemical component starts and after the last chemical

constituent has eluted, can together provide sufficient

information for accurately correcting a drifting baseline

[1–3]. Hence, a much better background subtraction

could be obtained. After background subtraction, the

resolution of the overlapping peaks becomes possible.

To illustrate how to extract the pure mass spectra

efficiently by HELP resolution, the peak clusters

marked A,B and C are chosen as examples and then

processed by HELP.

Fig.2 shows the TIC curve of the peak cluster A which

looks like a pure peak only containing one constituent.L i k e w i s e , o n l y o n e c o m p o u n d n a m e d

beta.-Phellandrene (C10H16) can be searched in the

NIST MS library. Therefore, peak cluster A is generally

regarded as a one-compound system in a classic

analytical way. However, if HELP resolution method is

applied to the two-dimensional data matrix of peak

cluster A, three distinct components named Eucalyptol

(C10H18O), beta.-Phellandrene (C10H16) and

D-Limonene(C10H16)can be resolved even they have

quite similar mass spectra. Detail procedures would be

introduced in the following part.

Peak purity can be identified through a fixed size

moving window evolving factor analysis (FSWMEFA)

[7] or so-called eigenstructure tracking analysis [3]. In

the fixed size window method (FSWM) plot, the noise

level is characterized by eigenvalue curves which

have similar numerical values and appears together at

the bottom. Eigenalue curves higher than the noise

level represent the appearance of new components. If

a studied system contains only one species, there is

only one eigenalue curve higher than the noise level in

its FSWM plot. From the FSWM plot of peak cluster A

shown in Fig. 3, there are four eigenvalue curves

higher than the noise level within the peak region. We

can conclude that the peak A may not be a pure one.

Furthermore, after a special pretreatment described in

Ref. [8] is conducted, the new result are shown in

Fig.4 from which one could conclude that the region of

i is the pure area of the first component, the region of ii

is the overlapping region of the first and secondcomponents, the same to the region iii overlapped by

the second and third components, lastly the region of

IV is the pure region of the third component.

The stepwise eluting information of chemical

components in peak cluster A can be further confirmed

by evolving latent projection graph (ELPG) [1–3]. This

technique is based on the use of ordered nature of

hyphenated data and that the selective regions appear

as straight-line segments in bivariate score plots of

principal component analysis. Thus, the ELPG is

essentially a principal component projective curve

from chromatographic or spectral spaces. There are afew advantages to use the ELPG: (i) In a bivariate

score plot a straight line segment pointing to the origin

suggests selective information in the retention time

direction, while in a bivariate loadings plot a straight

line segment pointing to the origin suggests selective

information in the spectral direction. The concept of

"straight line" here is, of course, under sense of least

squares; (ii) The evolving information of the

appearance and disappearance of the chemical

components in retention time direction can be also

provided in ELPG. In the ELPG from the

chromatographic space, the straight line sectionrepresents the pure selective region of one component

while the curving section denotes the overlapping

region of at least two constituents; (iii) Information

enabling the detection of shifts of the chromatographic

base line and instrumental background is also

provided in ELPG. If there is an offset in

chromatography the points cannot concentrate on the

origin in the plot even if one includes the

zero-component regions in data; (iv) ELPG is also a

very good diagnostic tool to identifying the embedded

peaks in chromatogram. This information is very

important for resolution of concentration profiles of

embedded peaks. The ELPG likes a data scope to see





the insight of data structure of the two-way data. Fig. 5

shows the ELPG of peak cluster A. From this plot, one

can see that this peak cluster is a three-component

system. The marks, say 1, 1+2, 2+3 and 3 in the plot,

indicate respectively the pure region of the first

component, the overlapping region of the first and

second components and the overlapping region of the

second and third components and the pure region of

the third component in the chromatographic direction.

This is consistent with the results obtained from the

FSWM plot after subtracting the heteroscedastic noise.

From the discussion above, the chromatographic

eluting order can be determined and so the number of

components in the system, the selective regions and

zero-concentration regions of all the constituents.

Because of all the acknowledged information, the

two-dimensional data matrix can be uniquely resolvedinto pure chromatographic profiles and mass spectra

of all components.

The qualitative of the chemical composition of the

sample determination can be directly performed by

means of similarity searches in the NIST mass library

now, as the pure chromatographic curve and mass

spectrum of each component have been resolved. The

result shows that these three components in peak

c l u s t e r A a r e E u c a l y p t o l ( C 1 0 H 1 8 O ) ,

b e t a . - P h e l l a n d r e n e ( C 1 0 H 1 6 ) a n d

D-Limonene(C10H16). Their corresponding

chromatographic curves are shown in Fig. 6, and theresolved mass spectra together with the standard

spectrum of each component from the NIST MS library

are also given in Figs. 7, 8 and 9.

From the resolved pure chromatographic peaks, it is

obvious that the first and the third component both

have a relatively small quantity in the whole system,

and the three peaks overlap seriously, additionally the

mass spectrums of the second and the third

component is a little similar. Because of these, if you

search directly in the mass-library, only the component

containing more would be found out, or a wrong result

appear. With the help of chemometric resolutionmethod called heuristic evolving latent projections

(HELP), the reliable and accurate results could be

obtained.

