Académique Documents
Professionnel Documents
Culture Documents
ESSENTTALOtL COMPONE'NTSBY
GAS CHROMATOGRAPHY/
MASS SPECTROMETRY,4th Ed.
BRITISH
LIBRARY
DOCUMENT
SUPPLYCENTRE
| 0 *ge?$07
ruS?"r
" g?6tg
AlluredPublishingCorporation
3625. SchmaleRoad
CarolStream,IL 60188-2787
rsBN 978-1-932633-21-4
CONTENTS =
=
Preface
vil
I. Introduction
I
II. Nomenclature
I =
III.Mass Spectrometry Consitlerations
2 -
A. Obtainingeuality Spectrafor Iclentification -
2 -
=
B. The Role of RetentionTimesin l.ibrary Searches a
J
Iv. operating conditions used for spectra Acquisition
v'
4
compatibility with Mass SpectrometerData systems
VI. Explanationsof Formats Used in Appendices
5
VIL References
6
PART B APPENDICES
vtl
USA; R. A. Raguso,USA; P. Raharivelomanana,France;P. Richomrne,France;B. Rodriguez,Spain;
V. Roussis,Greece;A. San Feliciano,Spain;J. J. C. Scheffer,Netherlands;R. Scheffrahn,USA; G.
Schmaus,SymriseGmbH & Co. (formerly Dragoco),Germany;N. Sellier,France;D. Senalik,USA;S.
Shatar,Mongolia; H. Shiota,Japan;E. Silva, Mexico; I. Southwell,Australia;E. Stahl-Biskup,Germanl':
R. Stipanovic,USA; A. B. Svendsen, Netherlands;A. Tara,ltaly; A. Tenaglia,France;R. S. Thakur,
India; R. K. Thappa,India; A. F. Thomas,Firmenich,Switzerland;M. Toyoat, Japan;R. R. Trenkle,
IFF, USA; A. O. Tucker,USA; A. Ulubelen,Turkey; T. A. van Beek,Netherlands;A. Velasco-
Negueruela,Spain; J. P. Vidal, France;O. Vostrowsky, Germany; G. J. Wagner, USA; P. Waterman,
U.K.; R. Weavers,New Zealand; H. Weyerstahl,Germany; P. Weyerstahl,Germany; P. T. White,
USA; M. Whitten,USA; H. J. Woeerdenbag, Netlrerlands;K. C. Wong, Malaysia;Xu Ji-Qing,China;
Xiaobing Yu, China; P. Yates, Canada;Y. Yuesa, Japan;T. A. Zanoni, USA; M. G. B. Zoghbi,Brazil; J.
A. Zygadlo, Argentina; and J. H. Zwaving, Netherlands.
Special tlranks to Tanya Yank, Lou Gamett,Madeline Reed and Ryan Perezfor assistancewith word
processingand drawing structures. Also thanksto severalyourlg studentswho helped: Carlos Borunda,
Blake Fitzgeraldand Ryan Remick.
Mr,.
li...
Ii]..
l!:=,,
lliii:'
Ii:.,,
lllr,.
I!:.,,
nti:
ni:
qii'
nti
il'i'
mi:
ili!.,
nili
mt!
mili
ruii
vllt
ffil
$it
fiir
mi
Eir
ml
m'
t-
PART A CON{BTNEDGAS CHRONIATOGRAPHY/
MASSSPECTROMETRY
I.INTRODUCTION
ctc.). Itl solltc sl.rccics.orlc rltay obtain alkarrcsanclaliphatic alcolrols. kctoncs ancl
alclchycle,s.
...n tain illgtln lya sin elc t nint t r c t r t t l1- lt lnent lt ils
Th c n ul'1 11 1*0l't
ss his book
- ' rr rrttu l).occu lrilr- g
lt lant es s ent iuloiI c or - nponc nt s .
I I . \ O\IENCT,ATT]R I i
Thcrc is n o g clte r al agr c c nlc nI on lhc nor ngr c lut u r c o l 'c r x r u n o n n a m c s r r t i l i z e d f
o r . e s s e n t i ao
l i l c o r n p o n c n t s .B c c a u seo l .th c
-: }li.ttrI.ica|tlsag c t ll. c ( ) |lllll( ) l1t lit lllc S. t |r c t t lor c ll r o c i s c c h c n t i c a l n i r l r t c s 1 - l l l v i c
. -. - lrl,'rn u\1 .(1.
Thcrc alc s()lltc c()nvcntions. lrolr.,cr,'er.
that llcc(l to he adoptccllirr the c()nrnonnalllcsto leaclto rnor.cunilirrnrity.It has
i- -"r
-'\rnun()ltlo c-nllis1y111c1.s
about a rlouhlc boncl as r,r.ritntltrortsrtrthertlrarrF,andZ (bclow):
&o'
/i'arr,r-hcx-3-cnol r:r,r-hcx-3-enol
Adarns:EssentialOil Componentsby GC/MS
to my
In tlris hook,I shalltry to be consistentin namingall doublebond isomersas E or Z,n)t transor cl.r.So, accor(ling
c.n'entions.the hexenolabovewill be called(3E)-hexenoland (3Z)-hexenol, o[
not /runs-ltexencll cls-hexenol.
(E)-
The nomenclaturalsituation gets rnore con'rplicatedwith ringed cornpoundssuch as "p-caryophyllene"i.e.,
caryophylleneancl(Z)-caryophyllene:
(E)-caryophyllene (Z)-caryophyllene
T' oHl'.l
lJ- r
\
t'- \
,'-
--\
neomenthol neclisomenthol nrenthol isomenthol
isomers.
The nanringconventionof Decouzonet al. (1990)is usedin this book ftrr thesekinclso[ neo-,iso- and neoistl-
li
1fr t t3 itd!
tune." The use ol autotuneshould be avoidecl.as
the targettune gives lnore consistenImassspcctl'a l
or,era time period.Our HP MSD was tunedusing F)At3 ! '(i J
li6'0
-.
'-,-....:\.rrf-
fr r. -$^ f. {^ !
I
!,ttLtfrLlilfrie
#Ll4D:5.8: THUJEI{EcALFH,o,,r
min of the library time if you usethe sameDB-5, 30m column, sametemperatureramp (60'C to 246"C at'3'C/min) and if you
correctyour peak'sRT to liblary valueswhen identifying new peaks.
We routinely add two internalstanclartls to our samples:octane(C8) and eicosane(C20). If the startingtime is incorrect,a
correctioncan be a6de6to the early peak's RT. If someproblernhas developedin the gas chromatograph'soven temperature
controllerand/orcolumn characteristics, this changesthe RT of eicosane.
In actual practice,you can easily adjust RT as you processthe output by merely noting the RT of major peaksthat al'e
easily iclentifiedan4 then either.aclclingor subtractingthe diflferencein their RT and that in the library. For inslance,if in the
abnveexlmple u-thuienein lemonoil haclan RT of 5.50,versus5.62in the library,I would begin to add 0. l2 ntin to the RT
9l t6e next peak(s).lf lurther along in the chromatogram geraniolhad an RT of 17.81versus17.95in the library, I would
begin aclding0. 14 min to the RT of tlre next peak(s).By adjusting the RT as one "crawls" along the chromatogram,one can
attain very good RT.
It should also be noted that, occasionally,the lihrary searchiust doesnot seemto pick up some subtledifferences.In these
just look on the pages! The
instancesit is useful to have the book openeclto roughly arounclthe unknown's RT and
researcher'seyesare still prelty gooclat seeingpattcrnsthat computersearchesmiss.
(Hewlett-Packard.Palo
Mass spectrawere obtained on a Hewlett Packard(HP) rnoclel5970b MSD rnassspectrometer
Alro, CA, UniteclStates),coupleddirectly to an HP 5890 gas chromatograph(Hewlett-Packard,Palo Alto, CA, United States)
fltted with a J&W DB-5 (J&w Scienrific,Folsom,CA, UnitedStates),0.25 mm i.d. x 30 m,0.25 ptmcoatingthickness'fused
sifica capillary colurnn.The GC/MSD was operateclunder the following conditions:injeclor temperature.220"C; tl'ansferline,
(at 210'C);
240.C: oven temperatureprogrammecl60"-246'C at 3'C/min: calrier gas, He at34.96 cm/sec or 1.02 rnl/min
injecrion(for moit wholc essenrialoils).0.1 pL (t07o solution),split l:20,500 ng/on column; injection (for individual or
Internal standards (n-octane and
simple mixturesof referencecgmpounds),0. I pL (l % solution),split I :20, 50 ng/on colun.rn.
n-eicgsane)were addedto eachsampleto aid in the standardizationof RT.
The following is a typical set oi valuesfor our instrument:EM Volts 1800v.,X tay 44.0,emissionon, AMU gain 88'
AMU offs 60, mass gain'52,massof[.s14, repeller10.20,ion focus 0.0, ent lens 54. Acq. mode scan'scanrange4l-415' I
scan/sec,solventdelay 2.00 min'
()il Conrporrcnts
Aclunrs:Essr.:ntial bv GC/N,IS
M any t lf . t lr c da1 a S y s l c tl ts c a n i n 1 l tl ta n H P J canrp(8)fi l rl l atl ccl l i l rrar.yancl ctl trr,crti tt< l t| rci r
n trtc t lt |iat { heN{ as s Iri n tl c r.(p tri n tl 3 a b rl r,,c )i sstanc| -a| < l ncstl | trvat.c
N{assFinclc| can l.rcusccl[o llrocessrncl idcntily cornpouncls usinga corlbinationspcrctfal (lataanclRT.
t) ua
II {_t Il El
1,.c .'
I
,]:
i]
I
i_
;--
Figure 4 showsa searchfrom MassFinclcr.One of the benefitsof MassFincleris that it displaysthe previousanclnexf nrass
is the
spectl;l scan,as well as the currentscan.So it is easylo cletectmixeclpeaks.Anotherrvery usel'ull'eatureof MassFinder
capabilityof outputtingcustor.nizeclRIC and massspcctrafiom publication.Inlbrmation on MassFindcr is availablefiom
Detlev Hochrnuthat u;h'w'massfinder.cont.
seric's
BecauseRT rnay vary as columnsage anclil'different carrier gasesare used,it is useful to have an index basedon a
The
of stanclar{s.suchas straightchain hyclrocarbons. most comtnon index is thc Kovats Index (Kovats, 1965).
Kovatsindicesarecornputecl usingl'orntula(2) tp.230 from Kovats(1965)l as lollows:
KI (x) = 100P, + 100[(log RT (x) - log RT (P,)) I (log RT (P'*r ) - log RT (P, ))l
Where: RT (P,) < RT(x) < RT(P,*1), and Pa ... P3aafe n-paraffins.(up to N=34 in thts book).
However.Van clenDool anclKratz (1963) notedearlierthat when temperature progratnrning is dtlne,an aritlrmeticindex
index. The arithmeticinclexusedin tlris edition was computcdas:
(AI) would be nrqreappropriatethan a logarithrn-basecl
AI (x) = 100P, + 100 t(RT (x) - RT (P. )) / (RT (P,+t) - RT (P, ))l
SYNONYMS:.................
SOURCE:...
Where:
timeon DB-5column,in min.
RT = Rel.ention
Adarns:EsscntialOil Conrponcnts
by CC/NIS
KI = K ov at sir r c lcx
o n D B--5i n rc l c re n c ck r n -a l k a n es..
i nl i r |lnat iolr
CAS |cvealcclboth R (+) and S (-) lirrms havcbecnrcpoltccl.Thcrelorc.the choosing
ol a CAS# 5cc.'rcs arbilrary.This also
llfcsclllsa 1lt'tll-rlcnl
lb| thc stal'l'atCAS rvhcnthey assignrc-tis{r'y
nurnbcrstg comp6un4si' thc litcr.ature.
N IF = N4olc c ular
lir rrn u l a .
FW = Forrnulau,ci-rhl(or.molecular-
wciglrt)i n A M U.
VI. RI'FT]RENCBS
AppendixI
Ct r t t t t t t o n N i t r t t c RT AI Conirnon Narre RT Al
Apiolc 3.5.87 1617 Bcnzcncaccticacicl,cthyl ester. 17.69 t243
Apockr;tliylcrrc 3(r.99 1706 Bcnzcrrcacelicacid.ntcthylesterr t1.73 | 17.5
Apo liu'rresal<( lJ)-clihyclro-> 29.65 t-s20 Bcnzcncacctonitr.ilc <-1-nrcthoxy-> 23.42 t373
ApoI arncsal<(Z)-cli hycfi.o-> 28.11 t498 Bcnzcrrcnrcthanol<tr-nicthyl-> 0L).92 | 0.s7
Apo Iitlncsol<( [i)-clihvch.o-> 32.52 t-590 B crrzencaccti caci cl ,3-nrethyl phcnyl estcr
41. 31 lg2l
Apolirlncsol<(Z)-dihyclro-> 3t .72 1.57 | B cnzencacctoni tri l e 12.94 | t.r4
Aplitonc <( E)-> 37.{).t t70t3 Ilerrzencnte-than<il <2-hyclroxy-> 18.22 l2.s.s
Alrritrrnc<(l)-> 36.31 l(rti9 Bcnzerrcrnrcthanol <zl-lrych.oxy-> 2t.76 t33.5
At'ltozol<enclo-> 26.(\) l.l.l3 Bcnzencrncthan<tl <3-hych.oxy-> 21.92 | 339
All-rozol<cxo-> 26.81 1452 Bcnzollran <2.-3-di rrrethyl-> 16.64 l2l9
Arbuscrrlonc <cis-> 09.-5 | 1046 Ilenzoin zl0.-53 t803
Ar'busc:lrlone <lrans-> 10.22 106(r B onzophcnone 33.92 1626
Ari s t oloc hc nc 28.28 t487 Bcnzyl acctatc | 3.96 | t.57
A li slt'lrrclrcrrc<1.-5-d i -cPi-> 27.63 t41l Bcnzylacctylacetate 28.24 l48fi
Ari s t olonc 39.0| 1762 B enzylal cohol 08.71 1026
Aloruitclcnclrane <clchycho-> 27.1(t l-l(r0 Benzylbenzoatc 38.90 115()
Arrrrrraclctrdrene 26.21 1.1-19 Benzylbutan()ate 22.13 13,13
Atornadcnclrcnc <allo-> 2l .01 14.58 B cnzylci nnarnate 50.22 2092
Aronraclcncll'cnc <c1.lox icle-allo-> 31.42 | (r-19 Bcnzr'lltl'rnate 10.43 l0l I
Artcdouglasia oxicleA 30.22 l-s34 lJcnzt,Iisobutanoate 20.09 1297
Artcckruglasiu oxiclcB 32.t2 t.5t3 | 13cnzyl propanoate 18.29 t25l
Altcckruglasia oxidc C 2e.14 t 522 B cnzylsal i cyl ate 42,68 t864
Artedou- ulasox iaid el ) 31.22 t.s.5tt llcnzyl tiglatc 28.7| | 191
A| tc nr is c olc 06.96 091| Bcrgalnal o().67 l0-5|
Artqrisia alcohol 10.16 t0ti0 Rcrgantt'rtcne <0-cis-> 2.s.l0 l4l I
Ar'lclnisiakctone 09.88 t0.56 Berganrrtene <c{-tl.ans-> 25.99 1432
Al tcnt is iat r ic nc 0-5.(rI 0923 llcrgarnotol<(Z)-c-trans-> 36..r7 t69r)
Arl.cnrisylacetate 14.48 | | (r9 Belgantotolacctate<(Z,1-a-rrans-> 40.20 1794
Asalic in 28.62 t49.s Rerr-qirptenc 49.l0 2056
Asaronc<(E)-> .1.5.79 l(r7.5 llergaptene<iso-> 48.39 2033
Asar'<rne <(Z)-> 33.-53 t6t6 Beyercne 44.98 193l
Asaronc<y-> 3l .78 1572 13icycIogerrnacl'enc 28.83 t-500
Ascaliclolglycol <tlans-> f 8.7| 1266 Bifloratriene 46.56 t977
Ascalickrle n.28 t234 B i otol < p-> 33.39 l6t2
Atlantol<p-> 33.20 1608 Biotonc<B-> 3.r.l8 1607
Atlantone<(11)-rr-> :19..59 l77l B i phcnyl 23.-sI t37.5
Atlantone<(E)-T-> 36.98 1706 Ilisabol-l 1-ol <B-> 35.47 l6(t7
At.fantonc<(./.)-u-> 37.39 t7 t7 B i saboladicn - | 2-ol <2.7( | 4)-> 38.9-s n60
Atlantone<(.7y-y-s 3(r.-5l 16()1 Bisabtrf irdicn-4-ol<2.(7'Z)-> 33. 60 t6 | 8
Atlantone<p-> 3.5..53 l668 B i sahol atri cn-l -ol -4-one< 2,7(14),10->1l .gj lg44
Atractylone 3.s.09 1657 Bisabolatrien-7-ol < t ,3,-5-> 32.9.5 t6{)|
Avocadynofr.rr"an 41.32 182(t Bisabolc-nal <0-> 39.2(t | 7(ru
Azu lc nc 20.1| t298 Bisabolene<(lt)-y-> 30.03 1529
llaeckcol 42..58 I 86| Bisaholcnu. <( Fi)-iso-1r-> 29.9(t 1.528
llakerol 26.17 1444 Bisabtrlene <(7)-u-> 29.O9 t.s06
l Ja nc r olt inone 39.2(t 1768 Il isah<rfcne <0-)-^t -> 29.40 r 5 t4
Barl-ratcnc <q.-> 21.92 1401 Bisabolene<B-> 29.04 1.50.5
Barhatcne<B-> 26.32 r440 [Sisabolcnol <p-> 40.0t t789
Bazzanenc(B-> 29.62 l5 t 9 Bisabolol<u-> 36.17 I (r8.5
Benzalclchydc 06.43 09.52 llisabolol <B-> 35.14 t674
13cnzaldchycle. clirnethylacetal | 1.90 I t09 Bisabolol<cpi-{r-> 36.12 I (r83
Bcnzene< 1.3-clinrctlxrxy-> 11.27 | t6.5 Ilisahokrl<epi-B-> 3.5.(r0 l67O
.Licnzcne < 1,3-di nrcthclxy--5- Bisab<llolacetatc<0-> 40.33 r798
( l-nrethylethyl)- 21.37 1391 Uisabololacrctatc <cpi-c-> 40.48 l802
Benze:ne <2-urethoxycthyl-> 10.16 1080 Bisabololoxidc A <u-> 38..50 1748
Benzenc<pcntyl-> 13.73 | t52 BisahololoxiclcB <a-> 3.5.08 l (r.56
Bcnzcneacctalclclrydc 09.l4 103(r lJisarbolonc <6R.7R-> 38.24 n4(l
t: Adanrs;EssentialOil Componentsby GC/MS
IIf-
Appendixl: Alphabeticall.ist of Compounds
l-5
III-
Appcrrclixl: AlplrabcticalI-istol' Cornpounds tt
(lonrmon Name
RT Common Niurre RT AI
.fensenorre 46.30 | 9(r9 Linalool <dihydro-> 12.82 il31
.luncnol 33.61 l 6 t8 Li nalurl <tetrahydro-> | | .43 t098
.luniccclrtrnol 36.14 t692 Linaloolacetate | 8.l6 1254
Juniccclranune 3.s.38 t664 Li nalool acetate<d ihyclro-> IrJ.99 t272
.l uv ibione 47.90 20trJ Linalool acatatc<tctrahVclro-> t7.t5 1231
Juvibione<clehydro-> .50.00 208.5 Linalool butanoate 2.5..53 1421
Kalalranacnonc 13.82 I t-54 Linaloolltrrnrtrtc 16.42 t2t4
Kaur-l-5-enc 4t.25 1991 l,i naloolisohutanoate 23.43 t37.3
Kaurcnc 4rJ.66 2012 Linalool isovalc.ratc 21.43 1466
Kessane 30.02 1529 Linakxtl oxide <cis->(lirranoitl) 10.29 1067
Kh us ilal 34,1| 1647 Linalooloxicle<cis->(pyranoid) 14.52 | 170
Khus ilol 3.s.80 1615 l .i rti tl tx'rrxi
l dc< del rydrl xyci s-> 08.01 | ()06
Khusirncne 26.8.5 t 4-s3 Li nalooloxicle<clchydroxytrans-> 07.52 099|
Khusinrol 38.26 t]4l Linaktoloxide <trans->( luranoicl) 10.89 t0n4
Khusinrone 33.0.5 I 604 Linalooloxide <trans->(pyranoicl) 14.64 1173
Khus inol 3.5.9-5 1619 Linalooloxicleacetale<trans->(pyranoicl)19.64 l2gl.