Likewise, Fig.10 shows the TIC curve of peak cluster

B, appears to be a mixed system of only two

constituents. Only two components named

Bicyclo[2.2.1]heptane-2,5-diol,1,7,7-trimethyl-,(2-endo,

5-exo)-(C10H18O2) and 2-Cyclohexen-1-ol,

1-methyl-4-(1-methylethyl)-, trans-(C10H18O)can be

directly matched in the NIST MS database. However,

f o u r i s o m e r i c c o m p o n e n t s w h i c h a r e

1 - M e t h y l - 3 - ( 1 - m e t h y c y c l o p r o p y l ) c y

clopentene(C10H16), Bicyclo[2.2.1]heptan-2-ol,

1,7,7-trimethyl-,exo-(C10H18O), 2-Cyclohexen-1-ol,

1-methyl-4-(1-methylethyl)-, trans-(C10H18O),

6-Octen-1-ol, 7-methyl-3-methylene-(C10H18O)can be

resolved by means of the HELP resolution method

with the procedure described above.

After the background is removed, the ELPG is plotted

in Fig.11, which suggests that the peak cluster B is

much complex than the peak cluster A. The marks,

say 1, 2, 4 in the plot, indicate respectively the pure

region of the first, the second and the third component,

and the marks 2+3,3+4 in the plot, indicate the

overlapping region of component 2 and 3 and the

overlapping region of component 3 and 4, respectively.

The FSWM plo ts a f ter cor rect ion o f the

heteroscedastic noises for peak cluster B are shown in

Figs. 12. The regions marks by i,ii,iii,IV,V and VI,

indicate the region of the pure component 1, theoverlapping region of components 1 and 2, the region

of the pure component 2, the overlapping region of

components 2 and 3, the overlapping region of

components 3 and 4 and the region of the pure

component 4, respectively.

The FSWM plot obtained after correcting the

heteroscedastic noise clearly shows that there are four

components in peak cluster B. After the eluting regions

of all components are determined the unique

resolution into chromatograms and mass spectra can

be then conducted on the two-dimensional data.

Figs.13—17 show the resolved results. These figuresdefinitely support the presence of four isomeric

components in peak cluster B.

And the TIC curve of peak cluster C is show in Fig.18,

relatively more complex systems containing 4

constituents named Bicyclo[2.2.1]heptan-2-ol,

1,3,3-trimethyl-(C10H18O), cis-2-Pinanol(C10H18O),

Bicyclo[2.2.1]heptane,2-methoxy-1,7,7-trimethyl-(C11

H 2 0 O ) a n d 6 - O c t e n - 1 - o l ,

7-methyl-3-methylene-(C10H18O) could obtained if

you search in the NIST database directly. However,

s i x i s o m e r i c c o m p o n e n t s w h i c h a r e

Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-(C10H18O),Isopulegol(C10H18O), cis-2-Pinanol(C10H18O),

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-,

e x o - ( C 1 0 H 1 8 O ) ,

2-Cyclohexen-1-ol,1-methyl-4-(1-methylethyl)-trans-(C

1 0 H 1 8 O ) a n d 6 - O c t e n - 1 - o l ,

7-methyl-3-methylene-(C10H18O)can be resolved by

means of the HELP resolution method with the

procedure described before.

Just like the sample shown above, the FSWM plots

after correction of the heteroscedastic noises for peak

cluster C are shown in Figs. 19. The regions marks by

i, ii, iii, IV, V, VI, ? and indicate the region of the pure

component 1, the overlapping region of components 1





and 2, the region of the pure component 2, the

overlapping region of components 2 and 3, the



overlapping region of components 5 and 6 and the

region of the pure component 6, respectively.

After the background is removed, the ELPG is plotted

in Fig.20, which suggests that the peak cluster C is

much complex than the formers. The marks, say 1, 2,

3, 6 in the plot, indicate respectively the pure region of

the first, the second, the third and the sixth component,

and the marks 3+4, 4+5, 5+6 in the plot, indicate the

overlapping region of component 3 and 4, the

overlapping region of component 4 and 5 and the

overlapping region of component 5 and 6, respectively.

Figs.21—27 show the resolved results about the

unique resolution into chromatograms and massspectra.

4.2 Qualitative analysis

Other peaks in the sample at other chromatographic

scan point were also qualified in the same way as

described above. The tentatively qualitative results of

constituents from RZ, ZOR and GP are displayed in

Table 1.

4.3 Quantitative analysis

Using the total volume integral method, the

quantitative results were calculated and also shown in

Table 1. In total, 85, 81 and 80 volatile components in

volatile oil of RZ, ZOR and GP were respectivelydetermined qualitatively and quantitatively, accounting

for 81.43%, 86.38% and 84.79% total contents of

volatile oil of RZ, ZOR and GP respectively.

4.4 Comparison of volatile components among RZ,

ZOR and GP

From the Table 1, there are total 58 common

compounds existing in RZ and ZOR, 63 common

components between RZ and GP, 60 common

components between ZOR and GP, and 52 common

components existing among each of the three systems.

It is obvious that the volatile oils in RZ, ZOR and GP

are nearly the same, only a little different. Becausethey come from a same herb, chemical properties and

active effects are very similar. However, the quantities

of common volatile oils in different systems are

different, it is useful to accurately qualify and quantify

them in food or medicine industries. Just like this

paper did.

Conclusion(s)

With the use of HELP resolution method upon

two-dimensional data combined with the abundant

mass spectral database, one can exactly analyze such

complex systems, like the traditional Chinese medicine

and natural herbs, further the accurate and reasonable

results could be obtained, and more constituents in a

special system can be qualified and quantified better.

This demonstrated that the combination of hyphenated

instruments and relevant chemometric methods opens

a new way for quick and accurate analysis of real

unknown complex samples. The method developed in

this paper can improve controlling quality of the

materials and help examining the value of products in

food industries and other regions.

Acknowledgement(s)

This work is financially supported by the National

Nature Foundation Committee of PR China (Grant Nos.