Khusinolacetate 41.21 | 823 Li naltxrl pt'()neln(
)iltcr 2t .73 13.34
Kucltdiol 44.33 t9t2 Linalool<1.2-dihyclro-8-hydroxy-(2ts)-> 31.9j 16.54
Labd-l -lIr-8,I -5-cliol 59.92 ) J)) Li nol ci caci d 5t.41 2132
Labcl-7, | 3-dien-I 5-ol 56.24 2291 Lippifirli-| (6)-en-.5-one 30.89 1.s.50
Labcl-7, I 3-dien-l -5-ol,aceratc 59.12 2392 Longiborneol(=.luniperol ) 32.8.5 1.s99
Laciniatatlranonc li 34.47 t -540 Longibrtrneol acetate(=Junipcrolacetatc) 3(r.l6 t6u4
Laciniataf'uranonc F 30.09 t.531 Longicanrphcnylone 31.3-5 l-5(r2
Laciniata1ut'anonc. G 29.96 t-s2ti Longicyclcnc 23.37 137|
LacinialafuranoncH 3().8f) l -548 Longilblene 24.92 1407
Lanccol<(7.)-> 38.94 11(t0 Longilirlene<iso-> 24.11 t389
Lanccrrlacrctate <(Z)-> 42.32 18.s4 Longilirlol 37.25 l7 t3
Larixol ) - ) .4 / 2265 Longilirlol<iso-> 37.80 1728
Laurcnan-2-one .50.96 2t l5 Longifololacetate<iso-> 4 r. 09 l8 t9
Laurenene 43.20 1879 Longiltinanol 31.58 1561
Laurencnc<epi-> 43.97 I 90t Longipinanol<epi-> 31.3.5 1562
Lavandulol r4.30 1165 Longipinene<o-> 22.41 l3.50
Lavanclulol<tcttahydro-> t3.9-5 I t.57 Lon_eipinenc <B-> 24.64 l4(X)
Lavandul<tl acctalc<tctrahych.o-> 18.79 1268 Lyral 3-s.4 t t665
Lavandulyl2-nrethylbutanoate 29.27 l-5|l Maal i ol 3|..53 l-566
Lavandulylacetate 19.70 r 288 M ltcrttcarpcne <( F.)-y-> 29.92 1527
Lavandulvlilcctate<hydroxydihyclro-> 26.15 1436 Macrocarpene <(Z)-y-> 2L).31 l5l2
Lavandulylisobutanoate 2-5..51 1421 Macrocarpenc<0-> 27.s9 1410
L.avanclulyl isovalcrate 29.t9 t.509 Maclocarpenc<ar-> 29.88 t526
Lavcndcrlactonc 09.0.1 r 034 Macrocarpene <p-> 28.8l 1499
Lcaf alcohol,ethyl acctal I t.t7 I t06 Mal tol 11.71 ll0(r
Lcclol 32.99 l(t02 Maltol propionate 26.99 l4-56
Lcptospetnronc 31.02 1629 Maltyl isobutyrate 28.-58 1494
Lcl.rtospclntonc <iso-> t62l Man<xrl
-1-1.11 49.1| 2056
Liboccclrol 57.16 2344 Manool< 13-epi -> 49.20 2051)
L i g u lox idc 30.24 l-53,1 Manool <3a-acetoxy-> .58.| 8 2359
L i g us t ilide< ( I l) - > 40.28 t796 Manool <3o-lrydroxy-> 56.4t 2297
Li _qusti Iicle<(.7,) -> 38.02 1731 Manool <7u-hyclroxy-> .54.63 2231
Lilial 29.93 1521 Manooloxicle 46.89 t987
Lirrronen- 10-ol 19.67 l 2n8 Manooloxi de< 13-epi -> 17.(t4 2009
Linroncne 0li.(r9 lo21 Manool oxide <2-keto-> 54.02 22t6
Lirnoncnealdelrydc 21.37 1326 Manool oxiclc<3a-I 4, l -5-dihydro-> .57.55 2337
Lir.noncne oxide <cis->(Me vs. IPP) l2.fi8 I t32 Maple luranonc t.5.02 I I82
L i n t onc ncox ido< t ra n s ->(M e v s . IP P) 1 3 .1 0 I l.l7 Massoiadoclecalactone 36.20 r68.5
L i n alool 11.32 t09.5 Massoialactone 27.60 1471
Li nalool<(Z )-8-hydroxy-> 33.6-5 l(rl9 Mayurone 37.09 1109
Linalool<delryclro-> I t.05 | 088 Mayurone<cis-dilrydr.o-> 32.10 1.59-5
by GC/MS
Oil Components
Adams:Essential
22
Al ConrnronNarne RT AI
CornrnonName RT
1423 Merhyl anthranilate <me thyl-n-> 24'86 1405
Mefi'anal 25.60
Methyl benzoate 1 l '07 l08u
Melaleuccll 36.98 1106
Methyl benzyltrutyrate <o-> 23'00 1363
Menth-| -en-7-al<3-oxo-P-> 21.5(: 1330
Methyl benzyl propanoate <o-> l9'31 1280
Menth-l-en-7-al <P-> | 9.00 12'73
Metlrylbiphenyl<4-> 28'35 1488
Menth-l-en-9-ol <P-> 19.96 1294
2.5.-53 t42l Metlryl butanoate 02'43 0721
Mcnth-l -en-9-ol acetate <P->
Methyl butanoate, <3-> l2'03
3-methyl-3-butenyl 1l l2
Menth-2-en- | -ol <cis-P-> 12.29 I I l8
Metlryl butyl acctate<2-> 04"50 087'5
Menth-2-en- I -ol <trans-P-> 13.04 I 136
Methyl butyl hcnzoaLe<2-> 26'24 1438
Menth-3-en-8-ol <P-> 13.4-5 114.5
| Methyl butyl isovaletatc<2-> | I '65 | 103
Mcnth-6-en-2,8-diol <h'ans-P-> 23.37 13',7
f 7.00 lz27 Methyl hutyl-2-rrethylbu{yrate<2-> I I "50 I 100
Mentha-I (7),8-dien-2-ol <cis-p->
| l9-5
Vetnyt chavicol 15'57
Me n tha- l( 7) , 8- c lien -2 -o l < tra n s -p -> l 5 ' 2 4 l l87 1376
07.79 l000 vetnyl cinnanrate <(E)-> 23.-58
Mentha-I (7).S-cliene <meta->
07.89 1003 Mcthyl cinnatnate <(Z)-> 20' 18 1299
Mentha-1(7),8-diene<P->
21.30 1325 Metlrytcitronellate 18'33 1257
Mcntha-1.4-dien-7-ol <P->
Vettryl communate <(E)-> 55'22 2257
Mcntha-1.5-dien-8-ol <P-> t4.32 l166
Methylcomnrunate <(Z)-> 54'47 2231
Mentha-2.4(8)-cliene <P-> 10.94 108.5
Mcthylcyckrhexene 02'61 0740
Mcrrl ha- 2. 8- dicIn- - ol < c i s -p -> 12.93 l l33
Itettryl cyclohexylcarboxylate 09'84 10-5'5
Mentha-2,8-dien- I -ol <trans-P-> 12.33 I 119
Mcthyl claniellatc 5'l '39 2331
Mentha-2,8-diene <cis-mcta-> 01.31 0983
Mcthyl clecanoate 2t '23 1323
Mentlra-2.8-diene <trans-nleta-> 07.18 0919
t0.30 l068 Methyl clecylketone(=2-dodecanone) 24'09 1388
Mentha-3,8-diene <P->
1357 Methyl clehydroabietate 57 '65 2341
Mentha-8-thiol-3<tne <cis-p-> 22.74
Mcthyl clihyclrolasmonate <trans-> 36'05 1682
Mcntha-8-thiol-3-one <trans-p-> 23.?6 l31l
15..5.5| 194 Methyl dihyclro.iasmonate <cis-> 34'99 1654
Menthan-2-one <cis-P->
Methyl doclecanoate 29'82 1524
Menthan-2-one<trans-P-> t.5.75 I 199
Methyl epcruate 54' 15 2220
N,lenthane <trans-P-> 07.03 0913
Vettryl epi-.iasmonat e <(Z)-> 3-5'9 | 1678
lr'lcnthatriene < I ,3,8-P-> 11.86 ll08
08..58 1021 Methyl eudesmatc 31 '40 | 7l t3
l rl e n t hene< l- P - > 1403
0984 Methyleugcnol 24'75
Irlcnthene<3-p-> 01.32
Metlryl larnesoate <(28,6E)-> 39'19 1783
lrlenthothiophene 21.96 1340
Methyl geranate 2l '19 1322
NIc-nthofuran t4.0-s | 159
Methyl heptanoate 08'-57 l02l
lvlenthol 14.39 1161
Methyl heptine carbonate 15'60 | 196
Menthol <8-hydroxY-neo-> 2t.44 1328
Mcthyl hexaclecanoate 44'64 l92l
Menthol<iso-> 14.91 | 179
Methyl hexanoate 05'54 O92l
Mentlrol <rteo-> t4.13 I l6l
l184 Uettryl isoborneol<2-> 14'8-5 I178
Mcnthol <neo-iso-> 1.5.1l
tr.letnylisc'reugenol<(E)-> 28'47 1491
Mentholactonc <cis-> 23.05 1364
23.35 137| Vettryl isoeugenol <(Z)-> 26'18 14-51
Mentlrolactone<trans->
13.55 I 148 Mcrlryliso;rimarate 56'42 2291
Menthonc
I 3'99 | 1-58 Mettryl iasmonatc<(Z)-> 34'74 I (r48
Menthone<iso->
1 9 ' 9 3 1294 Methyl labdanolate -58'80 2381
Me n t hy lac et at e
20'39 1304 Metlryl levopinrarate 56'66 2306
Me nthyl acetate<iso->
18'92 121t Methyl linoleate '50'33 2095
Menthyl acctate<rrco-> 19'92 121)3
29'-50 1516 Methyl myrtenate
tllcnthytisovalcrate 60'48 2443
28'0-5 l48l Methyl neoabietate
Menthyl lactale 19'34 1280
28'49 1492 Mcrhyl nerolate
Menthyl lactate<iso-> 2387
Mcthyl nitloreseclate 58'96
Menrhyl lactate<neo-> 27 '44 1467
Methylnonanoate l6'tt3 1223
Mercaptopropanoicacid <2-> 06'35 0950
Metlryl octaclccanoate 5l '23 2124
Mcsitylene 07 '61 0994
1527 Methyl octanoate 12'50 | 123
Methoxy cinnanralclehycle <(E)-o-> 29'93
Methyt octine cat'bonate | 9'98 1295
Methoxycinnanric acid <(4E)-> 36'11 1700
Methyl o-ani sate 2l ' 12 1334
l,letnoxy-:-1t-nethylpropyl)pyrazine <2-> 14'42 l 168
0969 Methyl p-tert-butylphenylacetate 28'10 1497
Methyl2-l'uroate 06'90
Mcthyl p-anisate 23'33 l3l I
Merhyt2-octenoate <(E)-> 14'22 I 163
| 2385 Mettryl pcnt-2-enolide<4-> (inrpure) 06'21 0945
Methyl abietate 58'9
Mcthylpentanoate 03'-5'5 0821
Methyl u-cyclogeranate 1-5'66 ll9'l
I -I I -
Appenrlixl: AlphabcticalList ot'Clonrpouncls 23
Al Comrnon Narne RT AI
ClommonName RT
18.10 1252 Pyrazine<2,5-dirnethYl-> 0.5. t8 0908
Piperitoneepoxide<trans->
21.51 1329 Pyrazine <2.6-cli rncthyl-> 05.21 0909
Piperonal
28.9-5 1.503 Pyrazine <3-ntethyl-2-isobLrtyl-> 12.90 | 133
Piperonylacetate
41.82 l840 Pyrazine<r.netlryl-> 03..52 08l9
Pipitzol<o-rnethyl,a->
42.30 18.53 Pylazine<nrethylthio-> | | .23 1093
Pipitzol<o-rnethyl,P->
33.19 1607 Pyrazine<tetrantethyl-> 10.86 l083
Platyphyllol
34.89 l6.5I Pyruvicacid 02j5 0682
Pogostol
47.85 2016 Quinoline<6-isopropyl-> 29.23 1.510
Polygodial
19.57 1285 Raspherryketone 30.67 l545
Pregei.jerene
r9.05 1274 Raspbcn"ykctone,methyl ether 28.5.s 1493
Pregci.icrene B
29.05 1505 Resveratrol 67.83 2729
Pretnnaspirodiene
31.9| 1.57.5 Rctene 53.96 2214
Prenopsan-8-ol
1.5.30 l l 89 Rimucne 43.79 l tt96
Prcnyl angclate
28.19 148.5 Rimuene<tetrahydro-> 45.99 1960
Prenylbenzoatc
<2-> t6.86 1224 Rosa-5.l -5-dienc <ent-> 4-5.06 1933
Prenyl cyclttpentanone
03.62 082.5 Roseoxide <cis-> 11.71 | 106
Plcnyl lhnnate
| 9.84 1292 Roseoxide <trans-> 12.45 | 122
Prcnyl hexanoate
09.-57 1048 Roseoxide <tlans-dihydlo-> 10.31 1068
Prenyl isobutyrate
26.44 1443 Roseoxide <cis-dihydro-> 09.17 1037
PrenylIirnonene<cis->
21.04 1451 Rosellran cpoxide 14.6.5 I173
Prcnyllirnonene <trans->
21.70 1334 Rositirliol 32.89 l (r00
Presi Iphi perh rI-7-enc.
32.30 l -s8.5 Rotr"rndene 27.05 1451
Presilphiperlblan-8-ol
26.48 1444 Sabinaketone 13.83 I 1.54
Prez,izaene
44.98 1931 Sahinaket.one<dehydro-> 12.25 | | l1
Procerin
04.9'l 0901 Sabinene 06.91 0969
Pro p anal. 3- m c t hy lth i o -
06.90 0969 Sabincnehydrate<cis->(IPP vs. OH) 10.20 106'5
Pro p anol. . 1- nt et hy l th i o -
04.91 0898 S abi nene hydrate< trans->(IP P vs' OH ) I1.4I 1098
Propyl butanotttc
Propyl chromone<2-> 36.98 ll0() Sahinenehydrateacetate<cis->
08.99 1032 (cis for Ac vs. IPP) 16.62 l2t9
Propvltiglate
Pseudt''phytol<(6E.l0I1)-> 49.16 20.s8 Sabinenehyclrtrteacetate<trans->
47.91 2018 (Ac vs. IPP) t8.12 1253
Pseudoph1'tol<((rE,. l0Z)->
48.29 2030 Sabinol<trirns->(lranslor'OH vs. IPP) 13.f0 ll37
Pscudoph1'tol<t62. I 0E)->
46.93 1988 Sabinyl acetate<tlans-> (lPP vs' Acetyl) 19.73 1289
Psctrdo phr-tol <t 62. | 0 Z) ->
<(E)-> 41.8-5 l84 l Sall"anal 15.64 l196
Pseudoisoeugenyl 2-meth1'lbtrtyrate
<(E)-> 38.24 1140 Satiole l9.56 128.5
Pseudoisoeu-eenyl isobutyrate
28''15 1498 Salicylaldehyde 09.23 1039
Pseudowidclrene
| (r.9-5 1226 S l l i cyl ate.2-cthyl hcxY l - 40.6-5 1807
Pulegol<cis->
16.3-5 1213 Salicylicac,id.butyl estcr 21.54 1469
Pufegol <trans->
17.21 1233 Salicylicacid,hexyl esl.er 35.7.5 1674
Pulegone
3 2 .1 4 l 58l Salvene<(ll)-> 04.20 08.58
Pyg m aein
27.89 1477 Salvenc<(l)-> 04.01 0847
Pyran-2-one<6-nonyl--5.6-clihydro-2H>
imethyl-7-isobutyl- Salvial-4(l 4)-en-I -one 32.66 1594
Pyran-5-one <2,2-d
40.74 l809 Sandalore 28.72 t491
2H,.5H-pyranol4,3-bl->
Sandaracopimnra-8( I 4), I -5-diene 46.26 1968
Pyran--5-one <2,2-dimethyl-7-sec-hutyl-
40.49 1802 Sandaracopi nrarinal .5.3.06 2184
2H.5H,p1'rano [ 4.3-b]>
08.41 l0l7 Sandaracopirnarinol 55..58 2269
Pytazine<2-acetyl->
13.89 I156 Santalene <0-> 25.31 1416
Pyrazine<2-acetyl-3-ethYl->
10.7l 1011) Santalene <p-> 27.05 1457
Pyrazinc<2-acetyl-3-methYl->
05.29 0912 Santirlene<epi-|3-> 26.51 1445
Pyrazine<2-ethyl->
07.85 1002 Santalenone 3l .92 l.57fi
Pyrazine <2-ethyl-3-methYl->
04.86 0896 Santalol<(E)-B-> 38.15 1738
Pyrazine<2-melhoxY->
Santalol<(7)-[]-> 31.31 l7 l5
Pyrazine <2-rnethoxy-3-(2-methyl
14.91 1179 Santalol<(Z)-epi-P-> 36.84 1702
propyl-)->
(2-rnethoxy-3-methyl-> 06.8.5 0961 Santalol<(Z).u-> 35.14 1614
Pyrazine
-> 10.79 108| Santalolacetate<(E)-P-> 42.19 1867
Pyrazine<2,3-diethyl
0.s.38 0915 Santalolacetate<(.7')-a-> 39.-59 1171
Pyrazine<2,3-dimethYl->
07.71 1000 Santafol acetate<(ZYp-> 4 t.0.5 l8l8
Pyrazine <2,3,5-trirncthYl->
Appcndixl: Alphal.rctical
I-ist ol' Cornyrounds 21
AppendixII
RT Al ComrnonNatrte RT AI CorrrrnonName
1.72 998 Octanal<n-> 9.l9 1933 lJcptylacelate<2->
t).20 1038 lrthyl hex-(2E)-enoate
7.14 998 Furluryl methylsulllde
7.15 999 Yonrogialcohol 9.23 1039 S al i cyl al dehyde
1 .11 l000 I)ecane<n-> 9.33 1042 Hexalactone<y->
1 .17 1000 Pyrazine<2,3,-5-trintethyl-> 9.42 1044 Ocimenc<(Ir)-[J->
1 .79 1000 Mentha-| (7).8-diene<meta-> 9.45 10,15 lsobutylangclate
'7.84 l00l Cat'ene<6-2-> 9.-50 1046 Methyl-2-cyclohexen-1-one
1 .81 100I Hexenylacetate<(3ts)-> 9.5| 104(r A rhuscttl onc < ci s->
7.85 1002 Phellandrene <u-> 9.5I l046 Tagetone<dihydro->
7.85 I002 Pyrazine<2-ethyl-3-methyl-> 9.52 1047 Octen-l-ol<(37')->
7 .8 9 1003 M ent ha -l (7 ),S -d i e n e < p -> 9.51 | 048 Prenylisobutyrate
7.91 1003 Ethyl-(.31i)-hexenoate 9..59 1049 Octcn-l-al<(2E)->
1 .93 100,1 Hexenyl acctate<(.32)-> 9.62 I049 Pentylisohutanoate
7 .96 100.5 Cresolmethylether<o-> 9.64 1050 lltltyl levulinate
1.99 1005 Heptndienal <(2E,48)-> 9.65 1050 Cresol<o->
'7.99 1005 Hexenoicac:id<(2E)-> 9.61 l0-51 Bergantal
1 .99 100-5 Pentyl Propanoate 9.12 I0-52 Isopentyl hutanoate
8.01 1006 Linalool oxidc <dchydroxycis-> 9.77 1053 Naphthalene <trans-dccahydro->
8 .0 3 l( X ) 7 S y lv esl t' c n<ei s ()-> 9.18 l0-54 Terpinene<Y->
8.0-5 1007 Hexyl acetate 9.79 105,1 Acetylpyrrole<2->
8.05 1007 lsoamylisobutYrate 9.84 10.5.5Methylcyclohexylcarboxylate
8 .1 0 1008 Car ene< 6 -3 -> 9.88 l0-56 Artemisiaketone
8 .1 7 1010 Hex en y l a c e ta te < (2 E)-> 9.89 1057 Thiophene<2-hutYl->
8 .1 8 101I l) ic lr lo ro h c n z e n e < 1 ,4 -> 9.92 l0-57 Benzc.ne metlranol<u-methyl->
8 .2 2 l0l2 Cineol e< 1 ,4 -> 9.9-5 1058 Norbornene-2-mcthanol<exo-5->
8.24 I0I2 Isopt'opyl-4-methyl tlriazole<2-> 9.99 | 0-59 Aceto;rhenone
8.21 l0l3 Heptadienol<(2lr,4f:,)-> 10.00 1060 lsobtrtylacetoacetate
< c r-> 10.02 1060 Flcxenyloxy-acetaldehyde <(3iZ)->
8 .3 0 l0l- 1 T er pin e n e
8 ..12 101. 1T hiaz o l e< 2 -a c e tYl -> 10.03 1060 Octen-l -ol< (2l r)->
8 .3 4 l0l- 5 A nis ol e< P-n re th Y l -> 10.09 1062 Tolualclehyde <o->
8 .4 1 l0l7 lr t hy l2 -mc th y l -2 -p e n l e n o a te < (E )- > l0.l | 1063 Hexadienolacetate<(28,48)->
8 .4 1 l0l7 P y r az i n e< 2 -a c e tYl -> 10.11 1063 Octanol < n->
<3-methyl-I '2-> 10.| 2 1063 Hexenyloxy-acetaldehycle <(38)->
8.43 l0l7 Cyclopentanedions
8.51 I0l9 trthyl 2-methyl-2-pentenoate <(1')-> 10.l-5 1064 Tolualdehyde<meta->
8.53 1020 Cyntenc<P-> 10.20 1065 Octenol<62)->
8.57 l02l Allyl tiglate 10.20 106-5Sabinenehyclrate<c:is->(IPP vs. OH)
8.-57 l02l Methyl hePtanoate 10.22 1066 Arbusculone<u'ans->
8 .5 7 l02l T r im et h y l h e n z e n4e,2 ,4 -> 10.23 1066 Octanone<5-hydroxy-4->