20235020 and 20475066) and the Cultivation Fund of

Key Scientific and Technical Innovation Project,

Ministry of Education of China (No. 704036).

Authors Contribution(s)

Yu He, Xiao-Ru Li*, Shao-Yin Liu, Shi-Rong Wang,

Bing-Xin Li, Yi-Zeng Liang

(Research Center of Modernization of Chinese Herbal

Medicine, College of Chemistry

and Chemical Engineering, Central South University,

Changsha 410083, P. R. China)

*Corresponding Author:

Dr. Xiao-Ru Li, Professor, College of Chemistry and

Chemical Engineering,

Central South University, Changsha 410083, P. R.

China

E-mail: [email protected]

Submitting Author:

Yu He, graduate student, College of Chemistry and

Chemical Engineering, Central South

University, Changsha 410083, P. R. China.

References

1. O.M.Kvalheim, Y.Z. Liang, Heuristic evolving latent

projections: resolving two-way multicomponent data.1.

Selectivity, latent-projective graph, datascope, local

rank, and unique resolution. [J]?Anal. Chem. 64 (1992)

936.

2. Y.Z. Liang, O.M.Kvalheim, H.R. Keller, D.L. Massart,

P.Kiechle, F.Emi. Heuristic evolving latent projections:Resolving two-way multicomponent data. Part 2:





Detection and resolution of minor constituents [J]?Anal.

Chem. 64 (1992) 946.

3. Y.Z. Liang, O.M.Kvalheim, A. Rahmani, R.G.

Brereton. Resolution of strongly overlapping two-way

multicomponent data by means of Heuristic Evolving

Latent projections. J.Chemon. 7 (1993) 15.

4. Pietta P G, Gardana C, Pietta A M. Analytical

methods for qua l i ty cont ro l propo l is [J ] .

Fitoerapia?2002, 73: 7-20.

5. Sticher O. Quality of Ginkgo preparations [J]. J.

Planta Medica, 1993, 59(1): 2-11.

6. The Chemical Society. J. Chem. Inf. Comp. Sci.,

1975, 15: 201.

7. H.R. Keller, D.L. Massart. Evolving factor analysis in

the presence of heteroscedastic noise[J]. Anal. Chem.

Acta , 246 (1991) 379.

8. H.R. Keller, D.L. Massart, Y.Z. Liang, O.M.Kvalheim.Evolv ing factor ana lys is in presence o f

heteroscedastic noise. Analytica Chimica Acta, 263

(1992) 125.

9. Liang Y Z?Kvalheim O M?Manne R. A two-way

procedure for background cor rect ion o f

chromatographic/spectroscopic data by congruence

analysis and leastsquares fit of the zero-component

regions:Comparison with doublecentering[J]. Chemom.

Intell. Lab. Syst., 1993, 18(3): 265-279.

10. Manne R, Shen H L, Liang Y Z. Subwindow factor

analysis [J]. Chemom. Intell. Lab. Syst. 1999, 45(1-2):

171-176.11. Shen H L, Manne R, Xu Q S, Chen D Z, Liang Y Z.

Local resolution of hyphenated chromatographic data

[J]. Chemom. Intell. Lab. Syst. 1999, 45(1-2): 323-330.

12. Gong F, Liang Y Z, Cui H, et a l . Gas

chromatography–mass spectrometry and chemometric

resolution applied to the determination of essential oils

in Cortex Cinnamomi.[J]. J. Chromatogr. A, 2001,

905(1-2): 193-205.

13. Gong F, Liang Y Z, Xu Q S, et al. Determination of

volatile components in peptic powder by gas

chromatography–mass spectrometry and chemometric

resolution[J]. J. Chromatogr. A, 2001, 909 (2): 237-247.14. Li X N, Liang Y Z. Analysis of the Volatile Fractions

of Schisandra Chinensis (Turcz.) Baill. with GC/MS

and Chemometric Resolution[J]. Phytochemical

Analysis, 2003, 14: 23-33.

15. Gong F, Liang Y Z. Combination of GC-MS with

local resolution for determining volatile components

from si-wu decoction[J]. Journal of Separation Science,

2003, 26: 112-122.

16. Li B Y, Liang Y Z, Hu Y, et al. Evaluation of gas

chromatography–mass spectrometry in conjunction

with chemometric resolution for identification of

nitrogen compounds in crude oil [J]. Talanta, 2003,

61(6): 803-809.

17. Zhang T M, Liang Y Z, Li B Y, et al. Identification

of structures of nitrogen-containing compounds in

crude oils in conjunction with chemometric

resolution[J]. Annali di Chimica, 2004, 94(11): 783-791.

18. Zhang T M, Liang Y Z, Li B Y, et al. Systemic

ana lys i s o f s t ruc tu res and con ten ts o f

heteroatom-containing compounds in organic complex

samples in conjunction with chemometric resolution

technique[J]. Anal. Sci., 2004, 20(4): 717-724.

19. Zeng Z D, Liang Y Z, Li X R, et al. Alternative

moving window factor analysis for comparison

analysis between complex chromatographic data [J]. J.

Chromatogr. A, 2006, 1107: 273-285.

20. Li X R, Liang Y Z, Zhou T, et al. Comparative

analysis of volatile constituents between recipe

Jingfangsan and its single herbs by GC-MS combined

with AMWFA method [J]. J. Sep. Sci., 2009, 32(2):258-266.

21. Leung A K, Gong F, Liang Y Z, et al?Analysis of

water soluble constituents of Cordyceps Sinensis with

Heutiatic Evolving Latent Projections[J]. Anal. Lett.,

2000, 33(15): 3195-3211.

22. Li B Y, Liang Y Z, Du Y P, et al. Resolution and

identification of the acidic fraction of a petroleum ether

extract of Radix Rehemaniae preparata by an evolving

chemometric approach[J]. J. Chromatogr. A, 2003,

57(3-4): 235-243.

23. Guo F Q, Liang Y Z?Xu C J, et al. Determination of

the volatile chemical constituents of NotoptergiumIncium by gas chromatography-mass spectrometry

and iterative or non-iterative chemometrics resolution

methods [J]. J. Chromatogr. A, 2003, 1016(1): 99-110.

24. Van Den Dool, H. Dce. Kratz, P. A generalization

of the retention index system including linear

temperature programmed gas-liquid partition

chromatography[J]. J Chromatogr, 1963, 11: 463~471

25. Richmond R. Calibrated salvage of gas

chromatography capillary column retention indices [J].

J. Chromatogr. A, 1996, 742: 131-134.

26. Richmond R., Pombo-Villar E. Use of persistent

trace gas chromatography artifacts for the calculationof Pseudo-Sadtler retention indexes [J]. J. Chromatogr.

A, 1998, 811: 241~245

27. Cavaleiro C, Salgueiro L R. Analysis by gas

chromatography-mass spectrometry of the volatile

components of Teucrium lusitanicum and Teucrium

algarbiensis[J]. J. Chromatogr. A, 2004, 1033:

187-190.

28. Hudaib M, Speroni E. GC/MS evaluation of thyme

(Thymus Vulgaris L.) oil composition and variations

during the vegetative cycle[J]. J. Pharm. Biomed.

Anal., 2002, 29: 691-700.

29. Li Xiao-Ning, Liang Yi-Zeng, Chau Foo-Tim, et al.

Smoothing methods applied to dealing with





heteroscedastic noise in GC/MS[J]. Chemometrics

a n d I n t e l l i g e n t L a b o r a t o r y

Systems,2002,63(2):139-153.

30. Chen ZengPing, Morris Julian, Martin Elaine, et al.

Recursive evolving spectral projection for revealing the

concentration windows of overlapping peaks in

two-way chromatographic experiments[J].

Chemometrics and Intelligent Laboratory, 2004, 72(1):

9-19.

31. Xu Cheng-Jian, Liang Yi-Zeng, Chau Foo-Tim, et

al. Identification of essential components of Houttuynia

cordata by gas chromatography/mass spectrumetry

and the integrated[J]. chemometric approach

Talanta,2005, 68(1): 108-115.

32. Shen Hailin, Liang Yizeng, Kvalheim OlavM, et al.

Rolf Determination of chemical rank of two-way data

from mixtures using subspace comparisons[J].Chemometrics and Intelligent Laboratory Systems,

2000, 51(1): 49-59.

33. Liang Yi-Zeng. Chemometrics applied to Chinese

medicine[J]. Chemical Journal of Chinese Universities,

1999, 20(5): 454-456.

34. Liang Yi-Zeng, Xie Peishan, Chan Kelvin, et al.

Quality control of herbal medicines[J]. Journal of

Chromatography B, Analytical Technologies in the

Biomedical and Life Sciences, 2004, 812(1-2): 53-70.

35. Li Bo-Yan, Hu Yun, Liang Yi-Zeng, et al. Quality

evaluation of fingerprints of herbal medicine with

chromatographic data[J]. Analytica Chimica Acta,2004, 514 (1): 69-77.

36. Golub G H, Loan F V. Matrix Computations [M].

Baltimore: Johns Hopkins University Press. MD, 1983.

37. Xu C J, Liang Y Z, Li Y. Chemical rank estimation

by noise perturbation in functional principle component

analysis [J]. The Analyst, 2003, 128: 75-81.

38. Shen H L, Wang J H, Liang Y Z, et al. Chemical

rank estimation by multiresolution analysis for two-way

data in the presence of background[J].. Chemom.

Intell. Lab. Syst., 1997, 37: 261-269.





Illustrations

Illustration 1

Fig.1 TICs of volatile oils from RZ (a) ZOR (b) and GP (c)





Illustration 2

Fig.2 TIC curve for A peak cluster within 10.638-11.02min





Illustration 3

Fig.3 FSWM plot for A peak cluster





Illustration 4

Fig. 4 FSWM plot for A peak cluster after correcting heteroscedastic noise





Illustration 5

Fig.5 ELPG plots for A peak cluster.





Illustration 6

Fig.6 Resolved chromatograms for A peak cluster containing component 1, 2 and 3





Illustration 7

Fig.7 Standard mass spectrum (A) of Eucalyptol and resolved mass spectrum (B) of component1 by HELP





Illustration 8

Fig.8 Standard mass spectrum (A) of beta-Phellandrene and resolved mass spectrum (B) of component2





Illustration 10

Fig.10 TIC curve for B peak cluster within 13.279-13.513min





Illustration 11

Fig.11 ELPG plot for B peak cluster





Illustration 12

Fig.12 FSWM plot for B peak cluster after correcting heteroscedastic noise





Illustration 13

Fig.13 Resolved chromatograms for B peak cluster containing component 1-4





Fig.14 Standard mass spectrum (A) of 1-Methyl-3-(1-methycyclopropyl)

cyclopentene（C10H16）and resolved mass spectrum (B)of component 1 by HELP

Illustration 14

Fig.14 Standard mass spectrum (A) and resolved mass spectrum (B)of component 1 by HELP





Illustration 15

Fig.15 Standard mass spectrum(A) and resolved mass spectrum(B) of component 2 by HELP