8 .-58 l02l M ent h e n e< l -P -> 10.29 l06l Linirlooloxicle<cis->(furanoid;
8.-59 1022 Cynrcne<o-> 10.30 1068 Mentha-3,8-diene <P->
10.30 1068 Norbornene-2-rnethanol <endo--5->
8.69 1024 Limonene
8.70 102-5Phellanclrene <B-> 10.3I 1068 Roseoxide <trans-dihydro->
8.73 l025 Sylvestre,ne 10.35 1069 l)ihyct'onryrcenol
8 .7 6 1026 Cineol e< l .t3 -> 10.43 1071 Benzyl firrmate
8.17 l02fr Bcnzyl alcohol 10.43 l 07l C l esol < p->
8.80 1027 Hexanoicacicl<2-methyl-> 10.45 1072 Cresol<meta->
8 .8 3 1028 A c et Y l PY ri d i n<e2 -> 10.52 10"74Heptanal,dirncthylacetal
8.89 1030 Thiazole<2-isohutyl-> 10.61 1076 V erl oci tral C< ci s->
8.90 1030 Octcn-2-one <(3E)-> 10.66 1071 Tolualclehyde <P->
8.95 103I Furan<2-acctyl-5-rnethyl-> 10.70 1078 C ampheni kne
8.96 1032 ()cirnene<(Z)-F-> 10.1| 10"19 Pyrazine<2-acetyl-3-rnethyl->
8.99 1032 ProPYltiglate 10.12 1079 Allyl hexanoate
9.03 1033 Hexanoicacid <-5-methyl-> 10.76 1080 Artenrisiaalcolrol
9.04 1034 l-avenderr lactone 10.76 1080 Benzene<2-methoxyethyl->
alcolrol 10.78 l()8I Acetyl-2,-5-dirnethyl furan<3->
9.06 1034 Sarrtolina
9.14 I 036 Benzene acetaldehYcle 10.79 l 08l P yrazi ne< 2,3-di ethyl ->
9.11 1037 Roseoxide <cis-dihyclro-> 10.80 l08l Flexenal<(27')->,cliethylacetal
AppcndixII: Conrpounds
l-istedin Orderol-Elution
on DB-5 tf
13.-5 I I 147 Butanoate<3-rnethyl-2-butenyl 3-methyl-> 14.38 | I67 Isopul egrl< neoi so->
1 3. 54 I 148 T age to n e < (Z )-> 14.38 I 167 U mbcl l ul one
I 3. 55 I | 48 M ent h o n e 14.39 1167 Menthol
14.42 ll68 Methoxy-3-(1-methylpropyl)pyrazine <2->
1 3. - 57ll48 ls oetm Yl ti g l a te
t 1.43 | I 68 Mcthyl (2-lirryl
-.3 )acrolein <(22) ->
l -3 . 58I 148 Cit r o n c l l a l
13.59 l 149 lJthylhexyl acetate<2-> 14.47 | 169 Ethyl benzoate
13.59 I 149 Nonadienol<(38.62)-> 14.48 I169 Artcnrisylacetate
14.48 | 169 N ccrodt' < l ci s-c->
1 3 . 60 I 149 T hul a n o < l n e o -3 ->
l3.62 | 149 IsohutYlhexernoerte 14.50 | 170 FurlurYll-rulanoate
14.52 | 170 Linalooloxide<cis->(pyranoid)
13.64 I 150 Nonadienal<(28,62)->
l -1. 7. 111. 52llc nz c n e< P e n l Y l -> 14.54 lll1 SantolinYlacetate
14.57 | 172 Pinocattrphone <cis->(=cis-3-pinanone)
1 3 . 14 1l- 52 None n -l -o l< (3 7 ,)->
13.79 | l-53 Phenyl-tert-butanol 14.(r0| 172 Phenylethyl lbrmate<2->
1 3. 80 I 154 Ner o l o x i d e 14.64 | 173 Linalool oxicle<tlans->(pyranoid)
14.6-5l l 73 R oscl uran eP oxi de
13.82 | 154 Karahanacnone
l 3 . 83 I l- 5; l P inc n eo x i d e< B -> 14.66 | 174 Terpincn-4-ol
13.83 I 154 Sabinaketone 14.12 | | 75 IsoamYlacetoacetate
14.12 | 175 Octanc< l ,l -cl i methoxy->
1 3 . 86 I 155 ls oP u l e g o<l i s o ->
<2'-> 14.73 | l7-5 Benzencaceticacid' r-rrethyl ester
l3.87 I l -5-5Hydroxy acetophenone
I3. 87 I 155 ls ob o rn c o l 14.16 | 176 DicthYlsttccinate
13.89 l l-56 Pyrazine<2-acctyl-3-ethyl-> 14.18 l176 Cymen-8-ol<nreta->
11.78 | 176 PinocamPlreol <iso->
| 3.89 I 156 Terpineol<cis-dihydro-p->
14.'18| 176 Verbanol <iso->
1 3. 91 l 156 P en ty lc y c l o h e x a -1 ,3 -d i e n e
14!79 ll11 Dec-1-en-3-ol
1 3. 94 11. 57Non e n -1 -a<l (2 E)->
l-3.9-5I l-57 Lavandulol<tetrahycho-> 14.82 | 177 lsocitral<(E)->
13.96 l 157 llenzyl acetate 14.82 l l 77 S antal one
l -1.99| l-58 Mcrrtlronc<istt-> 14.84 I 178 N aphthal ene
AppendixII: Compounds
t.istedin Orderof Elutionon DB-5
-1 |
RT AI (lornmon Nanre
RT AI CornmonNantc
17.00 1227 Mcntha-l(7).8-clien-2-ol <cis-p-> 18.24 1255 Decen-I -ol <(47')->
11.02 1228 l)avanone<nor-> 18.29 1257 Benzyl Propanoate
17.01 1229 Hexcnyl 2-nrcthylbtttanoate<(32)-> 18.33 1257 Mcthyl critronellate
17.09 1229 tsenchylacctate<exo-> 18.34 l2-58 Myrtanol<trans->
f 8.38 1259 C i nnamyl al cohol < (Z)->
1 7 .1 5 l23 l Linalo o la c e ta te < te tl a h y d ro ->
17.19 1232 Thynrol,nrcthylether l8.38 12.59 [)ecen-l-ol <(4F])->
17.22 1232 Hexenyl3-rnethylhutanoate <(32)-> 18.42 1259 Carvoneoxide <cis->
11.23 1233 Hexyl 2-rnctlrylbutanoate <n-> 18.44 1260 Decenal<(2E)->
I 8.5I | 261 Chrysanthenyl acetate<cis->
11.23 1233 Thiazole<5-acctyl-2,4-dirnethyl->
11.27 1233 Pulegoue 18.-5 I 126| Guaiacolacetate<o->
11.28 1234 Ascarickrle 18.57 1263 l)ec-9-en-l-ol
11.30 1234 Citronet I it.-58 | 263 Antbersagc
17.3O1234 l)ecen-2-one<(3E)-> | 8.62 l2(r4 Gelanial
11.32 123-5Neral 18.62 1264 Phenol<2-(lE)-propenyl->
11.32 1235 Ocirnenone <(E)-> 18.'71 1266 Ascariclolglycol <trans->
17.33 123-5Chr"ysanthenyl acetate<trans-> 18.12 l2(t6 F,thylsalicylate
11.36 1235 IsobornYl firrnrate 18.73 1266 I)ccanol< n->
18.74 1267 Cinnamaldchyde <(lJ)->
17.41 1238 CurninaldehYcle
11.17 1238 No.iigikuacetate 18.75 l}(fl Thu.ianolacctate<iso-3->
1 7 . . 191238 Hex y l -(2 8 )-b u te n o a l c 18.'771267 lsopropylphenylacetate
1 7 . - 501239 A nis a l d he y d e< o -> 18.71 l2(r7 Nonanoicacid
1 7 .5. 112. 39Calv o n e 18.79 | 268 Lavandukrlacetate<tetrahydro->
I 7.59 I ll 1 Hcxyl isovalerate l 8.80 1268 l )ecen-l -ol < (2E )->
17.60 ll-l 1 Hexenylisovalerate <(22)-> 18.82 1269 Furlirrylpentanoate
1 7 .61 I llI Car v a c ro ln, l c th y le th e r 18.83 1269 P eri l l aal dehY el e
17.69 lJ-1 Benzerreo."1i. ac:id,ethyl ester | 8.84 1269 Tetrahydrojasmone<cis->
<(28)-> l8.87 1270 tithyl chrysanthetnumate <cis->
t] .11 lJ3 Herenvl isovalcrate
18.89 f 270 Nonenal<dimethyl acetal-(32)->
l1 .72 | 2-lJ Carvotanacelone
11.15 l2-l-l Car-3-en-2-one 15.92 l2l1 Citronellyllirrmate
17.17 12-15Perillaketone 18.92 121I McnthYl acetate<neo->
17.80 124-5Ethyl oct-(2E)-enoate 18.99 I 272 Lintrktol acetate<dihydro->
l1 .83 1246 IsoarnYlhexanoate 19.00 1273 Menth-l-en-7-al<P->
17.83 | 246 lsogei.ierenc C 19.02 1273 Carvoneoxide <trans->
11.84 1246 Heptyl isobutanoate 19.04 1273 Thr-rjantllacetate<neo-3->
17.85 1247 Anis aldehYde <P-> 19.05 1214 lsopulegylacctate<neo->
19.05 1274 Plcgei.ierene B
1 1 . 85 1247 Chav i c o l
17.85 | 24J Pirtocarnphone <trans-2-hydroxy-> 19.0-5f 214 Thio tose oxide <cis->
19.10 1275 Hexenylan-qclate <(32)->
11.86 1241 Butyl levtrlinatc
<(2I'',4I1')-> 19.l0 127-5Isopr-rlegyl acetate
11.gl 1248 Hexadienolbutanoate
19. 15 1276 Octalactone <6->
11.93 1248 Thyrnocltrinone
19.18 1277 flthyl chrysanthemutnate <trans->
17.95 1249 ButyroPhenone
11.95 1249 Geraniol 19.19 1271 Nonanal.dirrtethylacetal
17.95 249 PiPeritone 19.22 1278 Allyl octanoate
11.96 1249 Anethole<(7')-> 19.23 1278 N opol
11.96 1249 Mcthyl pentylangelate<3-> 19.24 1278 AnisYIalcohol<P->
l'7.91 l24L) Isoquinoline f 9.28 I 279 Hexenyl valelate<(32)->
19.30 12'19 Ethyl acetophenone <p->
Iu .00 1250 M y r t i rn o<l c i s ->
vs' IPP) 19.31 1280 A ni syl al <
cohol meta->
18.00 l2-50 Piperitoneepoxicle<cis->(epoxide
19.3I 1280 Methyl benzylpropanoate <o->
18.02 12.50 Octalactone <Y->
I 8. | 0 | 252 Piperitone epoxide<trans-> 19.32 1280 Neryl tbrmate
19.32 1280 Octen-3-olbutanoate <l->
18.t2 l2-53 Sabinenehydrateacetate<trans->
(Ac vs. IPP) 19.34 1280 Ethyl menthone<2->
| 8.l6 12-54Linalool acetale 19.34 1280 Methylnerol al e
18.20 125,1Catechol<3-rnethyl-> 19.3-51280 Verbenylacetate<cis->
18.20 l2-54 Phcnylethyl acetate<2-> 19.38 128| Tlrujanolacetate<neoiso-3->
1 8. 21 1255 Cat v e n o n e 19.40 I 282 Ethyl-2-octynoate
18.22 1255 Benzenemcthanol <2-hydloxy-> 19.40 1282 Hcxenylvalerate<(22)->
A|pcntlix I[: Cr)nr|()unds
l,istedin Olclcrof'Iilution on l)B-5 \9
RT AI CuntntonNarno RT AI Cot-nmonNarne
t9.42 1282 Nccrodolacetatc<tl'ans-0-> 20.141298 Carvacrol
r9.431282 A nc t h o l e< (B )-> 20,11 1299 Tcr'1.rinen-4-olacetatc
19.,t.5
I 2133lsopulegylacetttc<iso-> 20.t8 129t) Methyl cinnanrate <(/,)->
19.4612133 Tcrpincn-7-al<u-> 20.18 1299 Nccroclolacctatc<cis-s->
19.4812t33(iogcijerene 20.18 I 299 [Jndec-I 0-en-l-al
r9.48 l2rJ3 lsobornylacclatc 20.19r300 Tridecane<n->
l9.-5
| 1284 Undccanol<6-> 20.20t300 Unclccenal <(8Z1-s
t9.-s2t284 [Jndecanol<-5-> 20.22 1300 Terpinyl acetate<trans-dihyclro-a->
t9.-53t28-5Cyclopcntadicnc carboxylicacid <3,4.-5,5- 20.26 I .r0| Undecanol<2->
tetlanrethyl-
1.3-> 20.29 1.102Elsholtziaketone<p-dehyclro->
t9..s6128.5Saliole 20.29 1302 V ani l l i n< o->
re.57 r28.5Prcgci.jelene 20.3(11303 Cinnarnylalcohol<(Il)->
19.601286 Hydroxy citt-onellal 20.3Cr 1303 Nonadicnolacetate<(28,67,)->
19.(r01286 [Jndc:can-4-ol 20.39l304 Mcnthyl acctate<iso->
19.621287 Bornyl acetate 20.401304 ll utanoicacid.2-ntetlryl-4-nrcthylhexylester
t9.62 t28l Fenchol<2-ethyl-cnclo-> 20.42 1305 Cresolisobutyrate<p->
t9.64 t28l [Icrxenylvaleratc<(2E)-> 20.4.st305 Undecanal
19.641287 l.inakxrloxide acctaLc<trans->(pyranoid) 20.481306 Dilrydrocarvcolacetate
r9.64| 287 Pearlate(=3-octcnql.pfopatloate) 20.48130(rl)ihych'ocarvcolacetatc<neo->
r9.671288Lir-nonen- l0-ol 20.49 l30(r Nonenolltcetate<(2E)->
r9.68t288 Tetraclccatri e'ne <( 37^67^92)-> 20..58t308 Vsrbanolacetate<is<t->
r9.69 t288 Cyc:lopcnt-2-cn- | -one<2-pentyl-> 20.59t309 Guaiacol<p-vinyl->
19.701288 LavanclulylacL:tatLl 20.61t309 Tetlahydro.iasnrone<trans->
r9.71 1289 Thyrrol 20.631309 Carvotanacetone <6-hyclrory->
19.731289 Sabinylacctate<trans->(IPP vs. Acctyl) 20.63t.r09 Vcloutone
t9.14 1289 Butyl heptanoate 20.(14 | 310 Adarrrantanone <2->
t9.14 1289 Cyrlen-7-ol<p-> 20.64l.r| 0 Isclarnylbenzylether
lL).76t290 Acetanisole<o-> 20.68l3tl Pinocarvylacetate<cis->
19.76t290 Inclole 20.69t3l I Nonanyletcctate <n->
19.761290 "[erpincn-7-al<y-> 20.(1913I I Sesarnol
It).11 1290 T lidc c c n c< l -> 20.70t3 | | Unclcc-9E-en- 1-al
19.83 t 29l Vcrl.rcnylacetate<trarls-> 20.131312 l strpul cuylacclal L'< rrcoi so->
19.841292 Prcnylhexanoate 20.14 t312 Cyclohcxanolacetate<trflns-2-tert-butyl->
r 9.8.51292 Cyclohexanolacctate<cis-2-tcrt-hutyl-> 20.75t3t2 Citronc,llicacid
r9.86r292 Dccadienaf <(2h.47) -> 20.79l3t3 Trinrctlrylhenzalclehydc <2,3,4->
t9.90 1293 t]nclccanone <2-> 20.83l.rI4 Cryptone<4-hydroxy->
19.921293 I sorncrrtlrone <2-etlryl-> 20.ri7t 3l5 I)ecadicnaf <(2F^4b)->
19.92t293 Methyl nryrtenate 20.88 I .t1.5 Hexcnyltiglate<(38)->
19.92t293 Undccanol<.1-> 20.90l3l(r Terpinylacctate<6->
t9.93 1294 Carr4rhorquinone 20.9l t3l6 Tcrpinyl acetate<cis-dihydro-u->
19.931294 I\4cnthylacetate 20.93t3t6 Ci tral <clinrethoxy-(Z)->
19.94l2L)4 P er ill aa l c o h o l 20.94 t3t6 Patchcnol<(7,\>
19.941294 Phcnylcthano< | -nitro-2-> 20.96 l3t7 Cycloisolongi lirlenc<diclchydro->
19.951294 Thio roscoxide <trans-> 2t.00 t3t8 Ci nnarrraldehyde <a-rncthyl->
t9.96 1291 Mentlr-|-en-9-ol<p-> 2r.01 l3t8 Pinancdiol<cis-2..1->
r9.981295 Methyl oct.irrccarbonate 21.02 t3l8 Methyl thuiate
t9.e8 129.5Tlru.ianolacctatc<3-> 2 t.04 l3 t9 l)ihydlo citronellolacetate
20.o5 t296 Nonadicnol acetate<(3t',,(tZ)-> 2t.{t41319 I)irnethylphcnethylacctate<o, o->
20.081297 Fenchol<2-ethyl-cxo-> 2 | .0.st.319Verban()lacctalc<nc()->
20.09 1291 13cnzylisobutanoate 2t.07 t3t9 I)ccadicnol<(28,48)->
20.10 1291 Carvacrol,ethyl ether 2t.07 l3l9 Hexenyltiglatc<(32)->
20.ll 1298 Acctophenone <3'-nretlroxy-> 21.t| 1320Flexyl2-nretlryl-3-pcntenoate
20.1 1298 Azulene' 2t.16 t321 Nonyne< l, | -clirnethoxy-2->
20.1t t 298 Gerranyllirrnrate 2l.t1 1322 Unclec-92-cn- l-al
20.1I t29ri Irinocarvylacetate<lrans-> 21.181322Jasnronol<trans.(E)->
20.t2 t298 Carc;ue'iol acctatc 21.191322 Mcthyl geranate
20.| 3 l29tt Octenolpropanoate<(52)-> 21.23132-\Methyl dccan()ate
40 ()il Components
Adams:Essential by GC/MS
AI CommonNar-ne RT AI CornrnonNar-ne
2l.28 1324 Phenylethyl oxyacetaldehyde 22.69 135(r Dihydro carveolacetate<neoiso->
21.29 1324 Myttcnyl acetate 22.70 13-56Ilrgenol
21.30 1325 Mentha-1.4-clien-7-ol <p-> 22.73 l3-57 Nepctalaclone<4au,7a,7aa->
21.36 1326 Dihydro carveolacetate<iso-> 22.74 13-57Mentha-8-thiol-3-one <cis-p->
21.37 1326 Linronencaldehyde 22.14 13-57Undecenal<(2E)->
21.31 1326 Silphiperlbl-.5-ene 22.77 1358 S i l phi perl bl -4.7(14)-di ene
21.39 1327 Hasnrigone <(Z)-> 22.18 1358 Nonalnctone <y->
21.39 1321 Isohutylhenzoate 22.80 1359 lJecenoicacid <9->
21.13 | 328 Jasrnonol<cis,(E)-> 22.81 1359 Neryl acetate
21.11 1328 Menthol<8-hydroxy-neo-> 22.83 13-59Hydroxycitroncllol
2 | ,4-51328 Patchenol<(Ir)-> 22.89 136l l)anrasccnone <(7.)-g->
2 | . 1. 5 1. 128V c r h a n r)la e c l a tc< n c o i s o -) 22.90 136l U ndeccnol< 10->
2 I . 5l 1329 P ipero n a l 22.93 136| Anisalclehyde' <p->, dimethylacetal
II.- 52 1330 A nis y l fo rm a te 23.00 1363 Methyl benzyl butyrate<a->
I L-51 13.30 Hexyl tiglate 23.02 1364 l)ccanoicacid
I | .56 I .1-10Nlenth-1-en-7-al<3-oxo-p-> 2.1,0.5l-j(r4 Mcnlholactone <cis->
I1 . 6. 1 1. 1. 11P ipc ri ttrla c c l a te< c i s -> 2.l.Ott1.1(r5Carvyl acctatc<cis->
I1 .68 l- 13. 1Has n ri g o n<c(E )-> 23.08 1365 Undecenol<(28)->
21.7(l l-1-11Presilphiperlol-7-ene 23.l0 136-5Undecanal<2-nrethyl->
21.72 l-13-l Anthranilatc<rrethyl-> 23.11 1366 llydr"ocinnarnyl acetate
)l .l2 1. 1. 11Nlet h iI o -a n i s a l c 23.12 l-366 Piperitcnone oxide
21.73 1-l-14Linaloolpropanoate 23.15 1366 Iiugenol<dihydro->
21.76 133-5Bcnzenemcthanol <4-hydroxy-> 23.16 l3fi7 Furfirrylhexanoatc
21.71 1335 Elemene<6-> 23.19 1367 U ndecanol < n->
2 | .80 | 336 Phenylpentan-3-onc < I -> 23.23 l3(r8 Olcinol
21.82 l33fi Isosaflole<(Z\-> 23.25 1.369 Cyclosativcne
2 l .85 1337 E v ocl o n e 23.32 1370 Carvact'olacetate
21.90 1338 Citral <climethoxy-(E)-> 23.33 1371 Methyl p-anisate
2 1.9O 1. 1. 18I ndir n o<l .5 -> 23.35 137| Mentholactome <tl'ans->
21.92 1339 Benzencmethanol(3-hydroxy-> 23.36 l31 l Mcnlha-8-thiol-3-one <trans-p->
21.92 1339 Octancdiol<2.4-> 23.37 l3ll Longicyclene