Illustration 17






Illustration 18

Fig.18 TIC curve for C peak cluster within13.087-13.526 min





Illustration 19

Fig.19 EFA plot for C peak cluster after correcting heteroscedastic noise





Illustration 20

Fig.20 ELPG plot for C peak cluster and ELPG plot





Illustration 21

Fig.21 Resolved chromatograms for C peak cluster containing component 1-6





Fig.22 Standard mass spectrum(A) of Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-（C10H18O）

and resolved mass spectrum(B) of component 1 by HELP

Illustration 22






Illustration 23

Fig.23 Standard mass spectrum(A) of Isopulegol and resolved mass spectrum(B) of component 2 hy HELP





Illustration 24

Fig.24 Standard mass spectrum?A?and resolved mass spectrum(B) of component 3 by HELP





Illustration 25

Fig.25 Standard mass spectrum (A) and resolved mass spectrum (B)of component 4 by HELP





Illustration 26






Illustration 27






no Name of components/molecular formula RZ/rc ZOR/r

c

GP/r

c

Ri

1 2-Heptanone/C7H14O 0.06 0.05 0.04 864.8

2 Heptanal/C7H14O 0.02 —— 0.01 875.8

3 2-Heptanol/C7H16O 0.41 0.28 0.16 884.2

4 Tricyclo[2.2.1.02,6]heptane,

1,7,7-trimethyl-/C 10H16

0.21 0.09 0.07 916.5

5 Bicyclo[3.1.0]hex-2-ene,

2-methyl-5-(1-methylethyl)-/C 10H16

0.04 0.01 —— 921.7

6 .alpha.-Pinene/C10H16 3.29 1.53 1.12 929.1

7 Camphene/C10H16 8.65 4.77 3.71 943.3

8 5-Hepten-2-one, 6-methyl-/C8H14O 0.61 —— 0.42 963

9 Bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-, (1S)-/C10H160.41 0.23 0.19 966.9

10 6-Hepten-1-ol, 2-methyl-/C8H16O —— —— 0.14 976.5

11 Octanal/C8H16O —— —— 0.12 980.1

12 .beta.-Myrcene/C10H16 1.75 1.36 1 983.5

13 Bicyclo[3.1.0]hexane,

4-methyl-1-(1-methylethyl)-, didehydro

deriv./C10H16

—— 0.54 —— 995.1

14 3-Carene/C10H16 0.08 0.05 0.04 1002.

4

15 .alpha.-Phellandrene/C10H16 1.24 —— 0.3 1005.

1

16 (+)-4-Carene/C10H16 0.14 —— 0.02 1007.

Illustration 28

Table 1 Chemical components of volatile oil from RZ, ZOR and GP






26 Bicyclo[3.1.0]hexan-2-ol,

2-methyl-5-(1-methylethyl)-,

(1.alpha.,2.beta.,5.alpha.)-/C10H18O

—— 0.04 —— 1051.

4

27 .alpha.-Methyl-.alpha.-[4-methyl-3-pentenyl]o

riranemethanol/C10H18O2

0.07 —— 0.02 1056.

2

28 2-Nonanone/C9H18O 0.84 0.39 0.13 1071.

429 Cyclohexene, 5-methyl-3-(1-methylethenyl)-,

trans-(-)-/C10H16

0.62 0.46 0.46 1077.

8

30 1,6-Octadien-3-ol, 3,7-dimethyl-/C10H18O 1.83 2.1 0.95 1086.

5

31 2-Decanol/C10H22O 0.61 —— —— 1088.

3

32 Fenchol, exo-/C10H18O 0.11 —— 0.05 1096.

1

33 Bicyclo[2.2.1]heptan-2-ol,

1,3,3-trimethyl-/C 10H18O

—— 0.05 0.05 1096.

3

34 Isopulegol/C10H18O —— —— 0.01 1098.

6

35 1-Methyl-3-(1’-methylcyclopropyl)cyclopente

ne/C10H16

0.03 —— —— 1101.

5

36 cis-2-Pinanol/C10

H18

O —— 0.09 0.06 1101.

8


1,7,7-trimethyl-,exo-/C10H18O

0.08 0.08 0.09 1103.

5

38 2-Cyclohexen-1-ol,

1-methyl-4-(1-methylethyl)-, trans-/C10H18O

0.35 0.18 0.06 1104.

9

39 6-Octen-1-ol,

7-methyl-3-methylene-/C 10H18O

0.14 0.11 0.08 1106.

1

40 Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-,

(1R)-/C10H16O

0.18 0.16 0.19 1115.

8


1-methyl-4-(1-methylethyl)-, cis-/C10H18O

0.37 0.22 0.11 1121.

5

42 6-Octenal, 3,7-dimethyl-, (R)-/C10H18O 0.06 0.31 0.27 1131.





48 3-Cyclohexene-1-methanol,

.alpha.,.alpha.4-trimethyl-/C10H18O

1.52 1.43 1.34 1172.

3

49 Dodecanal/C12H24O —— —— 0.13 1184.

6

50 Decanal/C10H20O —— 0.06 —— 1185


3-methyl-6-(1-methylethyl)-, trans-/C10H18O

0.21 —— —— 1188.

9

52 Acetic acid, octyl ester/C10H20O2 —— 0.04 —— 119553 2-Octen-1-ol, 3,7-dimethyl-/C10H20O 2.14 5.34 —— 1216.

6

54 .alpha.-2,2,6-tetramethyl-Cyclohexanepropan

ol/C13H26O

—— —— 3.72 1216.

7

55 2,6-Octadienal, 3,7-dimethyl-, (E)-/C10H18O 1 2.06 2.8 1219.

2

56 2-Acetoxytridecane/C15H30O2 0.11 —— —— 1223.

3

57 Acetic acid, sec-octyl ester/C10H20O2 —— 0.19 —— 1224.

9

58 3-Cyclohexen-1-one

2-isopropyl-5-methyl-/C10H16O

—— 0.02 0.01 1226.

8

59 2,6-Octadien-1-ol, 3,7-dimethyl-,

(Z)-/C10H18O

—— 0.42 —— 1238.

2

60 2,6-Octadien-1-ol, 3,7-dimethyl-/C10H18O 2.37 —— 3.97 1243.1

61 2,6-Octadienal, 3,7-dimethyl-/C10H16O 2.39 4.55 7.08 1251.

1

62 1,6-Octadien-3-ol, 3,7-dimethyl-,

(.+/-.)-/C10H18O

—— 8.8 —— 1251.

3

63 1,5-Cyclohexadiene-1-methanol,

4-(1-methylethyl)-/C10H16O

0.05 0.03 —— 1253.

3

64 4,8-Dimethyl-nona-3,8-dien-2-one/C11H18O —— 0.01 —— 1258.

5

65 Benzenemethanol,

4-(1-methylethyl)-/C10H14O

—— 0.01 —— 1266.

6

66 Bornyl acetate/C12H20O2 0.44 0.92 0.59 1269.

8





72 6-Octen-1-ol, 3,7-dimethyl-,

acetate/C12H22O2

0.39 1.03 0.6 1336

73 Copaene/C15H24 0.02 0.21 0.02 1355.

1

74 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,

(Z)-/C12H20O2

1.44 0.09 2.53 1356.

6


(E)-/C12

H22

O2

—— 6.2 —— 1368

76 n-Decanoic acid/C10H20O2 0.23 —— —— 1369.

6

77 alpha.-Cubebene/C15H24 0.13 0.27 1372.

3

78 Cyclobuta[1,2:3,4]dicyclopentene,

decahydro-3a-methyl-6-methylene-1-

(1-methylethyl)-,

[1S-(1.alpha.,3a.alpha.,3b.beta.,6a.beta.)]-/C1

5H24

0.02 —— —— 1379.

1

79 Cyclohexane,

1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-,

[1S-(1.alpha.,2.beta.,4.beta.)]-/C15H24

0.22 0.59 0.05 1383.

2

80 Cyclohexane,

1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-/

C15H24

—— —— 0.89 1386.

1

81 1,3-Cyclohexadiene,

5-(1,5-dimethyl-4-hexenyl)-2-methyl-,[s-(R@,

S@)]-/C15H24

0.07 0.14 0.16 1400.

1

82 1H-3a,7-Methanoazulene,

2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,

[3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-/C15

H24

0.03 —— —— 1406.

2

83 Bicyclo[7.2.0]undec-4-ene,

4,11,11-trimethyl-8-methylene-/C 15H24

0.03 —— —— 1411.

7

84 Phenol,

2-methoxy-4-(1-propenyl)-/C 10H12O2

0.14 0.02 —— 1419.

2

85 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene,o

- - - - - -

0.01 0.25 0.05 1422.





89 .beta.-Sesquiphellandrene/C15H24 —— —— 0.02 1433.

1

90 Humulen-(v1)/C15H24 0.22 0.06 0.1 1433.

7

91 1H-Cycloprop[e]azulene,

1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramet

hyl-,

[1aR-(1a.alpha.,4.alpha.,4a.beta.,7b.alpha.)]-/

C15H24

0.11 0.08 0.09 1441.

5

92 1,6,10-Dodecatriene,

7,11-dimethyl-3-methylene-, (Z)-/C15H24

0.1 —— 0.44 1446

93 Cyclohexene,

3-(1,5-dimethyl-4-hexenyl)-6-methylene-,

[s-(R@,s@)]-/C15H24

—— 0.29 —— 1446.

4


decahydro-1,1,7-trimethyl-4-methylene-,

[1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.a

lpha.)]-/C15H24

0.18 0.13 0.16 1451.

4

95 Benzene,

1-(1,5-dimethyl-4-hexenyl)-4-methyl-/C 15H2

2

4.36 4.63 7.73 1472.

5

96 Spiro[5.5]undec-2-ene,

3,7,7-trimethyl-11-methylene-, (-)-/C15H22

—— 0.17 1477.

5

97 Naphthalene,

1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methy

lene-1-

(1-methylethyl)-,

(1.alpha.,4a.alpha.,8a.alpha.)-/C15H24

0.75 —— —— 1490.

4


5-(1,5-dimethyl-4-hexenyl)-2-methyl-,[s-(R@,

S@)]-/C15H24

4.79 6.86 13 1491.

1

99 .alpha.-Farnesene/C15H24 1.18 2.53 3.72 1501.

1

100 Cyclohexene,

1-methyl-4-(5-methyl-1-methylene-4-hexenyl)

-, (S)-/C15H24

1.69 1.79 2.92 1503.

9





105 Dodecanoic acid/C12H24O2 0.56 —— —— 1559.

2

106 2-Naphthalenemethanol,

2,3,4,4a,5,6,7,8-octahydro-.alpha.,.alpha.,4a,8

-

tetramethyl-,

[2R-(2.alpha.,4a.beta.,8.beta.)]-/C15H26O

—— —— 0.81 1626.

9

107 Farnesol isomer a/C15H26O 0.1 —— —— 1698.

2

108 2,6,10-Dodecatrienal,

3,7,11-trimethyl-/C 15H24O

—— 0.13 0.17 1710.