21.95 1339 Butanone<3-hydroxy-4-phenyl-2-> 23.37 l3l I Menth-6-en-2,8-diol <trans-p->
21.95 | 339 Cart yl acatate<tfans-> 23.38 1312 Angustione
21.96 1310 Me ntho thiophene 23.12 1373 Benzencacetonitlile<3-rnethoxy->
2 |' . 97 1340 l) ihy d to i s o i a s n to n c 23.43 1373 Linaloolisobutanoate
2 l . 98 l3z l0 P ipe ri te n o n e 23.43 1373 Ylangene<0->
22.00 1340 Verbanolacctate 23.45 1373 Isosall'ole<(E)->
22.09 1342 Nicotine 23.48 1314 lsolsclcne
22.10 1343 Piperitolacetate<trans-> 23.49 1374 Copaene<0->
2 2. 13 1343 B enzy lb u ta n o a te 23.51 1375 B i phcnyl
2 2. 18 13, 15S ilph i n e n e 23.52 137-5l)ec,ane <l .l-dimethoxy->
22.20 134.5Silphiperlbl-.5-ene <7-epi-> 23.55 1316 lJthyl cinnantarc<(1.)->
22.24 1346 Phenol<2,(r-dinrertlroxy-> 23.-5-5l37Cr lonol <a-(E)->
22.26 1346 Terpinyl ercetate <tr-> 23.-581376 Methyl cinnantate <(E)->
22.30 1347 Acetophenone <4'-nrcthoxy-> 23.61 1377 Silphipellbl-6-ene
22.30 1347 Carvon'renthyl acctate<neoiso-> 23.65 1378 Allyl nonanoate
2 2. 31 1347 T r iace ti n 23.65 1378 Hexenyllrcxanoate <(37)->
22.33 134-5Cubebcne<c-> 23.66 1378 Counrarin<3,4-dihydro->
22.38 1349 Thymol acetatc 23.67 1378 .Iasrnone<dihydro->
22.41 1350 Citronellylacetate 23.69 1379 Dictarnnol<8-epi->
22.11 13-50Longipinenc<G-> 23.70 13"19 Geranylacetate
22.41 l35l Phenylethyl propanoate <2-> 23.10 1379 Patchoulene <B->
22.48 135l lrthyl nerolate 23.13 | 380 Nonadienal <cliethyltrcetal-(2F',62)->
22.51 1352 Trimethylhenzaldchyde <2,3,6-> 23.74 1380 Anisole<p-bur( lE)-enyl->
22.57 1353 llutyl butyryl lactate 23.14 1380 Daucene
22.64 13"5-5 Danrascone <(Z)-0-> 23.15 1380 Anisyl methylkekrne
22.65 13-5-5Hydroxybenzaldehycle <4-> 23.7-51380 Ethyl-(4Ir)-decenoate
I- tIT
Appcnclixll: CompoundsI-istcdin Ordel ol'Hlutionon I)B-5 4l
RT AI ConrnronNarle RT Al CornmonNarne
25.90 l'430 Copaene<p-> 26.80 1452 Cinnarnicacicl<(E)->
25.94 l43l Xanthostemone 26.80 1452 Ckrvene<0-ne0->
25.95 143| Gulitrnene<p-> 26.81 1452 Arbozol <exo->
25.95 l43l Isot"rornylisobutanoate 2(t.82 1452 Hunrulene<q,->
25.91 1432 Coumarin 26.83 1452 Neryl propanoate
25.99 1432 Berganrotene<o-trans-> 26.83 1452 Vanillin <ethyl->
26.00 l,433 Arbozol <endo-> 26.84 1152 Jasmonylacetate<(Z)->
26.03 1433 Isoanrylbenzoate 26.8-5l4-53 Gcranylacetone
2(t.06 1434 Neryl acetone 26.85 1453 K husi nrene
2(r.08 1434 H,lernene <y-> 26.90 1454 Car"vylpropanoate<trans->
26.08 1434 Ionone<dihydro-B-> 26.92 1454 Ferrnescne <(I1)-0->
2 6 .1 2 1435 Nez uko n e 26.92 1454 Patchoulene <u->
26.15 1436 Lavandulylacetate<hydroxydihydro-> 26.9() 1456 l\,lnl11rlpropionatc
2 6 .1 6 1436 Hur r r u l e n<eB -> 27.04 1457 Crowencin
2 6 .1 6 |436 ls ubazz a n c n c 27.04 1451 Prenyllimonene<tlans->
26.19 1431 HyacinthRody #3 27.05 1457 Decenal<(47.)->,diethylacetal
2 6 .2 0 l43l G uaie n e< s -> 27.05 1451 Rotunclcnc
26.24 1438 Methyl butyl benzoate<2-> 27.05 1451 Santalene <p->
26.24 1438 Phenylpropyl isobutanoate <2-> 27.05 1451 Sesquisabinene
16.25 l:138 Nerone<trans-> 27.01 1458 Aronradendrene <allo->
1 6 .16 lJ 19 A nr hr i n o <l c i s -c -> 27.08 1458 lonol <a-isonrcthyl-(E)->
16.17 l-139 Aromaciendrene 21.10 1459 Cyclamenalclehycle
16.17 l-l-19 Phenylethyl butanoate <2-> 21.10 1459 l )i furfurylsul fi dc
16.-ll l-l-10 Barbatene <B-> 2l .16 1460 Arornaclendrane <clehyclro->
26.31 lll0 Phenolacetate<2,(r-climethoxy-> 21.18 l46l Ageratochrorrrcne <6-demethoxy->
2 6 .11 l- l- 10 P inoni ca c i d 2l .18 l 46l C acl i na- < ci s->
l (6),4-di ene
26.-l-i l+10 Farnesene <(Z)-$-> 21.23 1462 Cabreuvaoxide B
2 6 .37 l44l Cedr a n e 27.32 1464 Acoladiene<u->
26.39 1442 Cuaiadiene<6,9-> 27.33 1464 Caryophyllene <9-epi-(Ir)->
26.42 1442 Isoarnyloctanoate 21.33 1461 l)oclecenal <(211)->
26.44 1443 Prenyllintonene<cis-> 21.35 1465 l)ecalactone<y->
26.4(t 1443 Cinnarnylacctate<(E)-> 21.35 1465 Ishwarane
2 6 .4 6 1443 llidola c to n e < l ra rrsc. i s -> 27.35 1465 Muurola-4(l4).-5-clicne <cis->
26.41 1444 Aoetylacetophenonc <p-> 27.37 1465 lithyl cinnarnate <(li)->
26.47 1444 Rakerol 21.38 1465 Thuiopsacliene <cis->
26.47 1441 Citronellylplopanoate 21.42 1466 Furfurylhcptanoate
26.47 1444 Naphthalcne <l-nretlroxy-> 27.43 1466 CabreuvaoxicleC
26.48 1444 Prezizaene 27.43 1466 Linalool isovalerate
26.49 1444 Vestitenone 21.44 1467 Menthyl lactate<neo->
26.50 1444 Acora-Z.4( 1.5)-diene 27.45 | 467 F,thyl-(28,47.)-decadienoafe
26.50 1444 CabreuvaoxideA 27.50 1468 Pinchoteneac:etate
26.50 1444 Seychellene 27.52 1469 Acoradicne<p->
26.51 1445 l)odccadien-l-al <(22,68)-> 27.52 1469 l)odecanol<n->
26.51 1445 Santalene <epi-p-> 27.54 1469 Salicylicacicl,butyl ester
2 6 .51 1145 V anilly l a l c o h o l 27.54 1169 Sesquicineole <clehydro->
2 6 .53 1445 M y lt ay l -4 (1 2 )-e n e 27.55 | 469 Dodecen-l -ol <(2E)->
26.53 1445 Naphthalene <2-rnethoxy-> 21.56 1410 .lasmonelactone<(3iZ)-2
26.62 1447 Ccdlanc<cpi-> 27.57 1470 Cunracrenc
26.(t2 1447 Hexyl 2-furoate 27.59 1470 Macrocarpene <0->
26.61 | 148 Muurola-3.-5-diene <cis-> 27.60 147| l)auca--5.8-diene
26.61 1448 Isoeugenol<(E)-> 27.60 l4l I Massoialactone
26.68 1449 Himachalene <u-> 2'1.62 l4l I SesqLricineole <7-epi-1,2-dehydro->
26.69 1449 Spirolepe.chincne 21.62 141| Terpinyl isol'rutanoate <s->
26.11 1449 Aniorpha-4.lI -diene 21.63 l41l Aristolochene <4,-5-di-epi->
26.13 1450 l)avana.bis-ether 27.72 1413 Isobornyln-butanoate
26.78 l45l Methyl isoeugcnol<(Z)-> 27.73 1414 Acortrdiene <10-epi-p->
26.18 l45l Muurola-3.-5-dicne <trans-> 27.73 1474 l)ecenal <(411)->,diethyl acetal
Appendixll: CompoundsListedin Older of Elution on Dtl-5
43
RT AI ConrmonNarne RT AI CcunmonNanre
21.131474 Undecanal,dimethylacetal 28.53 1493 Vetispirene<B->
21.75 1474 Neocallitropsene<0,-> 28.53 1493 Zingiberene<o->
21.71 t4l5 Cadina-| (6),4-diene<trans-> 28..5.51493 Cubebol<epi->
21.78t475 Methyl vanillin 28.-551493 l)ecalactone<6->
27.791475 Thujaplicin<B-> 28.-5-51493 Raspberryketone,methyl ether
27.801415 Curiunene<y-> 28.58 1494 Maltyl isoburyrare
27.821476 Charnigrene<B-> 28.62 1495 Asaricin
27.821476 Gerarryl propanoate 28.62 1495 Cadina-l .4-diene<cis->
27.841476 Allyl decanoate 28.63 1495 Amorphene<y->
27.841416 Pentyl benzoate 28.64 1495 Tridecanone<2->
27,89 1477 Pyran-2-one<6-nonyl--5,6-d i hydro-2H-> 28.65 1495 Coumarin<3-rnethyl->
21.911478 Anrorphane<ttans-4,I 0-epoxy-> 28,66 1496 Valencene
27.91t4t8 Muurolene<1-> 28.68 1496 Viridillorene
21.921418 Ionone <isomethyl-o,-(E)-> 28.69 1496 Irrdipone
27.941419 Cabreuvaoxide D 28.70 1497 Methyt p-telt-butylphenylacerare
27.96l4l9 Curcunrene<ar-> 28.11 1497 I3enzyltiglate
27.961419 Ionol <methyl-B-(E)-> 28,72 1497 Sandalorc
27.97t4t9 Amorpha-4,7(| | )-diene 28.14 1498 Selinene<a->
28.00r480 Ionone <mcthyl-T-> 28.75 1498 Alaskenc<B->
28.021480 Cyclogeranylacetate<0-> 28.75 1498 Pseudowiddrene
28.0.rt48l Wicldra-2.4(| 4)-diene 28.76 1498 Undecenolacetate<10->
28.04t48| Curcumene<y-> 28.71 1498 Apofarnesal<(Z)-dihydro->
28.0-5l48t Amorphane<cis-4,I O-epoxy-> 28.79 1499 Culzerene
28.0-5l48l Himachalene<y-> 28.80 1499 Dihydroagarofuran<4-epi-cis->
28.0.sl48l M en th y ll a c ta te 28.81 1499 Macrocarpene<B->
28.05 t 48| Vanillone,aceto- 28.82 l -500 Pentadecane <n->
18.071482 Citronellolisobutanoate 28.82 1-500Himachalenc<p->
It.08 t482 Decalactone<y-metlryl-y-> 28.83 l-500 Bicyclogerrnacrene
18.091482 Tof uene<2,4,6-trinethoxy-> 28.83 l -500 Isodaucene
28.| 2 148.3Phenylpropyl butanoate<2-> 28.83 l-500 Muurolene<u->
28.121.183Thujaplicin<y-> 28.88 l50l Epizonarene
l8.t,j 1483 Anrorphenc<c-> 28.89 l-501 Aciphyltene
t8.14 t483 Jasmonelactone<(3E)-> 28.89 l-501 Allyl anthranilate
28.1-51484 GernracreneD 28.89 l-501 Decyl propanoare
28.t9 1485 Prenyl benzoate 28.91 1502 Patchoulene<y->
28.20 t48-5Himachala-1,4-diene <l I sH-> 28.92 1502 Cyckrtkydsgsnone
18.24 r486 Benzyl acetylacetate 28.92 l5t)2 Gulritrrc<tlans-B->
28.2-5t486 Phenyletlryl 2-nretlrylbutanoate 28.9-5l-503 Dihydro agaroluran<B->
:8.28 t487 Aristolochene 28.9-5 1503 Pipelonyl acetate
18.30 t487 Ionone <(tr)-B-> 28.96 l -503 Chamigrene<o->
18.-jl t487 Jasmolactone <(7\-> 29.00 l -504 Cuparene
:8.-1.1l-188 Butylatedhydroxyanisole 29.00 l-504 Unclecenolacetate<(28)->
t8.-15t488 Methyl biphenyl <4-> 29.03 l-50-5 Cuprenene<c->
1E.36t489 Eudesrrra-6, I I -diene<cis-> 29.03 l -50-5Farnescne<(E.E)-a->
18.-17t.189 Selinene<p-> 29.04 1-505 Ilisabolene<13->
18.-181489 Vetispirene<o-> 29.0-5l-505 PremnasPirocliene
lE.-1.3l.+90 Neryl isobutanoate 29.09 l-506 Bisabolene<(Z\-a->
f8.{-r t{90 Phenylethyl 3-methylbutanoate 29.12 1507 Silphiperfolan-6-0,-ol
l8.J-i l.tgl Drirn-8(l2)-ene 29.18 1508 Farenal
18.-r-5t49l .lasmolactone<(L,)-> 29.l8 l -508 GermacreneA
:8.{7 l-tgl Calamenene <10,I I-epoxy-> 29.19 1509 Lavandulylisovalerate
18.{7 l49l Methyl isoeugenol<(E)-> 29.20 1509 Bulnesene<a->
:8-{9 t492 Menthyl lactate<iso-> 29.20 1509 Thuiaplicinol<u->
]8-+9 t.t92 Selinene<6-> 29.22 1509 Tridccanal
tE..st l-t.92 Guaiene<c,is-F-> 29.23 1510 Quinoline<6-isopropyl->
lE5-3 l{9-l Capillene 29.26 1510 Anisyl propanoat.e
t8_5-1t-193 Muurola-4(l 4),-5-diene <trans-> 29.26 l5l0 Cameroonan-7u-ol
Adarns:Esscntial by GC/MS
Oil Components
--l
Appcnclix
II: Compourrds
l,istedin Ordclol'lrlutionon DB--5 A<
RT Al CornrnonNaurc RT A[ CornmonNante
.1.1.42l613 Ethyl chrornone<2-> 31.42 1639 I)uprezianen-3-one <2-epi-B->
33.,12l6l3 Styrene<2.4,6-trirnethoxy-> 34.45 1640 Flinesol
33.46 l(rl4 Isoeugenolacctate<(ll)-> .14.46l 64O Muurokrl< epi -a->
3 3 .47 1615 I ) av an o l l )l (i s o rn e 'l r) 34.46 164(l Phenylethyl hexanoate
33.48 l6l-5 Hinrachalene oxide <B-> 34.47 164l l )aucol
3 3 .- 52l6l6 I s om y r i s ti c i n 34.48 l64l Thuiopsanone <3-iso->
33.-531(rlfi Asarone<(l)-> 34.53 | 642 Styrene<2,3,4,6-tarramethoxy->
3 3 .56 l6l7 B ut y l a n th ra n i l a te 34.54 1642 S el i na-3.1 l -di cn-64+ l
33..59l6 | 8 Cedrol<epi-> 34.56 164.1 Isobolnylisobutanoate <6-hyclroxy->
3 3 .- 59l6l8 ls olon g i tb l a n -7 u -o l 34.58 1643 Cec'lren-3-otre <2-epi-p->
33.60 l6l8 Bisaboladien-4-ol <2,(77.)-> 34.61 1644 Muurolol <u.->(=Torreyol)
3 3 .60 1618 Cuhen o< l 1 ,1 0 -d i -c p i -> 34.(t3 1645 Cubcnol
3 3 .61 l6l8 J uneno l 34.68 l6z16 Desmethoxyencccalin
3 3 .6 4 16l9 Helilbl e n -1 2 -aCl < a n ti -s y n -s y n -> 34.(t9 164(t Agarospirol
3 3 .64 l6l9 Helilir l e n -1 2 -a I)l < s y n -s y n -s y n -> 34.11 1647 Khusilal
-13.6-5 l (rl9 Linakrol <(Z)-8-hydroxy-> 34.72 1647 Butyl phthalide<3->
3 -1 .661620 I ) ill ap i o l e 34.73 |(t4l Arnyl cinnatualdehyde <(.7.)->
3 3 .7 2 162l Cedr en ec p o x i d e< B-> 34.74 1648 Mcthyl.jasmonate <(Z)->
33.72 162l Leptospernrone <istt-> 34.15 1648 Guaia-3,9-dien- l | -ol <cis->
-3-3.75 1622 Corocalcne<0.-> 34.19 1649 Euclesrnol <B->
3 3 .11 1622 E udesmo<l 1 0 -e p i -y -> 34.81 1649 V ul garoncB
3 3 .80 1623 ls ohuty cl i n n a ma tc 34.83 l6.s0 Cedr-8(l -5)-en-9s-ol
33.82 1624 Citronellylpentanoate 34.8-516.50C edr-8(1-5)-en-10-ol
33.83 1624 Silphiperlbl-6-en--5-one 34.85 16.50 Isoamylgclanate
33.tt8 l(r2-5 Isolongitblanonc <trans-> 34.87 l6-5| Dihyclroagarolui'an <4u-hydroxy->
3 3 .90 1626 Cedr en -3 -o n e < 2 -e p i -u -> 34.89 I65| P ogostol
33.9| 1626 Hexyl phenylacetate 34.91 1652 Hudesrnol <0->
33.92 | 626 llenzophenone 31.91 1652 I'lirnachalol
33.93 1627 Isornenthonc<2-(3-oxobutyl)-> 34.93 1652 C adi nol < u->
3 3 .95 1621 Cuben o< l l -c p i -> 34.94 l (r-53I)inretlroxy,.5-vinyl- <4,6->
I ,2-benzodioxide
33.95 1627 l)avanolI)2 (isorner2) 34.9-5l6-53 Thujopsanone <3->
34.(X)1628 Ccclranone <-5-> 34.91 1654 Linalool<I.2-dihyclro-8-hydroxy-(2lr)->
-11.011629 Leptospermone 34.99 1654 Methyl dihydro.jasmonatc <cis->
3-1.011629 Erenroligenol 35.01 l6-5-5Exalatac:in
-]J.0-sl6-30 Cedrcn-9-one <0-> 3-5.02l6-5-5Gcranylvalerate
.1i.06 16.10 N,luurola-4.10( l4)-dien-I F<rl 35.04 l6-55 Syringaldehycle
-11.08l6-10 Iiudesrnol<y-> 3.5.06l6-56 Citronellyltiglate<(7,)->
-3J.l0 l6-l I Gynrnonritrone 3.5.07l6-56 Valerianol
. 163l S c s qui l a v a n d u l<o(E
3 '1I0 l )-> 35.08 1656 R i sabol ol oxi deB < u->
3-1.l3 l6-12 Acorenol<tr-> 3.5.08l6-56 Isoholnylisobutanoate <-5-hydroxy->
34.14 1632 Isoborneol<8-isobutylyloxy-> 3.5.08l6-56 Patchoulialcohol
34.1.51632 Phthalide<3-butylhcxahydro-> 3-5.091657 Atractylone
3 4 .1 . 51632 S elinal-,3 ,7 (l | )-tri c n -8 -o n e 3-5.141658 S cl i n-ll -en-4c-ol
34.16 1632 Hexenylphenylacetate<(32)-> 3-5.1-51658 lnternrcdeol <neo->
34.20 1634 Carnphoricacicl 3-5.161658 Agcratoclrromene
34.24 1635 Hexenylphenylacetats<(2ti)-> 3-5.16 l6-58 (iyrnnonritlol
34.25 1635 Cadin-4-en-7-ol <cis-> 3-5.201660 Calarncncn-10-ol <cis->
34.28 |636 Gossonorol 3-5.2-5l66l Allohirrrachalol
3 4 .30 1636 A c or en o < l B-> 35.2-5l(16l Euclesmol <dihydro->
3 4 .3. 516. 17Capilli n 35.29 1662 lludesmol<7-cpi-a->
34.38 1638 Cadinol<epi-u-> 35.38 1664 Juni cedranone
3 4 .40 1639 Car y op h y l l a -4 (l 2 ),8 (I3 )-c l i e n --5 u - ol 3.5.411665 Lyral
3 4 .40 | 639 Car y op h y l l a -41 (2 ).8 l(3 )-d i e n -5 B-o l 3-5.421665 lnternredcol
34.41 1639 Hepttrn-2+ne<6-methyl-6- 3-5.45l(166 Caryophyllene <14-hydroxy-(7,)->
(3-nrethylphcnyl)-> 3.5.46l(r(rfi Citronellyltiglate<(ll)->
34.42 1639 Aromadendrene <e.poxicle-allo-> 35.41 1667 Il i sabol -l l -ol < E ->
34.42 1639 Cedrenal <1.7-diepi-u-> 35.47 1667 Phloroacekrphenone <2,4-dimethyletlrer->
-t-}
AppendixII: Compounds
l-istedin Or.der.of
Elutionon I)B--5 47
RT AI CornnronNamc RT AI ComnronNarne
3-5.4ttl6(17 Arnyl cinnanraldehyde <(lr)-> 36.32 1689 Davanolacetate