9

109 Tetradecanoic acid/C14H28O 0.17 —— —— 1746

110 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-,

acetate, (E,E)-/C17H28O2

—— 0.03 —— 1813.

7

111 9-Hexadecenoic acid/C16H30O2 0.07 0.01 —— 1919

112 Eicosanoic acid/C20H40O2 1.09 0.33 0.19 1948.

4

113 Phytol/C20H40O 0.03 0.02 0.01 2096.

3

114 9,12-Octadecadienoic acid (Z,Z)-/C18H32O2 0.22 0.11 0.02 2107

115 9-Octadecenoic acid, (E)-/C18H34O2 0.12 0.05 0.02 2116.

9

116 Octadecanoic acid/C18H36O2 0.01 —— —— 2146.

5117 Heneicosane/C21H44 —— 0.01 0.01 2450.

7

total 81.43 86.38 84.79





Table 1 Chemical components of volatile oil from RZ, ZOR and GP No. Name of components/molecular formula RZ/rc ZOR/r

c

GP/r

c

Ri

1 2-Heptanone/C7H14O 0.06 0.05 0.04 864.8

2 Heptanal/C7H14O 0.02 —— 0.01 875.8

3 2-Heptanol/C7H16O 0.41 0.28 0.16 884.2

4 Tricyclo[2.2.1.02,6]heptane, 1,7,7-trimethyl-/C10H16 0.21 0.09 0.07 916.5

5 Bicyclo[3.1.0]hex-2-ene,


0.04 0.01 —— 921.7

6 .alpha.-Pinene/C10H16 3.29 1.53 1.12 929.1

7 Camphene/C10H16 8.65 4.77 3.71 943.3

8 5-Hepten-2-one, 6-methyl-/C8H14O 0.61 —— 0.42 963

9 Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-,

(1S)-/C10H16

0.41 0.23 0.19 966.9

10 6-Hepten-1-ol, 2-methyl-/C8H16O —— —— 0.14 976.5

11 Octanal/C8H16O —— —— 0.12 980.1

12 .beta.-Myrcene/C10H16 1.75 1.36 1 983.5

13 Bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-,

didehydro deriv./C10H16

—— 0.54 —— 995.1

14 3-Carene/C10H16 0.08 0.05 0.04 1002.

4

15 .alpha.-Phellandrene/C10H16 1.24 —— 0.3 1005.

1

16 (+)-4-Carene/C10H16 0.14 —— 0.02 1007.

5

17 Benzene, 1-methyl-2-(1-methylethyl)-/C10H14 0.04 0.06 —— 1010.

Illustration 29

Table 1 Chemical components of volatile oil from RZ, ZOR and GP





21 D-Limonene/C10H16 4.04 2.33 1.71 1025.


9

23 2-Octenal, (E)-/C8H14O —— 0.11 0.05 1032.

1

24 1,3,6-Octatriene, 3,7-dimethyl-, (Z)-/C10H16 0.02 0.02 0.01 1038.

6



0.17 0.05 0.04 1048

26 Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-,

(1.alpha.,2.beta.,5.alpha.)-/C10H18O

—— 0.04 —— 1051.

4

27 .alpha.-Methyl-.alpha.-[4-methyl-3-pentenyl]oriranemet

hanol/C10H18O2

0.07 —— 0.02 1056.

2

28 2-Nonanone/C9H18O 0.84 0.39 0.13 1071.

4

29 Cyclohexene, 5-methyl-3-(1-methylethenyl)-,

trans-(-)-/C10H16

0.62 0.46 0.46 1077.

8

30 1,6-Octadien-3-ol, 3,7-dimethyl-/C10H18O 1.83 2.1 0.95 1086.

5

31 2-Decanol/C10H22O 0.61 —— —— 1088.

3

32 Fenchol, exo-/C10H18O 0.11 —— 0.05 1096.

1

33 Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-/C10H18O —— 0.05 0.05 1096.

3

34 Isopulegol/C10H18O —— —— 0.01 1098.

6Webmedcentral > Research articles of 55




35 1-Methyl-3-(1’-methylcyclopropyl)cyclopentene/C10H1

6

0.03 —— —— 1101.

5

36 cis-2-Pinanol/C10H18O —— 0.09 0.06 1101.

8


1,7,7-trimethyl-,exo-/C 10H18O

0.08 0.08 0.09 1103.

5

38 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-,

trans-/C10H18O

0.35 0.18 0.06 1104.

9

39 6-Octen-1-ol, 7-methyl-3-methylene-/C10H18O 0.14 0.11 0.08 1106.

1

40 Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-,

(1R)-/C10H16O

0.18 0.16 0.19 1115.

8


cis-/C10H18O

0.37 0.22 0.11 1121.

542 6-Octenal, 3,7-dimethyl-, (R)-/C10H18O 0.06 0.31 0.27 1131.

2

43 Isoborneol/C10H18O 0.19 3.02 0.1 1141.

8

44 Borneol/C10H18O 3.13 0.07 2.69 1145.

4

45 2-Cyclohexen-1-one, 4-(1-methylethyl)-/C9H14O 0.13 0.34 0.21 1153.

2


4-methyl-1-(1-methylethyl)-/C 10H18O

0.88 —— —— 1160.

4

47 Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde,

6,6-dimethyl-/C10H14O

0.15 —— 0.08 1165.

8

- - -





49 Dodecanal/C12H24O —— —— 0.13 1184.

6

50 Decanal/C10H20O —— 0.06 —— 1185


trans-/C10H18O

0.21 —— —— 1188.

9

52 Acetic acid, octyl ester/C10H20O2 —— 0.04 —— 1195

53 2-Octen-1-ol, 3,7-dimethyl-/C10H20O 2.14 5.34 —— 1216.