35.48 l6(17 Conil'crylalcohol<U,)-> 3(r.33 1689 Aprirone<(Z)->
35.49 1667 Pcntadecen-2-onc <((rZ)-> 36.-141689 Borrydiol
-3-5.-5 | l(168 Calanrcnen- l0-ol <trans-> 36.37 l(r90 Ber-uanrorol <(Z)-a-rrans->
3-5.-5 I l(r(r8 Hexenylsalicylare<(.3Z)-> 36.44 1692 .funiceclranol
.l-5.-5 I I (168 Turnterone<ar.-> 36.4-5l(r92 Acorenone
3-5..521668 l)ihycL'oarlanrone <(I1)-10.l l-> -j(t.45 1692 Cuprenen-l-ol<4->
3-5.-53 1668 Atlanronc<B-> 36.48 | 693 Gcrntacrone
-35.-53| 668 Caryophyllone <14-hydroxy-9-epi-(E)-> .36..5
I 1694 Arlanrone<(Z)-y->
3. 5. . 54I 6( r t l' / . it u n o n c< c p i -> 36.-5(rI69-5 Cypcrotunclone
-l-5.(r01670 Bisaholol<epi-B-> 36.-591696 Ge.r.anyl ti-elate
-l-5.(r01(r70 Bulnesol 36.63 1697 T,izanal
-1.5.(r4 167I Tctradccanol<n-> 36.64 1697 AcorenoneB
3-5.(r-5 167| Buryliclene-phrhalide <(.37.)-> 36.64 1697 Pcntaclecalrorrc <2->
3,5.68I672 Cedmnol<-5-iso-> 36.(18I (r98 l)eodarone
35.14 1674 Bisabolol<B-> 36.(r8 1698 Farncsol<(27.,62)->
35.71 l614 FlelilirlenolA 3(r.69 1698 Agglonerone
-l-s.741674 San{alol<(7).u-> 36.12 1699 H i rnachal -4-en-18-ol < l l aH ->
-3-5.74 I (r74 Valelanone 36.72 1699 Noorkarol<epi->
35.7-51674 Hycl'oxycliphenyl mcrhane<2-> 36.73 1699 Sine.nsal <D->
35.15 1614 lsobornylisohutanoatc <8-hyclroxy-> 36.74 1700 lruclesrn-7(l l)-en-4-ol
-35.7-5 l(r74 Salicylicacicl.hexyl esrer 3(t.14 1700 Heptaclecane <n->
-1-5.77| 67,1 Caclalene <8,9-cpoxide> 36.71 1100 Amorpha-4.9-dicrr-2-ol
3-5.79167-5Asarone<(E)-> 36.71 1700 Merhoxycinnarnicacid <(4lr)->
-l-5.80l(r7-5 Andro encecalinol 36.79 1101 Caryophyllene acetate
-l-5.80l(r7-5 Caclalene 36.80 | 70 | Acetophenonc <2.4.(r-trirnethyoxy-
.15.80l(r7-5 Khusilol 3-nrethyl->
-l-5.83l(176 Musrakone 36.81 170| S esqui ci neol -2-one
-3 - s . li4167( r G ua i a -3 ,1 0 (1 4 )-c l i eln-o-ll 36.82 1702 Calanrencn-10-one <1O-n<x->
-3-5.8-5 1676 l)odecalactone <y-> 36.84 1702 S antal ol< (Z)-epi -F->
-l5.li-51676 Neroliclylacerare <(Z)-> 36.tt-5f 703 Tridecenolacctare<(28)->
-15.8-5l(176 Occiclenol 36.91 1704 A nrorpha-4,9-di en-14-al
3. s . 87l( r 77 A pi o l e 36.9| l704 Dodecalacrone <6->
.1 5. 87l( r 77 l, r r c :n i c u l i n 36.98 170(r Atlantone<(E)-y->
3 - 5. 89l( r 77 Hel i l i rl e n oB l 36.98 | 70(r Caryophyllene < 14-hydroxy-4,-5-dihyclro->
.l-5.9 | f (r78 Methyl epi-jasmonate <(Z)-> 36.98 170(r Mel al eucol
3-5.9-5 lfi79 Khusinol 36.98 1706 Propylchr.omone <2->
-l-5.97I (rf30 lllcrrlrl acetate 36.99 1706 Apodophylene
16.00 l(r80 Islrrvaronc 37.04 1708 Aprironel<(E)->
.16.02168I Occidcntalolacerate 37.06 1708 Thui opsenal < ci s->
-l(r.0-l| 6ttI FlclilblenolC 37.09 1709 Mayurone
-l(r.03 l(r8| t{clilblcnol I) 31.21 11I 2 Curcunre-n- l -5-al<ar->
.3(r.0-5 l (r82 Mcthyl clihyclr.o.iasrnonatc <trans-> 37.22 17l3 Calanrenene <.5-lrydroxy-cis->
-3(r.0(r1682 Alnyl cinnantylalcohol<a-> 3l .22 11l3 Farnesal<(2F.67.)->
.1( ) . 1Il( r i{ . 1B is l l ro h rl< c p i -u -> 31.23 17| 3 Cedroxyde
-16.l-l l(r,34 Farnosal<(27.,62)-> 37.24 | 7 l3 Hunrulene< l4-hydroxy-o->
-36.l4 l(rli4 BisabokrneoxicleA <n-> 31.25 171.1 l 1y11qi l i l l 1yI
-16.l4 l(rll4 Ccclranol<-5-neo-> 37.25 l1l3 Nucil'cral<(Z)->
-l(r.I6 l6u4 Lon_siborncol acctate(=.luniperolacetate) 31.21 ll 14 Farnesol<(2E,62)->
3 (t . 17 i' 68- 5B is a h rl o l< a -> 37.28 l 7l 4 N ootkatol
3(r.I 8 | (r8-5Gcrrnacra-4( l-5).-5,l0( l4)-rrien-l n-ol 37.28 | 7l 4 P henerhyl 2-l uroare
-lCr.20 | (rfi.5 Massoia dodccalactot.lc 37.31 17f-5 F-arnesal <Q7^6E'\->
36.27 | (r87 lruclcsnra-4( | 5).7-dien-I [3-ol( inrpure) 37.:11 | 71.5 N i rani n
-l(r.-10l(rtt8 Ccdrcn-l3-ol <tl-> 37.31 | 71.5 S antal ol< (7t-[]->
3 ( r . 311( r 88 l; ar n es o l < 2 ,3 -d i h y d ro -> 37.35 17l 6 N crol i dylaccrare < (E )->
36.-l| | (r[38 Muurol--5-cn-4-onc <cis-l4-nor-> 37.38 l 7l 7 C tn' cuphenol
-l(r.-lI l(r88 Shvobunol 37.39 l 7l 7 A tl antone< (/,)-a->
by GC/MS
Oil Components
Adams:Essential
48
RT AI CurnmonNarue RT AI CornmonName
40.62 180(t Nrxrtkatonc 42.84 l8(r9 Flourcnsacliol
40.65l807 $nligylate,2-ethylhcxyl- 42.93 1871 Homoisobucckeol nethyl ether
40.70trJ08Euclesrn-| | -en-4s.6a-cliol 43.03 1874 Hexaclccanol <n->
40.74 1809 Pyran-5-one<2.2-climethyl-7-isobutyl- 43.l -5 | 878 Cubitene
2H,.5H-pyrano[4,3-b] -> .13.l9 I 879 Spiroether<(Z)->
40,80|8tI Chcnopodiol<B-> 43.20 1879 Laurenene
40.80l8l I Vetivenicacid 43.22 1880 Cyclohexylanthranilate
40.831812 Acor'<lnc<iso-> 43.25 1880 Hcxenylcinnamare<(37.)->
40.8(rl8l3 Cryptonrcridiol .1.1..14188-1A l krevodi onc
40.94I 8 t5 Torcluatone 43.45 1886 Farnesylacerone<(58,92)->
40.97I 8 l6 Butyl chrornone<2-> 43.47 1887 Oplopanonylacerare
40.98| 816 F'arnest'ricracid <(2 E.6E)-> 43.-541889 C edrane-cl i<ol8S ,14->
4t.0-5t8l8 Santalolacetate<(7,)-F-> 43.-5-5I8t39 Falncsyl acetone<(.57,.98)->
.l t.06 l8 | 8 Trihyclroxybcnzaldehyde <2,4.6-> ,13.56I 889 Isobornylisobutanoatc <8-isobutyryloxy->
,11 .09 l8l9 Acorone J.1.581890 C l tcrropocl i ol -6-acctate< 0->
4t.09 l8t9 Longilblol acetatc<iso-> 43..59 I t390 Spirocther"
<(E)->
.11.131820 Hcxenylanthranilate <(3/.)-> 43.68 I 893 Dihydroangelicin <2',3',3'-tirnethyl-2',3'->
.ll.t6 l82l Farnesylacetate<{22,6F,)-> 43.71 l89zl Catalponone
1t.20 t822 Vctivone<p-> 43.75 1895 lrpoxy-pseucloisoeugenyl 2-rnethylburyrate
+ I .21 t823 Khusinolacetirte 43.79 1896 Rinruene
-+I ..1{)182.sDisulllcle,diphcnyl 43.tt3 | 897 C edrane-di ol < 8S ,l 3->
-l| .30 182-sNeroliclyl isobr.rtyratc <(E)-> 43.92 1900 Nonaclecane <n->
-ll.-12182(rAvocadynolirran 4-1.9-5I 900 Columellarin<dihydro->
+ | .-17t827 IJcnzcneacctic acid,3-tnethylphenyl ester 43.91 1901 Laurcncne<cpi->
l r .-121828 Isopropyl tetl'adecan0ate 44.0ti 190.+ Evodione
-ll.-t7 t830 Nuci t'erolacetate<(.7,)-> 44.11 1905 Isopi rnara-9(l l ),1.5-di ene
r r.56 | tt32 CycIopcntaclecanoI ide 44.33 1912 Kudrdiol
-ll.6u l13.16 Occidol 44.31 l913 Farnesylacetone<(-5E,98)->
-lt.69 r836 Coumarin<7-hydroxy-> 44.38 l 9l 3 P henyl crhylphcnylacerare' <2- >
-+t.72 | 837 Hillyl acetate 44.40 1914 V al encene < l I,l 2-di hydroxy- >
-1l.ttO1839 Eudesrn-7( | | )-en-4-ol.acerare 44.64 l92l Methyl hexadecanoate
+r.rJ01839 Honroisobaeckcol 44.68 1922 Totarcne
+ | .82 1840 Pipitzol<o-mcthyl,a-> 41.84 1926 Carissone
-rt.8.5| 8.11Caf'lbine 44.92 1929 Musk anrbrertc
r l.tr.5184| Pseudoisoeugenyl 2-nrethyll-rur.yrate
<(E)-> 41.97 1930 l)ictarrine
I I .89 18.+2Vctivone<c-> 44.98 l 93l B eyercne
-rr.96 1844 Istltorquatonc<clenrethyl-> 44.98 193l P l oceri n
+ t.97 1844 Bisabolatrien- | -ol-4-one<2,1( | 4),10-> 45.02 1932 Cr-rparenic acid
+ t.97 18.+4Isoarnyldodccanoate 4-5.05l 933 Isohibacne
+ r.97 t 844 Ternine<(7.\> 45.06 1933 R osa--5,l S -di ene < ent-)
+r.0| I 845 Farne.sylacctate<(2E,6H)-> 4-5.071933 Cyclohexadccanolide
+1.0,1t846 Phenylethyl octanoate 45.21 1937 Cembrene
-11.0-s l84a) Ercmophilone<8-hydroxy-> 45.24 1938 Acetoxyeudesrnan-zla-ol <l l->
{1.r0 | 8+8 Oxofulanoerenrophilane < l . | 0B-epoxy-6-> 45.34 l94l Callitrisin
-ll..1g1g-53Pipitzol<o-metlryl,B-> 45.31 l91l l)rinrenin
-[.-3] l8.s4 Lanccolacctate<(Z)-> 45.37 1942 Phyrol
Jt.-16tS.s.sChcnopodiol<a-> 45.52 194(r Isophytol
Jt.-5-+t860 Farnesylacctone<(7^7,)-> 4-5.-5.51947 CcrnhreneA <(3E)->
+1.-5,5 I 861 Amorl.rlra-4,7-clienc <2a-acctoxy- 45.-59l948 Pimaradiene
I I-methoxy-> 15.7O1952 C ol rrrncl l ari n
-ll.-5S1361 Baeckeol 45.1)2l9-58 Gcranylhcnzoare
Jt.6-5l863 T h u i o p s c rriacc i d< c i s -> 4-5.9-5 l9-59 Hcxadecanoic acid
-11.68t86.1 Benzylsalicylatc 4-5.9-5l9-59 Nootkarin
rl .7-1l ti(rfi M u s k ry l o l 4.5.981960 Geranyll i nal ool< (2,7)->
:t.7-i t866 E,ncecalin 45.99 1960 Chenopodiol-(r-acerate <o.->
Jl.:-5 l8(1 6 Torquatone<denrethyl->
'1-5.991960 Rirrrucne <tetrahydro->
rl.-9 | 8(r7 Santalolacetate<(E)-p-> 46.16 196-5CemhreneA <(32)->
50 Adams:Essential bv GC/l\4S
Oil Cornponents
RT AI CornrnonNarne RT Al CornrnonName
46.181966 Isophyllocladcne -50.332095 Mcthyl linolcate
4(r.2.51968 Callitrisin <dihydro-> 50.47 2100 Heneicosane <n->
46.26 1968 Sandalacopinrara-8( | 4), l -5-diene -50.952l l-5 Isoprenylc'rxycoumarin <7->
46.30t969 Jensenone -50.96 2l l-5 Laurenan-2-one
46.34t9t0 lsoprenylcinnamate<(Z)-methyl-> 51.23 2124 Methyl octaclecanoate
46.421973 I)olabradiene 51.24 212-5 Isoeugenylbenzylether<(E)->
46.45t914 FerulalactoneI 51.28 2126 Phenylethyl anthranilate <2->
46.451974 Sclalcne 51.47 2132 Li nol ei caci d
.16..5
I 197.5Occidolacetate 51.47 2132 N ezukol
16.561911 R illoratriene 5l.12 2140 Osthole
46.69198| Counrarin<7-lryclroxy-4-methyl-> 51.75 2l 4l Ol ei caci d
46.80198:1Musk ketone -51.9821,19 A bi enol
46.841985 Ar.rrorpha-4,7( I I )-clien-8-one<2c-acetoxy-> 52.08 2152 Oloselone
46,89l9U7 Manool oxidc 52.12 21.53 A bi eta-(8(14),13(l -5)-di ene
46.901987 Geranyllinalool<(E,Z)-> 52.26 2l-58 lncensole
.16.92t987 Eicosene< | -> 52.76 2171 Grandillorene
-16.93t 988 Pseudophytol<(62, l0Z)-> 52.90 2179 Phcnethylcinnamate
.16.941988 Catalponol<cpi-> 52.93 2180 Citronellylanthranilate
47.061992 Stilbcne<4-n.rcthoxy-> -53.0-52184 Incensoleacetate
41.091992 Iithyl hexaclecauoate .5.1.062 | [J4 Sanclaracopir.narinal
47.25 1991 Kaur'-l-5-ene 53.22 2189 l)ocosene< l->
41.21t998 S es elin 53.43 2196 Ethyl octadecanoate
41.29 t998 Geranyllinalool<(7.E)-> -53.502198 U gancl ensi di al
47.33 2000 Ilicosane<n-> -53.-532 199 Catalpalactone
47.35200t) l)olahracliene < I 3-epi-> 53.54 2200 l)ocosane<n->
47.,1.5200,1Heradecyl acetate 53.65 2203 Santonine<o->
.17.6-12009 M anoo lo x i d e< l 3 -e p i -> -53.782208 Totarol<cis->,methylcther
-+7.7-s2013 Counrarin <7-hydroxy-4,8-dirnethyl-> 53.82 2209 Octaclecranol acetate
17.81201.5Ethl'lenebrassylate 53.83 2209 Plryllocladanol
+7.8.5 2016 Poll,grxlial 53.96 2214 Retene
47.8620t6 Phylkrcladene 54.02 2216 Manool oxide <2-keto->
47.9020| 8 J uv ibio n c 54.01 2217 Geranylanthranilate
41.912018 Psetrdoph1'tol<(61r.l 0Z)-> 54.07 2218 Phytolacetatc<(E)->
48.032022 A hiet a -8 .l2 -d i e n e 54.15 2220 Methyl eperuate
48.08202,3Catalponol 54.21 2222 Sclareol
48.082023 Warburganal 54.47 2231 Mcthylcommunate<(Z)->
48.092024 Isopropylhexadecanoate 54.49 2232 Stilbene<3.-5-dintethyoxy->
48.162026 Geranyllinalool<(11,E)-> 54.632237 Isopi nrpi nel l i n
48.292030 Pseuclophytol<(62,l 0R)-> 54.63 2231 Manool <7u-hydroxy->
48.39203:l Bergaptene<iso-> 54.63 2237 Totarol<trans->.nrethylether
48.442035 Falcarinol<(7,'\> 54.65 2237 Methyl pimerrate
48.65 2012 Stilbene<4-hydroxy-> 54.75 2241 l)ecyl anthranilate
48.662042 Kaurenc 54.76 2241 Isoeugenylphenylacctate <(Z)->
48.152045 Canell a l 55.19 225(t Methyl sandaracopintarate
49.0820-55Abietatricnc 55.22 2257 Mcthyl comrnunate <(E)->
49.102056 13crgaptene 55.47 2265 Larixol
49.n 2056 Manool 55.58 2269 Sanclaracopitnarinol
49.162058 Pseuclo phytol<(68, l 0E)-> 55.74 2214 Abietal,dehydro
49.202059 M anoo l< 1 3 -e p i -> 55.88 2219 Incensoleoxide
49.402065 Isoprcnylcinnatnate<(E)-methyl-> 55.98 2282 Sernpcrvirol
49.402065 Sclareolicle 56.24 2291 Labd-7,13-di en-15-ol
49.6u2072 Isoeugenylbenzyl ether<(Z)-> 56.41 2297 Manool <3u-hydroxy->
49.162077 Octaclscanol<n-> 56.42 221)7 Isoc,ugenylphenylacetate <(ll)->
50.002085 Juvibione<dchyclro-> 56.42 2297 Mcthyl isopit-n:rrate
.s0.082087 Abietaclienc 5(t.11 2298 Abietal <4-cpi->
l0 2088 Nootkatinol
.50. -56.482300 Tricosane<n->
50.222092 Benzylcinnamatc 56.66 2306 Methyl levopinrarate
AppendixII: Corlpounds
l.istcdin Orcler"of
lllutionon DB-5 5l
RT Al ColnnronNante
56.11 2310 Isopirnarol
5 6. 8- 52312 A bi e ta -7 ,1 3 -d i e n c -3 o n c
.56. t i72313 A bi e ta l
-56.U823 l4 Totarol <tl'ans->
56.92 2315 Felluginol <6,7-dehyclro->
57. 11 2324 A bi e ta c l i e n -1 8 -o
< 8l ,1 3 ->
51.39 2331 Ferruginol<trans->
57.39 233l Mcthyl claniellare
57.55 2331 Manool oxide <3s- 14.15-dihydro->
51.65 2341 Methyl dehydroabietate
57.72 2343 Abietol <4-epi->
51.76 2344 Libocedrol
-58.I8 23-59 Manool <3c-acetoxy->
58.21 2360 Peucenin,7-methylethcr
-58.2I 2360 Torulosol
-58.282363 Ferluginol acetate<trans->
5ft.3-5236-5 Conmunic acicl
58.42 2368 Ahierol, dehydr-o
-58.-50 2370 Fcrluginol<cis->
58.80 2381 Mcthyl labdanolate
58.9| 2.18-5Merhyl ahietare
-58.962387 Methyl nidoresedare
58.96 2387 Mcthyl srricrare
-59.0.52-390 Heyderiol
59.12 231)2 Labd-7,13-dien-1-5-ol, acerare
59.33 2400 Teh'acosane <n->
59.37 2401 Abietol
59.63 2411 Ferruginolacetate<cis->
59.92 2422 Labd-13tr-8,1.5-diol
(fr.10 2428 Totarol acetate<trans->
(ff-28 2435 Taxodione<6-dcoxy->
60.48 2443 Methyl neoabierare
(fr .55 2445 Totarol <7c-hydroxy-trans->
(fr.84 2456 Fen'uginol<6-keto->
61.15 2468 Abietol <neo->
62.00 2-500 Pentacosane <n->
62.05 2501 Methyl-7,13,1-5-abierarrienoare
63.10 2542 Totarolone
63.30 2549 Hinokione
63.-502-5-57Hinokienone
61.33 2.589 Hinokiol
&-61 2600 Hexacosane
65.36 2629 Sugiol
67.12 2700 Heptacosane
67.83 2729 Resveratrol
69.-5-52800 Octacosane
71.78 2900 Nonacosane
74.16 3000 Triaconrane
76.3-5-1100 Unlriaconta'e
78.48 -1200 Dorriacontane
79.26 32?7 Stigmast-4-en-3-one
EO--55-3300 Tritriacontane
E2.80 3400 Tetratriacontane
52 Adams:EssentialOil Componentsby GC/MS
Appendix III: Mass Spectra
53
AppendixIII
AoA
100
80
60
40
20
cH3(cH2)4cH3
Appendix III: Mass Spectra
J)
^r"\
I_
I
cH2cl
80
E
F 4l
F
F
il
60
100i,l
80
60
40
20
\az'
AppcndixIll: MassSpcctra
57
RT : 2. 10 A I : 6 7 1 K I: 6 7 9 Methyl-2-butanol<3->
CIAS#:-598-7.5-4 MF: C-5H l 2 O F W: 88 MS D LIB #: 1(r39
CN: 2-butanol,3-rncthyl-
Synonyrns: sec-Isoanrylalcolrol
Source:Aldlich Chenr.
100
80
60
40
X"
20
)"'-.-""\o
R T : 2. 1- 5 A I : 6 8 2 K I: 6 8 7 P e n ta n o n e< 2 ->
C A S #: 107- 87-9 M F : C .5H l O O F W: 86 MS I) LtB #: 1.571
CN: 2-pentanone
Synonynrs:n<'rnc
Srrtrrce: Afdrich Cherrr.;9.llVa Psidiutnguajat,ct, FIr.l6:143(1991);
|.85VoZizt'phusju juba;0.307aHedl,otisdilJilsa
r00
8r)
60
40
20
58 Adams: EssentialOil Componentsby GC/MS
t00
tl
80 /\'2"
60 I
OH
40
20
OH
80
I
-\./\Z
60
40
20
100 OH
80
I
-/\-,A-
60
40
20
AppendixIII: MassSpcctla 59
+J
r00
cH3(cH2)scH3
80
60
40
r 00
80
ar^-^"
60
40
20
t00
80
60
40
20
60 by GC/MS
Adams:EssentialOil Components
100
80
,/\./-\r'"
60
40
20
Vo*o"
:-,-o\aa-
tl
o
Appendix llI: Mass Spectra
6l
r00
-.--1.-.,-",
62 Adams: EssentialOil Componentsby GC/MS
Yr"
100
80
60
40
20
r
I Appendixlll: Mass Spectra
fr
RT: 2.58 AI:737 KI:746 Tiglic aldehyde
CAS#: 497-03-0 MF: C-5H8 O FW: 84 MSD LIB#: 1959
CN: 2-butenal,2-merhyl-,(E)-
Synonyrns:tigalclehyde;crotonaldehyde,2-methyl-,(E)-
Sonrce:BedoLrkian Res.ex.I.IBrophy
100
80 at?
60
40
20
6U 80 t00 120
80
60
40
20
64 Adams: EssentialOil Componentsby GC/MS
o\An
100
-r^("'
)--A
A)
l00r'i
80 /\../o'
60
40
20
r00
80
60
40
-----4",
20
66 Adams:EssentialOil Componentsby GC/MS
t00
80
60
40
20
O-Ac
I
I
Appenclix
lll: MassSpectra 67
r00
80
60
40
20
Y-'
68 Adams: EssentialOil Componentsby GC/MS
,oX*
Synonyms:methylenecyclohexene,3- l:
Source:BedoukianRes. xlr
qI
ilI
,=l
::!
::i1,
.::l
,::l
,::1.
,l:l
:::
100
80
60
Appendixlll: MassSpectr.a
69
R T : 3. 05 A I : 1 8 7 K I: 7 9 0 Butanethiol, 2-nrethyl-
C A S #: 1878- 18 -8 M F : C .5H l 2 S F ' W : 104 MS D LIB #: 1702
CN: I -butancthiol, 2,metlryl-
Synonyms:none
Source:AlclriclrChem.
l/\
..--Jt--
tl
l(.xl
fJo
-l-^-"o\y'o
6(
+(
20
70 Adams:EssentialOil Componentsby GCMS
CHr=cHlsHt)5cHt
Y"IA
\4z,\.:o
AppcndixIll: MassSpcctra
7l
r00
80
60
40
2A
looi'l
80
60
I
I
I
=--
Appendix
III: MassSpcctla I -'\
100
Bt)
60
,10
2Q
.A..Vorc
V(cH2)4-cH3
80
60
40
20
tr
AppendixIII: N,lass
Spectra 75
RT : 3. 4- 5 A l: 8 1 5 K l : 8 2 1 Oc te n e< (2 E )->
CA S #: 13389- 4 2 -9 MF : C 8 H l 6 F W: 112 MSI) LIB#: 1208
CN: 2-rrctcne. (11)-
Syrronynts: none
Source:rcf. cpd. cx E. von Rucllol'l'
4l
RT : 3. . 52 A I : 8 1 9 Kl : 8 2 6 Pyrazine <nretlryl->
CAS#: 109-08-0 MF: C-5H6 N2 FW: 94 MSD LIB#: -57
CN: pyrazine,. ntcthyl-
Syrronyrns: none
Soulce' : AlclrichChcrn.
t 00
80
60
(,,4
/.\
40
20
r00
80
60
40
20
76 Adams: EssentialOil Componentsby GC/MS
t00-.,1l
I
80 I
60
10
20
w
Appendix III: Mass Spectra
7',|
c)^"
r00 96
80
60
40
t00
80
60
40
20
4u b0 80 100
A^
78 Adams: Essential Oil Components by GC/MS
74
100
._(_"
Appcndixlll: MassSpectra 79
100
Y'l-
100
r00i,l
\\.A?'^\\v/'oH
80
60
t00
Io0
80
6t)
80 Adams: EssentialOil Cornponentsby GC/MS
100
80
60
40
20
----"A-(
t0 0 {l
/t",9-'.-.2""
80
60
t00
r00
Appendixlll: MassSpectra 8l
r00
80
60
40
20
t00
55
100
8(
fi)
40
/.\
tt()
60
.10
4
Y
20
Adams: Essential Oil Components by GC/MS
56
cH3(cH2)s-OH
t00
80
60
40
20
43
r00
fit"'rt-"-.zo'
80
60
40
20
84 Adarns:EssentialOil Componentsby GC/MS
tl
vv\o-l
I
40 60 80 100 t20
-Y^
100
80
60
-,-l\..^"^"
40
20
Appendix
III: MassSpectra
85
3r
-^.-'.\ I
y'"zo)--
19
100
80
60
40
40 60 bu
OH
II
*
Appendix III: Mass Spectra
87
cH3(cH2)4-c(=o)cHS
t00
80
60
40
20
t0 0 .._r-.._,-Y""
80
60
40
20
(:)-"-
AppendixllI: MassSlrcctra
89
r00
80
60 -^-Ao*
-10
20
43
cH3(cH2)7cH3
I 6U I(D 120
r00
80
60 -")(-
90 Adams: EssentialOil Componentsby GC/MS
?5"/
100
*o
40
20
Y"\-^oA
Appcrrclix
III: MassSpectra 9l
8(
fi
40
20
"5
RT: -5.12 AI: 90(r Kl: 908 Santolinatriene
C A S #: 2153- 66 -4 MF : C l 0 H l 6 F W : 136 MSD LItl#: 226
CN: l .-l-hcxaclicnc. 3-ethcnyl-2.5-cli nrcthvl-
Svnonytrrs: rrone
Strttrce:Artetni.siatridentata,SLC. Utah" RP Adarns#5511',1.40c/c, Santolinar:honnecvl.tari.sstts,
Sci. Plrarrrr.
55:2(:7(|981 );0.407oOrmcnisnti.uta:0.361h Artemisiat,e,ttita
|(x)
80
Yl
60
-t0 \-V-
l0
RT : - 5. 1. 1 A I : 9 0 7 KI:9 0 9 B u ty l p ro p a n oate
C . \ S #: 590- 01- 2 MF: C7 Hl4 02 F W: 130 MS I) LIU #: 33 t
CN: propanoicacicl,butyl estcr
S r nt ' r nY ntUN
s: l9l4
Source:Af dlich Chern.: 0.1J aL;Ci t rus sinensi.s,.IEOR7 : 10-5(199-5 );
(t.() | (ic ln vencler artg ust ifo I i a; 0.{\| (k Sp art i un. lul cew n
.j
/Yo-\/'-\//
92 Adams: EssentialOil Comnonentsbv GC/MS
"w
,---"yJ--
.(.^^y
AppcndixIll: MassSpecrla 93
dl-"
CHs(cH2)4-o-Ac
z v
r-F-
Appendixlll: Mass Specrra
v.\
100
80
60
'ts
40
20
d
ou u0 100
acetate
RT: 5.35 AI: 914 KI: 919 Buten'l-o|,3'methyl'2-'
CAS#:l19l-16-8 MF: C7 HIzOZ FW: 128 MSDLIB#: 1712
acetate
I -ol, 3-methyl-,
CN: 2-buten-
Synonyms: prenylacetate, acetate
dimethylallyl
Source:AldrichChem.
100
80
60
40
20
- lr -
)
l
l
!
Appendixlll: MassSpectra 97
o
tl
+
I
40 60 80 100 120
r00
80
60
40
20
43
4I
//\o)'\/\/
r00
80
60
40
20
Appcndixlll: MassSpectra 99
40 60 80 100 120
I 00
80
100 EssentialOil Componentsby GC/MS
I
o
A
40 60 80
O
-f--
80
60
40
W
20
4l
r00
80
68 74
60
40
t02 Adams: EssentialOil Componentsby GC/MS
q
RT: 5.78 Al:929 KI: 936 Ethyl tiglate
CAS#:5837-78--5 MF:C7Hlz02 F]il: 128 MSD LIB#: 1960
acid,2-methyl-,ethylester,(E)-
CN: 2-butenoic
Synonyms:tiglic acid, ethyl ester;cortonic acid, 2-methyl-,ethyl ester'(E)-
Source:BedoukianRes.ex J.IBrophy; 0.087oGardeniaiasminoides,
p. 90, in: Aromatic Plants& EssentialConstituents,PeaceBook Co', Hong Kong(1993);
0.017oSpondiascytherea
100
80 o\,/
60
40
I
ar
)
IE
AppcntlixIll: N4ass
Spectra
103
y)' I
l ( x)
80 ll
60 ,-\.)\a-\r.
i0 I
20
R T : - 5. 82 A I : 9 3 1 KI: 9 3 g A l l y l i s o v a l e rate
C,,\S#:283.5-39-,1 MF-:C8 hltl 62 F.W:142 MSI) LIII#: I t2
CN: bulartoicacicl.3-rnethyl-,2_pr.opernyl estcr
Sl n.nynrs:allyl 3-ntethylbutan.ate: 2_propenyt 3_r'ethylbutanoate
So111sg' AlclrichChcrl.
l 0(
80
N.Y\.
60
-10
nt
1l
l
104 by GC/MS
Adams:EssentialOil Components
0r.'
RT: 5.85 AI:932 KI: 939 Pinene<c->
CAS#:80-56-8 MF: Cl0 Hl6 FW: 136 MSDLIB#:912
CN: bicycfo(3. I . I )hept-3-ene,2,6,6-trimethyl-
Synonyms:2-pinene
Source:Juniperushtcayanaleaf oil, RP Adams #2863;88.137oPinus kesiya,
The ChemicalCompositionof Pinus kesiya oil from Yunnan,.I-L Lo, in: Flav. & Frag.:
A World Perspective,Lawrence,etal.,(eds.),Proc. 1OthIntl. Cong. Ess' Oils', Wash' DC(1996);
87.407oSequoiadendron g i ganteum; 7 8.617oP i stqcia Ienticus
-
AppendixIII: MassSpectra t 05
100
80
60
40
Y^-t"
20
100
80 ./-"-'./o'
60
40
V
CA S #:. 54l- 8- 5 -5 MF: C8 H l6 o FW: 128 MSD LIB#: 78-5
CN: heptanone, -5-methyl-3-
Synonyrrrs: 3-rnethylbutylethyl ketone
Sourcc:Aldlich Chem.
A1
r00
80
6(
4(
20
106 Adams: EssentialOil Componentsby GC/MS
/\o
o--
RT: 6.05 AI: 939 Kl:946 Valeric acid <3-methyl'>
CAS#: 105-43-l MF: C6 H12O2 FW: I 16 MSD LIB#: 1-532
CN: pentanoicacid, 3-methyl-
Synonyms:3-methylpentanoicacid
Source:acetoxyhexane,2-ex JJ Brophy
Appendixlll: I\4ass
Spectra to7
80
60
40
)lr
1001,1
80
60
40
120
60
40
20
tffi Adams: EssentialOil Comoonentsbv GC/MS
100
80
60
40
100
80
60
40
20
t(x) 93
80
60
4(
l(x)
u0
60
40
20
t00
,OG
80
60
40
20
ll0 Adams: EssentialOil Componentsby GC/MS
100
80
60 --AA.A
40
20
-
Appcndixlll: MassSpectra
lll
100
Y)
RT:(r.43 AI:9-52 Kl:960 Benzaldehyde
CAS#:l(t0-52-7 MF: C7 H6 O FW: 106 MSDLIB#:310
CN: bcnzaldchyde
Svnonynrs: artil'icialhlackherry:artillcialalmoncl
.Sourcc: artiflcialhlackhelryllavor,LorannInc.; 95.00%,prunrr,scrulcis, p. (tl .
in: Dic nntttel'liclren
und kuenstilchcnArcrrne n. Dr. Alll'eclVerlagPubl.,He.iclelherg(
1982);
95.007oPnutus arnteniaca(kernel); |0.07a/(, Derdntbium chrysatoxumfilower-)
,Y
ra>
\2
67
100
80
60
4{)
xF"
RT: 6.58 AI: 958 KI: 965 Heptan-2-ol<6-methyl->
CAS#:4730-22-'l MF: C8 H18O FW: 130 MSD LIB#: 778
CN: 2-heptanol,
6-methyl-
Synonyms: none
Source:ref.cpd.ex P. Weyerstahl
.:::
,=:
,=:1
=!!
=:!
=!:
,r!!
=!:
:l:
n:
::::
=!:
:::i
E
=
100
80
Wo,
60
40
20
4l
cH3(cH2)6-oH
lt4 Adams: Essential Oil Components by GC/MS
41
100 woH
80
60
40
20
Ir
lrY"'"
\,/\
I00
tl
80 tl
fi) 1o\Ao,"
40
\_/
20
l16 Adams: EssentialOil Componentsby GC/MS
5
140
tl
o
A
m
-
Appendix Ill: Mass Spcctra
il7
t00
80
60
40
€r"'
20
80 /'/tQtr
,
60
40
118 Adams:EssentialOil Componentsby GC/MS
*
'tl
tl
o
80
60
40
20
=-,-
I
*'l
I
OH
120 Adams: EssentialOil Componentsby GC/MS
:
=
00
80 ill
rl
(r0
./\
:
PiT:7 .27 AI: 982 KI: 986 Pinane <cis->
CAS#: 6876-13-7 MF; ClO Hl8 FW: 138 MSD LIB#: 1297
CN: bicyclo(3.1. I )heptane,2,6,6-trimethyl-,( I tt,28,5ct)-
Synonyms:none
Source:SCM Chems.ex H. Hills
4l ):)
100
80
60
40
20
'u'"
RT: 7.28 AI:982 KI:986 Octen-2-ol<(3tr1-v
CAS#:57648-55-2 MF: C8 Hl6 O FW: 128 MSD LIB#: 2020
CN: 3-octen-2-ol,(3E)-
Synonyms: ffans-3-octen-2-ol
Source:Bedoukian Res.ex.IJBrophy
100
80
60
40
r 6u t00 120
o
,-
I
t2 4 Adams:EssentialOil Componentsby GC/MS
6
RT:7.39 AI: 986 KI: 989 Decene<l'>
CAS#: 872-05-9 MF: ClO H20 FW: 140 MSDLIB#: 1219
CN: decene(l-)
Svnonvms:none
Source:Olefins stock mix, Aldrich and SigmaChem.;6.207oNicotianq rustica,
JEOR 7:265(1995);0.307oMachilus bomb)tcina'0.207oMinthostachysspicata
CHr=ct11sl1r)7Cnt
O^*'
= -t -
Appenclixlll: Mass Spectra
t25
41
t00
80 cHscH2cH(oHxcH2)4cH3
60
40
t20 140
Q
126 Adams: EssentialOil Componentsby GC/MS
cH.c(:o)(sl'lz)scHr
4l o<
f
-m
Appendix
III: MassSpectra r27
0
,-\
40 60 80 100 120 t4
100
80
60
40
60 6u I t't' t L'
40
*'f| -=-/
--
AppendixIIII MassSpectra t29
Y,_{-
-")i-
4l
ow
Adams: EssentialOil Componentsby GC/MS
80
60
O^"'"
40
20
80
60
40
20
cH3(cH2)8cH3
1l-F
Appendix III: Mass Spectla l3l
XX
RT: 7.79 AI: 1000 KI: 1000 Mentha-1(7),8-diene <meta->
CAS#:13837-9-5-1MF:Cl0 Hl6 FW: 136 MSDLIB#: 106-5
CN: cyclohexane,I -methylene-3-(
I -methylethenyl)-
Synonyms: none
Source:ref.cpd.ex K. Gollnick
100
80
60
40
20
r32 Adams: Essential Oil Components by GC/MS
/Y2-........... o.o"
Q
RT:7.85 AI: 1002 KI: 1002 Pyrazine<2'ethyl-3'methyl'>
CAS#:15707-23-0 MF:C7HlON2 FW:122 MSDLIB#:64
CN: pyrazine,2-ethyl-3-methyl-
Synonyms: none
Source:Aldrich Chem.
(:r
Appendixlll: MassSpectla r33
100 93
80
60
40
2(
4l
t00
80
6C)
4o
l( x)
po-ac
ti0
fi)
40
20
134 Adams: EssentialOil Componentsby GC/MS
RT: 7.96 AI: 100-5 KI: 1006 Cresol methyl ether <o'>
CAS#:578-58-5 MF: C8 HlO O FW:122 MSDLIB#: 1664
CN: benzene,I -nrethoxY-2-methyl-
Synonyms:o-methyltoluene,o-methylanisole
ChirnikaChronikal0:l 19(1988);
Pistacial,entic:us.
Source:Al<lrichChem.l0.44a/o
0.177oBoswelliacarterii
O-Me
80
I
60
(/
40
20
r-1F
Appendix lll: Mass Spectra
r35
o
:
- 'q 'H
l
I
)--""Y-
Appendix
Ill: MassSpeclra 137
RT : 8. 18 A I : l 0 l I K I: l 0 l 3 D i c h l o ro b e nzene4,4->
CAS#: 106-46-7 MF: C6 H4 Clz FW: 146 MSD LIB#: 590
CN: benzene.1.4-clichloro-
Svnonylns:p-clicholorobenzenel paracide;parazene;para crystals
Source:ENOZ Inc., rnothballs
+
cl
Q
138 Adams: EssentialOil Componentshy GC/MS
Y
,4"
\_/
<(28,48)'>
RT:8.27 AI: 1013 KI: 1016 Heptadienol
CAS#:33467-'79-7 MF: C7 HlzO FW: 112 MSD LIB#: 2103
I -ol,
CN: 2,4-heptadien- (2F'48)-
Synonyms:none
Source:BedoukianRes.
S*
C,Y-
r 00 t22
tt0
60
4(
20
4l
o
tl
/\./y_z\/ ln
I
:
l
Adams: EssentialOil Componentsby GC/MS
(x-
RT: 8.43 <3'methyl'I,2->
AI: 1017 KI: 1021 Cyclopentanedione
CAS#:765-70-8 MF: C6 H8 ()2 FW:112 MSDLIB#:169l
3-methyl-
CN: 1,2-cyclopentanedione,
Synonyms: methyl cYcloPentanone
Source:Aldrich Chem.
il
(\<.
\/
Source:BedoukianRes.
AppendixIII: MassSpectra
141
I
I
/\
lt l
i4
l
J---_-_.T
140
tl
.Ga-o/v
I
Q
RT: 8.59 AI:1022 KI: 1026 CYmene<o->
C A S #: 527- 84- 4 MF :C l OH 1 4 F W:134 MS D LIB #:1529
CN: benzene, I -methyl-2-(1-methylethyl)-
Synonyms:none
Source:Vafencia ofangeleaf oil ex MG Moshonas,USDA; 2.20VaAchillea colina,
Rasrir.Resur2 I :69(I 985); 0.507oBoswellia carterii; 0.467oP erseapodadenia(leaf
?