6

54 .alpha.-2,2,6-tetramethyl-Cyclohexanepropanol/C13H2

6O

—— —— 3.72 1216.

7

55 2,6-Octadienal, 3,7-dimethyl-, (E)-/C10H18O 1 2.06 2.8 1219.

256 2-Acetoxytridecane/C15H30O2 0.11 —— —— 1223.

3


9

58 3-Cyclohexen-1-one 2-isopropyl-5-methyl-/C10H16O —— 0.02 0.01 1226.

8

59 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-/C10H18O —— 0.42 —— 1238.

2

60 2,6-Octadien-1-ol, 3,7-dimethyl-/C10H18O 2.37 —— 3.97 1243.

1

61 2,6-Octadienal, 3,7-dimethyl-/C10H16O 2.39 4.55 7.08 1251.

1

62 1,6-Octadien-3-ol, 3,7-dimethyl-, (.+/-.)-/C10H18O —— 8.8 —— 1251.





65 Benzenemethanol, 4-(1-methylethyl)-/C10H14O —— 0.01 —— 1266.

6

66 Bornyl acetate/C12H20O2 0.44 0.92 0.59 1269.

8

67 2-Undecanone/C11H22O 1.61 0.84 0.44 1276.

2

68 2-Pentadecanol/C15H32O 0.21 0.09 0.07 1288.

2

69 Ethanone,

1-[3-methyl-3-(4-methyl-3-pentenyl)oxiranyl]-/C 11H18

O2

—— 0.01 1292.

9

70 (-)-Myrtenyl acetate/C12H18O2 —— 0.1 0.04 1304.

4

71 Phenol, 2-methoxy-3-(2-propenyl)-/C10H20O2 0.01 —— —— 1326.

3

72 6-Octen-1-ol, 3,7-dimethyl-, acetate/C12H22O2 0.39 1.03 0.6 1336

73 Copaene/C15H24 0.02 0.21 0.02 1355.

1


(Z)-/C12H20O2

1.44 0.09 2.53 1356.

6


(E)-/C12H22O2

—— 6.2 —— 1368

76 n-Decanoic acid/C H O 0.23 —— —— 1369.





80 Cyclohexane,

1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-/C 15H24

—— —— 0.89 1386.

1


5-(1,5-dimethyl-4-hexenyl)-2-methyl-,[s-(R@,S@)]-/C 1

5H24

0.07 0.14 0.16 1400.

1

82 1H-3a,7-Methanoazulene,

2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,

[3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-/C15H24

0.03 —— —— 1406.

2

83 Bicyclo[7.2.0]undec-4-ene,

4,11,11-trimethyl-8-methylene-/C 15H24

0.03 —— —— 1411.

7

84 Phenol, 2-methoxy-4-(1-propenyl)-/C10H12O2 0.14 0.02 —— 1419.

2

85 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene,octahydro-

7-methyl-3-methylene-4-

(1-methylethyl)-,

[3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS@)]-

/C15H24

0.01 0.25 0.05 1422.

8Webmedcentral > Research articles of 55




[1aR-(1a.alpha.,4.alpha.,4a.beta.,7b.alpha.)]-/C15H24

92 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-,(Z)-/C15H24

0.1 —— 0.44 1446

93 Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-,

[s-(R@,s@)]-/C15H24

—— 0.29 —— 1446.

4


decahydro-1,1,7-trimethyl-4-methylene-,

[1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]-/C

15H24

0.18 0.13 0.16 1451.

4

95 Benzene,

1-(1,5-dimethyl-4-hexenyl)-4-methyl-/C 15H22

4.36 4.63 7.73 1472.

5

96 Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-,

(-)-/C15H22

—— 0.17 1477.

5

97 Na hthalene 0.75 —— —— 1490.





115 9-Octadecenoic acid, (E)-/C18H34O2 0.12 0.05 0.02 2116.

9

116 Octadecanoic acid/C18H36O2 0.01 —— —— 2146.

5

117 Heneicosane/C21H44 —— 0.01 0.01 2450.

7

total 81.43 86.38 84.79

Note: rc--relative content%Ri-- Retention index——Fail to qualify





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Reviews

Review 1

Review Title: Analysis Of Volatile Components In Rhizome Zingibers, ZingiberOfficinale Roscoe And Ginger Peel By Gas Chromatography-mass

Spectrometry And Chemometric Resolution

Posted by Dr. Amin Malik Shah Abdul Majid on 26 Oct 2010 03:33:03 PM GMT

Rating: 0

Comment: The work published here is of good scientific quality and highlights important analytical approach that

can be used to analyse complex samples such as extracts of natural products. The mass spec data are of good

quality and the peaks present show interesting compounds detected in the plant extract. However, there are

number of grammatical errors that must be corrected before this manuscript is published. I would recommend for

this manuscript to be published once the grammar is improved.

Competing interests: Nil

Invited by the author to make a review on this article? : Yes

Experience and credentials in the specific area of science: Mass Spectrometry Cancer pharmacology

Natural Product

Publications in the same or a related area of science: No

How to cite: Abdul Majid A.Analysis Of Volatile Components In Rhizome Zingibers, Zingiber Officinale Roscoe

And Ginger Peel By Gas Chromatography-mass Spectrometry And Chemometric Resolution [Review of the

article 'Analysis of Volatile Omponents In Rhizome Zingibers, Zingiber Officinale Roscoe And Ginger Peel By

Gas Chromatography-Mass Spectrometry And Chemometric Resolution ' by ].WebmedCentral

1970;1(10):REVIEW_REF_NUM85


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