-
Appenclix
lll: MassSpectra 143
t00
d
80
60
40
20
A
RT: 8.73 AI: 1025 KI: 1030 Sylvestrene
CAS#:1461-21-4 MF: ClOH16 FW: 136 MSD LIB#: 1453
CN; cyclohexene, I -nrethyl-5-(
l-nrcthylethenyl)-
Synonynrs:rn-mentha- I (6),8-diene
Sourcc:ref. cpd.ex H,.vonRudlolT
Adanrs:E ssentialOil ComponentsbY CCiMS
t44
/\
I
(/,
tl
-\
OH
I
(/
-f-
i
Appendix
III: MassSpectra 145
(>^"
RT:8.89 AI: 1030 KI: 103-5Thiazole<2-isobutyt->
CAS#: 18640-'74-9 MF: C7 Hl I N S FW: l4l MSD LIB#: -56
CN: tlriazole,2-(2-nethylpropyl)-
Synonyms: 2-isobutylthiazole
Source:AldrichChem.
OT
100
80
o/\./
60
40
Appendix lll: Mass Spectra
147
I
|,-o!
)
0 -A-.
O-Ac
- - t- r
Appendix III: Mass Spectra 149
tl
*o'7l'\
40 60 80 t0
40 60
10 0
80
60
40
20
:
150 Adams: Essential Oil Components by GC/lr4S
100
.-.--.-"M
ll
<3->
RT: 9.50 AI: 1046 KI: l0-52 Methyl'2'cyclohexen'1-one
CAS#:I193-18-6 MF: C7HlO O FW: 110 MSDLIB#: 1693
I -one,3-methyl-
CN: 2-cyclohexen-
Synonyms: pseudenone,MCH
Source:AldrichChem.
b
Appendix III: Mass Spectra 151
100
80 ^"%O)<\
60
40
20
1 00 140
r"lA
RT:9.-59 AI: 1049 KI: 10.54 Octen-l-al <(28)->
CAS#: 2-548-87-0 MF: C8 Hl4 O F'W: 126 MSD LIB#: 1938
CN: 2-octenal,(E)-
Synonyms;octenal,trans-2-
Source:BedoukianRes.ex J.IBrophy;0.707oRltuscoriaria,p. 81, in: DragocoBericht(1993);
0.06VoSp ondias cytherea; 0.0 | 7oD aplute g enktva
-l mt
Appendix III: Mass Spectla r53
r00
80 o\,/
60
40
20
40
108
OH
I
/Y
w
RT:9.67 AI: 10.51 KI: 1056 Bergamal
CAS#: 106-72-9 MF; C9 H16 O FW: 140 MSDLIB#:790
CN: -5-heptenal,2,6-dimethyl-
Synonyms:melonal;heptenal,2,6-dimethyl-5-
Source:ref. cpd. ex E. von RudlofT
154 Adams:EssentialOil Componentstry GC/MS
100
I
A
Y
-A-.
t- m
AppendixIll: MassSpectra r55
r00
i
./"\./0"
\_/
Y"
(,
RT : 9. 88 A l: 1 0 5 6 K I: 1 0 6 2 Arte n ri s i ak e tone
CAS#: 54(t-49-6 MF: C10 Hl(r O FW: 1.52 MSD LIB#: 223
CN: 1,5-hcptaclien-4-onc, 3,3,6-trinrethyl-
Synonyrns:nonc
Sourcc:Artenti,sicr trirlentata.SLC. tlT ex RP Aclanrs#5511:64.00% Artemisia an.nua,
Tolev ac t al.pape r# l 1 7 .V l th In tl . C o n g .o f E s s .Oi l s.S anFranci sco(1974);
46.O(Y/o Artenisicrltotttit:a;45.00%Santolinachatttoecl,ltari,s,stt,s
100
80
60
40
20
r56 Adams:Essential by GC/MS
Oil Components
o^--
RT:9.92 AI: 10-57 KI: 1063 Benzenemethanol <c-methyl'>
CAS#:98-85-l MF: C8 HlO O FW:122 MSD LIB#: 274
CN: benzenemethanol,o-methyl-
Synonyms:c-phenethyl alcohol; phenylmethylcarbinol; styralyl alcohol
Source:Aldrich Chem. ex Art Tucker
d'
r00
80
60
40 80 r0 0
r00
80
60
40
Appendix III: Mass Spectra t57
105
80
60
40
20
100 120
43
I
2-'-{-'<"
ill
ol
8-5
57 r0 3
r00 120
4l
55
80
60
82
40
20
;
I
"offi
100
H
I
60 4rA"
ttl
40 \,/\
20
80 100 120
43
79
t40
;l
t
41
100 cH3(cH2)7oH
80
60
40
40 60 80 100 t20
4l
100 .5.5
80
60
82
40
40 100 t20
9l
l t9
65
t60 Adams: EssentialOil ComponentsbY GCiMS
RT: 10.20 AI: 106-5 KI: 1070 Sabinenehydrate <cis'> (IPP vs. OH)
CAS #: 17699- 16- 0 MF :C l 0 H l 8 O F W : 1 -5 4 MS D LIU #: 1438
CN: bicyclo(3.1.0)hexan-2-o|,2-methyl-5-(l-rnethylethyl)-,(la'2o,-5o)-
Synonyms:trans-4-thujanol;trans-sabinene hydrate(transfor Me vs. lPP, old narne)
Source:Strobilanthesoil ex P. Weyerstahl;25.007oMa.ioranalnrtensis, FF.T2:5-5(1987);
2 | .537oOriganum rotundifolium; 10.8|a/oOriganum nicranthum
^'$\
--ll-l'
AppendixIII: MassSpectra
t 6l
80
60
40
20
102
40 60 80 r0 0 120
59
=
:
fl0
(:0 -\-
I btl
94 t / tl
40 -v
lll
t2l 1.55 -+r
t37tqt - t\
OH
40 60 80 r00 t20 140
79
60
93
40 l 07
12l
162 Adams: Essential Oil Components by GC/MS
100
80
60
ID
40
20
100
=
100
?
80
tftl
60 t/\
\ I
40 I
20
II
r00 I
80
60 I tl
40 Ion
20
Appendix III: Mass Spectla r63
t00
80
40 60 80 r0 0 120
t07
5t
60
63
77
80
90
r00
+
RT: 10.4-5 Al:1072 KI: 1076 Cresol <meta->
CAS#: 108-39-4 MF: C7 H8 O FW: 108 MSD LIB#: 1042
CN: phenol,3-mcthyl-
Synonyms:m-methylphenol; nr-oxytoluene;3Jrydroxytoluene;m-tolulol
Source:FisherSci.;2.33VoJqsninuntsanrbac,F'F-JI | :57(1996);2.017o
Narcisstt
0.457oNarcis sttsj onEtilla
t00 r0 8 OH
I
r-
\-.
79
164 Adams: Essential Oil Components by GC/MS
100
80
60
40 60 80 100 t20
91
r19 H
I
6.5
-V^rA"
l:
(:X
40 60 80
t00
80
y'".,2")a*
60
40
20
166 Adams:EssentialOil Componentsby GC/MS
100
lo H
80 tl
60 %
40
20
43
0()
8()
6(I
40
--t-r
Appendix III: Mass Spectt'a 167
l 2l
RT: 10.80 AI: 1081 KI: 1084 Hexenal <(22)->, diethyl acetal
CAS#: 87383-46-8 MF: ClO H20 02 FW: 112 MSD LIB#: 804
CN: 2-hexene,I,l -diethoxy,(Z)-
Synonyrns:l, I -diethoxy-22-hexene
Source:BedoukianRes.ex Art Tucker
t00
80
60
40
20
r68 Adarns:EssentialOil Componentsby GC/MS
r
100
80
60
40
20
--:l -F
AppendixIII: MassSpectra
169
r00
=
80 .:
60
( / tl
40 :
=
tl7As I
OH
4u ou E0 100 120
100 r00
80
60
40
o
tl
\-,
l'10 Adams:EssentialOil Componentsby GC/MS
Q
<2->
RT: 10.97 AI: 1086 KI: 1088 Acetylthiophene
CAS#:88-15-3 MF: C6 H6 O S FW: 126 MSD LIB#:-51
CN: ethanone,I -(2-thienyl)-
Synonyms: ketone,methyl2-thienYl
Source:Aldrich
O---
-rm
Appcnclixlll: MassSpectra
t 7l
I 00 t09
8(
6(
4(
I 00
80 o\-r'-
60
40
20
o
r00
80
ll
,n,.,-,r,u-.r.
60
40
)a l
172 by GC/MS
EssentialOil Components
100-.,11
80 a\,
60 (ill
40
A
RT: 11.0-5 AI: 1088 KI: 1090 Norbornen-2'olacetate<exo'S'>
CAS#:5257-37-4 MF: C9 Hlz 02 FW: 152 MSD LIB#: 1182
-en-2-ol,acetate,exo-
CN: bicyclo(2.2.1)hept-5
Synonyms:none
of norbornen-2-ol<exo-5->(6288)
Source:acetylation
//t'\./t\r/")a-
'i' .,\
| [)
IY
rl -\
, f , , lll,
140
\,-7\."\A OMe
6
o .
\€-,J-OA
<3->
RT: I l.14 AI: 1090 KI: 1092 Isopropyl'2'methoxypyrazine
CAS#:25773-40-4 MF:C8 H12 N2 O FW: 152 MSD LIB#: 1622
CN: pyrazine,2-methoxy-3-(
I -methylethyl)-
Synonyms: none
Source:Aldrich Chem.
100
80
60
40
20
Appendix III: Mass Spectla 175
80
60
4t)
20
:-,,'\.t.4-ol\--\
tl
r00
80
60
40
20
l',l6 Adams: Essential Oil Components by GC/MS
100
80
60 @N*
40
20
100
80
60
40
20
40 60
\,-
tl
o
RT: 11.41 AI: 1098 KI: 1098 Sabinenehydrate <trans-> (IPP vs. OH)
CAS#: 15826-82-l MF: C10 Hl8 O FW: 1-54 MSD LIB#: 1439
(1o,2B,-5cr)-
CN: bicyclo(3.1.0)hexan-2-o1,2-methyl-5-(1-methylethyl)-,
Synonyms:cis-4-thujanol;cis-sabinenehydrate(IPP vs. Me, old name)
Source:Strobilanthesoil ex P. Weyerstahl;85.307oMentha candi,cans,Ag. Biol.
Chem.42:433(1978);26.207oLippia ukambemsis;10.007oThymuspinewood
43
Appcndixlll: MassSpcctra 179
80
60
4(
20
80
60
40
20
I
cH3(cH2)scH3
4u 6U 80 100 120 14
r00
80
60
40
t8 2 Adams: EssentialOil Comnonentsbv GCiMS
RT: I 1.50 AI: I 100 KI: I 100 Methyl butyl-2'methyl butyrate <2->
CAS#: 2445-18-5 MF: Cl0 H20 02 l:W: 172 MSD Ltll#: 1698
CN: butanoicacid,2-methyl-,2-tnethylhutyl ester
Synonynrs: none
Source:Aldrich Clrenr.;12.007aAnthenisnobilis,EssenzeI)eriv. Agrum.93:107(1913);
0.547oMyrtus t:onuntrnis(unripe l'ruit):0.407oAchillea willtelmsii (Egypt)
----l--'-"/---
oV.(cHz)z-CHa
l(
80
60
40
)al
100
-rrtr-FFr
Appendix
III: MassSpectla 183
80
--Y"\--^v1-,/
60
40
20
r00
80
60
40
20
=
:
H,.
qL',(./ ;- -o
Y-
l \l
t\ I
l\ |
:
=
184 by GC/MS
Adams:EssentialOil Cornponents
100 .-*zt-rA/
80
60
40
20
AppendixIII: MassSpectra
185
-r---"lT
100
80
60
40
20
I
I
\-/\,,-o\,.\,/
ttl
r8
<2->
RT: 11.66 AI: 1104 KI: 1104 Isopropyl-5-methyl'(2E)-hexenal
CAS#:69104-96-7 MF:ClO H18O FW: 154 MSD LIB#: 1626
5-rnethyl-2-(
CN: 2-hexenal, (2E)-
I -rnethylethyl)-,
Synonyms: aldehyde
isodihydrolavandulyl
Source:AldrichChem.
43
r00 67
80
60
40
OH
I
\r,^.
\)
r00
80
60
40
20
r8 8 Adams: EssentialOil Componentsby GC/MS
RT: I 1.77 AI: 1106 KI: 1 108 Leaf alcohol <ethyl acetal->
CAS#: 28069-14-l MF: ClO H20 OZ FW 172 MSD LIB#: 2116
CN: 3-hexene,l-(l -ethoxyethoxy)-,(32)-
Synonyms:leaf acetal
Source:BedoukianRes.
fi"
126
t 00
tt0
60
40
20
t 00 9l
80
60
40 d
-\
?
Me-oAo-Me
190 Adams:EssentialOil Componentshv GC/MS
z+J
# I
O-Ac
""-o\
R T: 1 1. 99 A I : llll KI:1 1 1 3 H e p te n y l a c e ta te< (28)->
CAS#: 16939-13-4 MF: C9 Hl6O2 FW: 156 MSD LIB#:793
CN: 2-hepten-l-ol,acetate, (E)-
Synonyms:trans-2-heptenyl acetate
Source: Bedoukian Res.ex Art Tucker
43
o" o*
- l i ;F -
I
Appendix III: Mass Spectla t 91
100
80
60
40
20
40 60 80 100 120
)"--..-"rL-|-
'- ou
i - I- .[-
AppendixIll: MassSpectra
193
otl
r00 82
\-^-l
80
lr >
60 Ytl
40 o
t00
80
60
40
20
OH
I
R T 12. 32 A I : l119 K l : l I2 2 M y rc e n o l
CAS#: 543- 39- 5 MF :C l OH l 8 0 F W :1 5 4 MS D LIB #: l l 18
CN: 7-octen-2-ol,2-methyl-6-rnethylene-
Synonyms:none
Source:IFF'ex SuzanneKral; I .407oEl,sholtz.ia blanda,Proc.lntl. Cong.of Ess.Oils,
New Delhi, India 4:49(1989); 1,127o Hyssopus fficinalis:0.70% Viburnunrorientale(leaf)
r60
t
-IF-r
Appcnclix
Ill: MassSpectla t 95
(x)
80
60 N
A
RT : 12. 33 A I : I I l 9 K l : l l 2 2 P i n e n el ry d r ate< trans->
CAS#: 4948-29-2 MF': C l0 H l8 O FW: l-5zt MSI) LIB#: 1.100
CN: bicycfo(3.| .l )hcptan-2-o1,2.6.6-trinrcthyl-. ( ls.2F.5c)-
Synonyms:pinan-2-ol<trarls->
Source:rcl'. ct-rcl.
ex li. von Rudlol'l'
i)
|(x)
80
60
,+0
,$
2(
RT : I 2. 35 A t : I 1 2 0 K I: I 1 2 3 O c ta n o la c e tate< 3->
C A S #:48( 14-l-63 MF: C l0 H20 02 F W : | 72 MS D LIB #: 12-54
CN: 3-octanol.acetate
Synonynrs:none
Sourcc: acctylationo1'pcppermint oiI (-5498.t
I 00
u0
60
't()
20
196 hy CC/MS
Adams:EssentialOil Compcrrrenls
OH
..,^__.rl_.__\-\
<l->
RT: | 2.45 AI 1122 KI: I 125 Undecyne
CAS#:2243-98-3 MF: Cl I H20 FW: 1.52 MSD LIB#: l-526
CN: l-undecyne
Synonyms: none
Soulce:Pfaltz& Bauerex Art Tucker
AppendixIII: MassSpectra 197
4rJ 60 80 100
80
60
40
20
100 140
o(cH2hcH3
100
80
60
40
20
40 60 80 t00 l2{)
o
tl
/>:a\
I
79
100
80
60
40
20
propanoate
RT: 12.79 AI: I130 KI: 1134 Cyclohexyl
CAS#:6222-35-l MF: C9 Hl6 02 FW: l-56 MSD LIts#:534
CN: propanoic
acid,cyclohexylester
Synonyms:cyclohexylpropionate
Source:BedoukianRes.ex Art Tucker
Appendix
Ill: MassSpectra 201
il
100
RT: 12.88 AI: I 132 KI: I l3(r Limonene oxide <cis->(Me vs. IPP)
C A S #: 13831- 1 5 -l M F : C 1 0 H l 6 O F ' W: 152 MS D LIB #: 1007
CN: 7-oxal"ricyclo(4. l .0)hcptane.I -rnethyl-4-(| -rncthylethe.nyl)-,(
I o,4u.6a)-
Synonynrs: p-nrentl.r-8-ene,1,2-epoxy-,cis-;1,2-epoxydipentene
Source:Aldrich Chcnr.
t00 a2-
80 a)
tl
II
60
40 i
')(\
-\
j
(:r.
RT: 12.93 AI: I 133 KI: I 137 Mentha-2,8-dien-1-ol <cis'p->
CAS#:3886-78-0 MF: ClOHl6 O FW: 152 MSDLIB#: 1070
CN: 2-cyclohexen-l-ol, I -methyl-4-11 cis-
-rnethylethenyl)-,
Synonynrs:none
Source:ref.cpd.ex GuyCollin
t00
80
60
40
20
'.,o
I
4l
100
40 60 80 luu tzu
43
Appendix
III: MassSpectra 205
100
80
60
40
€,"
20
=_
i
-t9,
-\
RT: 13.10 AI: ll37 Kl 1142 Sabinol <trans-> (trans for OH vs.IPP)
CAS#: 29606-16-6 MF: Cl0 Hl6 O FW: 152 MSD LIB#: 1367
CN: bicyclo(3.1 .0)hexan-3-ol, 4-methylene- ( 1S,3R,-5S)-
l -( I -methylethyl)-,
Synonyms:4( I O)-thujen-3-ol, cis-
Source:ref. cpd. ex P. Weyerstahl;14.137oArtemi,siakawakamii,p.279 ' in; Aromatic
Plants& EssentialConstituents, PeaceBook Co., Hong Kong(1993);
A rtentisia ersica; 3.2 | VoArt entisia absinthunt
J .00a/a p
I
lr^
v\-,=
Appendixlll: MassSpectra 207
4
RT: 13.20 AI: | 140 KI: 1144 Ocimene<neo-allo->
C A S #: 3016-| 9- | MF: C l0 H l6 F W: 136 MS D LIB #: I l 98
CN: 2,4.6-octatriene, (E,E)-
2,6-dinrethyl-,
Synonyrns: allocirncneB; allocitncnc,(4E,6I1)-
Sourcc':Fluka Chcm.
ll
ffi
i
208 Adams: EssentialC)il Conrponentsby GC/MS I
I
.-][-Tr
Appendixlll: Mass Spectra 209
RT : 13. 23 A l: l l 4 0 K I: l 1 4 5 l p s d i e n o l
CA S #: 3. 5628-0 0 -3 MF : C l 0 H l 6 O F W : l -52 MS D LIB #: 848
CN: 2,7-octadien-4-ol. 2-rnethyl-6-rmcthylene-
Synonynrs: none
Source:r'ef-.cpd. ex H. Hills
100
100
80
60
40
R T:13. 28 A I : 1141 K I: 1 1 4 6 C a mp h o r
CAS#:76-22-2 MF: ClO H16O FW: 152 MSD LIB#: 896
e <l ,7,7->
CN: trimethylbicyclo(2.2.1)heptan-2-on
Synonyms:bornanone,2-
Source:Juniperus bermudiana ex RP Adams #2554; common in conifers;
86.66VoCinnamomumparthenoxylum,p.31, in: Aromatic Plants& Essential
PeaceBook Co., Hong Kong(I993); 83.87VoCinnamomumcamphora;53.46Vo
80
60
40
20
40 60 80 100 120
95
80 77
60
65
40
40 60 80 100 120
67
100
Appcnclixlll: MassSpectta 2ll
=
:
tl
tl
tl
|
-oH
)-^-")4
RT: 13.37 Al 1144 KI: | 148 Isopulegol<neo->
CAS#: -59905--53-2 MF: C l0 H l 8 O FW: 154 MSD LIB#: 880
CN: cyclohexanol, ( I a, 28,-5cr)-
-methylethenyl)-,
-5-methyl-2-(l
Synonyrns:none
Soulce:Aldrich Chem.
100
212 Adams: EssentialOil Conrponentsby GC/MS
!
RT: 13.37 AI: I144 KI: 1148 Necrodol<trans-c->
CAS#:104104-38-3MF: Cl0Hl8 O FW: l-54 MSDLIB#:2094
I -methanol,
CN: 2-cyclopentene- ( I R-trans-)
3,4,5,-5-tetramethyl-,
none
Synonynrs:
Source:Lavandulaluisieri.ex NicolasBaldovini
!'no"'\oH
80
60
40
2A
100
40 t00
43
100
80
60
40
20
80
R T ; 13. 43 A I : 1 1 4 .5 K I: l l 4 9 Is o p u l e g o l
CAS#: t21468-66-4 MF: ClO Hl8 O FW: 154 MSD LIB#: 879
CN: cyclohexanol, -5-rnethyl-2-(l -methylethenyl)-, (1a,2u,581-
Synonyms:none
Source:Aldrich Chern.;1 1.207oSature.jagitliesii,JEOR 8: I 83( I 996);
| 0.33VoEucalltptuscitriodora; 4.907oCitrus hystrix
4l
-:
80
67 tl
60
40
8l
121 \-1.
20
40 60 80 100
83
100
80
60 55
4{)
=
214 Adams: EssentialC)il Comnonentsbv GC/MS
t00
80
60
40
20
-ilt:flnF'
Appendixlll: MassSpectra 215
i
\.4=4=."t|
60
40
20
40 60 80 100
+-)
93
t2l
40 60 80
4l
69
8-5
216 Adan.rs:EssentialOil Componentsby GC/MS
R T: 1 3. - 5- 5A I : 1148 K I: 1 1 .5 2 Me n th o n e
C AS#: 89- 80- 5 MF : C l 0 H l 8 O F T V :l -5 4 MS D LIB #: 126l
CN: cyclohexanone,5-methyl-2-(I -methylcthyl)-,trans-
Synonyms:p-menthan-3-one, trans-
Source:Peppermintoil, McCormick Co.; 60.007oMentlw longifolia'
Par.f.,Cosm.,Arolres 64:83(t985); 57.207oMenthaspicata;54.Il7o Satureiaboliviana
t00
80
A
60 (-(
40 :
20
100
80
60
-t^"\o-
40
AppcndixIII: MassSpectra 217
-"Y'A
43
=
?./'.'*/""
V z
:
60 80
99
tr7
129 t42
4A 60 120 140
to0'.,1l
80
60 70
Appendix lll: Mass Spectra 219
100
80
60
40
20
r00
80
60
40
20
Adams:RssentialOil ComPonentsbY GC/MS
220
A
A
RT: 13. 82 A I : | 15 4 KI: I1 5 9 Ka ra h a n a e n o n e
C AS #: 19822' 67- 4 MF : C l 0 I{ 1 6 O FW: 152 MS D LIB #: 516
CN: 4-cyclohepten-l -one,2,2,-5-trirnethyl-
Synonyms:none
Source;cupressus,sargentiioil ex Larry Cool;0.70% crytressu,s senxpentrens'
composition of cypressoil, J. Garnero,etal,
in: Contributionto the study ol'the chenrical
Paper# I I 2, Cong.Ess.Oils, Kyoto( l 977)
4l
t\
x,
R T: 13. 83 A I : 11.5 4 KI: 1 l -5 9 P i n e n eo x i d e< p' >
C A S #: 6931- . 54- 0 MF :C 1 0 H l 6 O F ' W:l ' 5 2 MS IIL IB #:1303
CN: spiro(bicyclo(3. I . | )heptane-2,2'-oxirane), 6,6-dimethyl-
Synonyrns:pinane,2, I 0-ePoxY-
(leaf), 'TEOR2:61(.1990);
Source:Alclrich Chem.ex H. i{ills; 0.207oJttrtiperus.foetidissima
0.20%J trniperus tilo rl i n (zi i
4l
:[lJt-.
AppendixIII: MassSpectra 221
8l o
r00
80
60
4{)
138
0
A
r40
r00
80
60
40
)n
100
80
60
40
$r"'
t2l
40 t20
43 107
80 132
40 100
7l
100
80
60
40
8l t41
Appendix III: Mass Spectra
223
40
20
160
4l
r00
80 5.5
70
83
f",
'r', ll Adams:EssentialOil Componentsbv GC/MS
OAc
d
40 60 ttO luu tzu l4tr lou
A
t"
RT: 14.00 Al: l1-58 KI:1162 Cresol acetate<neta->
CAS#:122-46-3 MF: C9 HlO ()2 FW: 1.50 MSD LIB#:483
CN: accticacid,3-methylphcnyl estcr
Synonynrs:3-acetoxytoluene:3-tolyl acetate;cresatin
Source:acetylationof m-cresol(5828)
nnEEufl[r-i'
Appendix III: Mass Spectra 225
r00
'l
80
60
40
20
100
80
60
40
20
AppendixIII: MassSpectra
227
4l
t00
80
60
40
100
80
60
40
20
228 Adams: EssentialOil Componentsby GC/MS
4,4->
RT: 14.12 AI: 1161 KI: ll6-5 Dimetlroxybenzene
CAS#:l-50-78-7 MF: C8 HlO 02 FW: 138 MSDLIB#:613
CN: benzene,1,4-dimethoxy-
Synonyms:hydroquinonedimethyl ether;quinol dimethyl ether;p-rnethoxyanisole
Source:Aldlich Chern,:52.30%, Svringavulgaris,p.415, in: Flav. & Frag.:A World Persp,,
Amsterdanl(1988);
Lawrence,etal.,lOth Intl. Cong.of Ess.Oils, H'lsevier,
17.00a/oViola odora.ta;3.307aLv-castearomatica
O-Me
100
80 J-
60 lil
40
20
Y O-Me
I
o i
3
,,rrtt4OH
Ho/-V(cH2)5-cH3
60
40
20
40 60 80
57
68 82
95
t42
60 80 t00 t20 r40
t06 NH2
71
)0r-
230 Adams: EssentialC)il Componentsbv GC/MS
100
80
60
40
2(l
100 t20
il
r"o%
<(62)->
RT: 14.26 AI: 1164 KI: I168 Nonenol
CAS#:358.54-86--5MF: C9 Hl8 O I'-!V:142 MSDLIB#:2128
CN:(r-nonen-
| -ol,167;-
Synonyms:none
Source:
Bedoukian Res.
100
80
-oH
60
40
20
Appendix Ill: Mass Spectra 231
43
Harr,....r\......ttoH
,/\
/\
Me-O
R T : 14. 29 A I : 1 1 6 -5 K I: I1 6 9 Bo rn e o l
CAS#: 501-70-0 MF: C l0 H I 8 O FW: l -54 MSD LIB#: 31-5
CN: trimcthylhicyclo(2.2. | )heptan-2-ol<endo- l ,7,7->
Synonynrs:camphol
Source:Rosm.arinus uil, Firmenischex A.F. Thomas,'Juniperusleal'oils;
8l .187oCinrtarnomuru carnpltora,p. 26, in: ArornaticPlants& EssentialConstituents,
Peace
Btrok Co., Hong Kong( 1993);-5l.56VoCinnanlonurnlbunnannii;38.40'Vo Artemisia awllta
100
232 Adarns:EssentialOil Cornponentsby GC/MS
cH3(cH2)8oH
t
41 69
100
80
6()
l0
t0
r00
80
60
10
20
RT : 14. 3- 5 A I : l l 6 6 K I: I1 7 0 C o a h u i l e n s ol
CAS#: 21489(t-23-8 MF: C9 HlO O FW: 134 MSD Llll#: 2088
CN: phcnol,2-ethenyl-3-ltrethyl-
Synrxyms:none
Sotrce:Jrtrtiperus coalmilen.,si.s
v. ariKtni.caoil, RP Adams#7637,
identifie{bv NMR. VasuDcv
80
60
A.'=
\z(.H
40
20
O-Ac
+
:
R T: 1 4, 36 A I : 1167 KI: I1 7 0 A n g u s ti fo l e n o n e
CAS#: 122221-94-7 MF-:Cl I HlS O FW: l6fi MSDLIB#: 263
CN: 2-cycIolrexen-I -one, 2-ethyl-4,6,6-trinrethy r-
Synonyms:none
Source:Backhousiaangu,stifoliaex J..I.Brophy
I00
80
60
4{)
20
acid
RT: 14.37 AI 1161 Kl: I171 Octanoic
CAS#:124-07-2 MF: C8 Hl6 OZ FW: 144 MSD LIB#: 2068
CN: octanoic acid
Synonyrns:caprylic acid
Source:BedoukianRes.;4.00Scleriastriatinux(rhizorrre),
JIIOR 8:-59(1996);
jujuba;
2.297oZizypltus 1.107oPsidiuntg,uaiava
f",
41
100
80
60
40
AppcndixIII: Mass Spectla
235
R T : 14. 38 A I : I1 6 7 KI: I l 7 l U m b e l tu to ne
C A S #: 24. s 4- 5 -tl l -l MF : C l 0 H l ,l O F W: 1.50 MS D LtB #: l -518
CN: bicyclo(ll.L0)hex-3-en-2-one, 4-nrethyl-| -( t -nrcrhylethyl)-
Synonynrs: 3-tlrujen-2-one
S<rttrcc'UnrbelluloriacoliJontica(Calitirrniabay), RP Aclams#5432; | .B(to/c TorracetumvulgcLre,
.llroR -5:629( 1993);0.60%Euc'al.tptrts globulus;0.31./o Arterni,sia
ctksaietrsrs
h
-l-
R T : 14. 39 A l: 1 1 6 l K l : tl T l N l e n th o l
C A S #: l- 53. 56- 6 0 -2 MF ' :C l 0 H 2 0 O l .W : 1.56 MS D LIB #: 1258
CN: cyclohexanol,-5-rncthyl-2-( I -nrcrlrylc.thyl )-. ( | u,2$.5a1-
Synonynrs: pcpltcrntintcamphor';Incnthacantph(x.
Srrrrrcc: pcrppcrnrint oil, Mccor.nrickCo.; 95.00%Mentha an,ensi,t. p. 21. in: Stuclieson the
Alt er at ionol- lis s c rn tioaill C o rl p o s i ti o nS.
. O n o ,9thl ntl . C ong.ol l rss. Oi l s,S i ngap< x.e(1983):
ll .61(/,,Mentlta hoplocaly.r;69.76,/,,MetrtltcL x t'crticillota
=
:
tl
tl
Y."r,o*
I
2( l
4L) 60 ttO I0 0 | 20 | 40
|00
236 Adams:EssentialOil Componentsby GC/MS
79
o/X"
RT: 14.47 AI: 1 169 KI: I 173 Ethyl benzoate
CAS#: 93-89-0 MF: C9 HlO ()2 FW: 150 MSD Ltts#: 664
CN: benzoicacid, ethyl ester
Synonyms:benzylethylether
Source:Aldrich Chem.; 12.50%Liliu.mcandidum;p 415. in: Flav. & Frag.:A World Pemp.,
Lawrsnce.etal.,lOth Intl. Cong.ol'Ess.Oils, Elsevier,Arnsterclanl(1988);
1.007oArtemisia nronospennai| .00VoAcacia praecox (llower)
X
-El
t00
8C)
60
40
20
100 o
^ll
tl
1"\r'\o-'\-"\
\_/
100
:
ff
-f.-
O-Ac
5-5
t00 41
80
6t)
40
20
RT: 14.64 AI: I 173 KI: | 176 Linalool oxide <trans-> (pyranoicl)
C A S #: 41720- 62 -l M F : C l 0 H l 8 (t2 F W : 170 MS D LII]#:462
CN: 2H-pyran-3-ol.6-ethenyltetrahydro-2.2,6-trirncthyl-, (3R-trans)-
Synonyrrs:linalooloxide C
Sou'ce:clarkio ltren:eriflower oil ex RA Ragus<t; l2.2lTo Magnoliapurpurella.L-F .zhu
ctal.,p. 204 in AtornaticPlantsand EssentialConstituents, PeaceBook Co. Hong Kong ( 1993);
2.00(/aLavenclulaangustiJblia;| .667oClerodendnunfragrans
t20 140
75
143
RT: 14.73 AI: 1175 KI: 1178 Benzeneacetic acid, methyl ester
CAS#: l0l-41-7 MF: C9 HlO 02 FW: 150 MSD LIB#: 271
CN: benzeneacetic acid, methyl ester
Synonyms:methyl phenylacetate;methylo-toluate
Source:Pfaltz & Bauer ex H. Hills
9l
AppendixIll: MassSpecrra
241
o
rl
-\-,-"\rr-\--\o/,,1
ll
60
40
20
, ..,. 41
Appendix
lll: MassSpcctra 243
RT : 14. 82 A l l l 1 l K I: l l 8 0 S a n ta l o n e
CA S #: . 59300- .5 1 -.5M F :C l l H l 6 O F W : 164 MS D LIII#: 1396
CN: cthanone.I -(2,3-dirnethylrricyclo(2 .2.1.02,6)hept-3-yl)-
Synonyms:none
Soutce:acetylertion ol'sanclalwood oil (5491)
d
R T : 14. 84 A I : l l 7 8 K I: 118 1 N a p h th a l e n e
C A S #: 9l- 20- - l MF: ClO H8 F W : 128 MSDLIB#:91
CN: ntrplrthalenc
Synonyrns: nrothllakes.tar canrphor'
Source:SigmaChcrtr.a2.30%Pluneria rubra, p.89, in: ArolnaticPlants& EssentialConstitr.renrs,
Peacellook Co., Hong K<lng11993); |.52VaArtenrisiaatrovirens; | .007oRlntscoriarict.
4(
100
80
60
40
20
41
AppenclixIII: MassSpectra aA<
Q
RT : 14. 91 A I : ll 7 9 K I: I 1 8 2 C y me n -8 -o <p-> l
C A S #: 1197- 01 -9 MF : C l 0 H 1 4 O F W : 1-50 MS D LIB #: .548
CN: trenzencrnethanol, o,,a,4-trimctlryl-
Synonyms:8{ydroxy-p-cyntcne
Scrtrrce:Roule flertrandex H. Hills; 4. l07oAbiesholophylle,p.l l4; in: Aromatic
PIants& EssentialConstituents, PeaceBook Co., Hong Kong(1993);
3.66a/oTltyntus ntortg o l i c us; 2.00% Tr iphasi a t r ifo Ii a
r00
8()
60
40
20
r6 0
Q
RT: 14.91 AI: l 179 KI: I I 82 Merrthol <iso->
CAS#: 490-99-3 MF: ClO H20 O F-W:1.5(r MSD LIB#: 1259
CN: cyclohexanol, l
-5-nrcthyl-2-(-rlethylethyl)-,(
| a,2B,-5B)-
Synonyrns:menthol,trans-l,3,cis-1,4-
Source:Pcppennintoil, McCormick Co.
Q,".
246 Adams:EssentialOil Cornnonentsbv GC/MS
124
(.nr
40
r/
)Y,,\
Appendixlll: MassSpectra ', l1
f
RT : l- 5. 00 A I : l1 8 2 KI: I1 8 4 P i n o c a rv e o <
l ci s->
CAS#: 19889-99-7 MF: C l0 H 16 O FIM: 1.52 MSD LIB#: I 308 i
CN: bicyclo(3.1. I )heptan-3-ol, 6,6-climerhyl-2-methylcne-, ( l S-(to,3B,5n)-
Synonyms:pinen-3-ol,2(10)-,( I S,3S,.5S)-
soutce: ref'.cpd. ex E,.von Rutllotr; 1.007oCyperus st:ariosus, Proc. I lth Intl.icong. of Ess.oils,
New Defhi, lnclia4: 16| ( 1989);0.01%,Pinuspinaster;0.017o Artentisiaroxbutphiana
t00
80
60
40 -€(
20
-{y OH
248 Adarns:EssentialOil Cornoonentsbv GC/MS
100
8(
60
4A
20
R T: 1 5. 07 A I : ll83 KI:1 1 8 .5 C ry p to n e
CAS#: 500-02-1 MF: C9 Hl4 O FW: 138 MSD LIB#: l4l8
CN: 2-cyclohexen-I -one,4-( I -methylethyl)-
Synonyms:none
Source:Solidagogran,inifolia ex P. Weyerstahl 9.227oEuca.ll'ptttstorelliana,
.IEOR9: | 1 I ( 1996);8.507oEucall,ptusdealbata:8.107oEucalvptusltolltanrltrutot
0
A
RT: 15.07 AI: l183 KI: I185 Cyclopent-2-enone <5'methylene'2,3,4,4'tettamethyl'>
CAS#: 000-00-0 MF: Cl0 Hl4 O FW: l-50 MSD LIB#: 2092
CN: cycfopent-2-enone<5-methylene -2,3,4, -tetramethyl->
Synonyms:none
Source:Lavandulaluisieri oil ex Nicolas Baldovini
AppendixIII: MassSpectra 249
t00
80
60
40
20
100
60
40
A
r"'
RT: 15.12 Al: I184 KI: I186 Ethyl'(4E)-octenoate
CAS#:18989-37-4 MF: Cl0 Hl8 02 FW: 170 MSD LIB#: 688
acicl,ethylester,(E)-
CN:4-oct.enoic
Synonyms:none
Source:BedoukianRes.ex Art Tucker
-5-5
tl
,,o%
00
80
AppcndixIll: MassSpectlir 251
RT : l- 5. l9 A l: I 1 8 6 K I: I 1 8 8 B u ty l n -h e xanoate< n->
CAS#: 626-82-,1 MF: C l0 I{20 O2 l-W 112 MSI) LIB#: | 86
CN: hcxanoicacicl,l'rutylcstcr
Synonynrs: l)utylcaproate
Soulcc:distiIlcclred cleliciousapplcs
RT : 1. 5. 21 A I : I l 8 (r K I: | 1 8 8 T e rp i n e o l< o ->
CA S #:98- . s . s - .5 M F : C l 0 H IU O F W : l -54 MS D LIB #: l -5l 7
CN : 3-cyclohcxcne-| -nrcthanol,o.cr.zl-trinrelhyl-
Synonynrs: p-rnenth- l -en-8-ol
Srrurce:Urnbel.lularia colilbnrit'aoil. RP Adarns#-5.132
Q
RT : l- 5. 24 A l: 1 1 8 7 K l : l l 8 9 N l e n th a -l (7 ),8-di en-2-ol
< trans-p->
CA S #: 21391- 8 4 -4 MF : C l O H l 6 O F W: l -52 MS I) Ll l l #: l 07l
CN: cyclohcxanol.2-methylcne--5-1 l-methylethcnyl)-, trans-
Synonyrns: trans-isocarveol
Source:rcl'.cpd. ex Guy Collin
r 00
./\t/
tl OH
80
60
tl
\-/
40 :
20
252 Adams: EssentialOil Comtronentsby GC/MS
. -,^ 4 1
H2c=cH(cH2)9cH,
-,ru,"z
OH
oA
Appendix
III: MassSpectra 253
r00
80
ffio"
60 I
oEr
40
20
.d-
RT: 1-5.30 AI: I 189 KI: I 190 Prenyl angelate
C A S #: 83783- 8 2 -8 M F : C l 0 H l 6 0 2 F W: | 68 MS D LIB #: l 99l
CN: 2-butcnoicacid.2-rnethyl-,3-nrethyl-2-butcnyl ester,(22)-
Synonyrns:3-methyl-2-butenyl angelate
Soutce:BcdoukianRes.ex .l.lBrophy;0.137oArt.tlrcmis nobilis, I lth Intl. Cong.oiEss. Oils,
N c w l) elhi,I nc li a4 ;2 0 7 (1 9 8 9 )
-U-"ry
254 Adams: EssentialOil Componentsby GC/MS
l00
80
60
40
20
:
Appendixlll: MassSpectra 255
R T : l- 5. 40 A I : l l 9 l K I: l l 9 2 H e x y l b u ta noate
CAS#: 2639-63-6 MF: Cl0 H20 02 FW: 112 MSD LIB#: 73
i CN: butanoicacid, hexyl ester
Synonyrns:hexyl butyrate
Source:Aldrich Chem.
f
100
80
60
40
20
r00
80
60
40
20
.=
256 Adams: EssentialC)il Componentsby GC/MS
Y
Y"
r\
\2
=
.nr*ot
tt
tt
./\
4l o
.
Appendix III: Mass Spectra 257
128 141
40 60 100 120 140
RT: 1.5..5.5
AI: ll94 KI: 1195 Dihydro citronellol
CAS#:106-21-8 MF : C l 0 H 2 2 O F W: 1.58 MS D LIB #: 604
CN: l-octanol,3.7-dimethyl-
Synonyms: tetrahydrogeraniol; per"hydlogeraniol
Source:SCM Chems.ex H. Hills
A)
+-)
56
70
60
tr.l
80
97
100
112
120 160
f..
RT: 15.55 AI: 1194 KI: 119-5 Menthan-2-one<cis-p->
CA S #:3901- 91 -5 M F ' :C l 0 H l 8 O F W; l -54 MS D LIB #: 1073
CN: cyclohexanone,2-rnethyl--5-( I -methylethyl)-,cis-
Synonyms:carvomenthane;isocarvomenthane
Source:BedoukianRes.ex Art Tucker
55
ilt )-'
60
40
20
69 X
258 Adams: EssentialOil Cornponentsbv CC/MS
100
i
80
60
40
20
6
RT: 1 . 5. . 56A l: 119.5 KI: I1 9 .5 My rte n a l
CAS#: 564-94-3 MF: C10 Hl4 O FW: 1-50 MSD LIB#: 1125
CN: bicyclo(3.l. I )hept-2-ene-2-carboxalclehyde, 6,6-dimethyl-
Synonyms: none
Source:ret'.cpd. ex E. von Rudlofl; 21.027oLedumpalustre,p.8O,
in: AromaticPlants& EssentialConstituents, PeaceBook Co., Hong Kong(1993);
5.00VaAn themisnob ilis: 3.807oArtemisi.aalba
6
RT: 15.-57AI: ll95 <meta->
KI: I196 Anisaldehyde
CAS#:-591-31-l MF: C8 H8 02 FW: 136 MSD LIB#: 167
CN: benzaldehyde,3-methoxy-
Synonyms:3-anisaldehyde
Source:Atdrich Chem.;0.747oKaempferiagalanga(rhizome),p.103,
in: AromaticPlants& Hssential PeaceBook Co., Hong Kong(1993);
Constituents,
().587 A rtenti.si o v'altotri i
1,16,/o
i
.^ ^ 41 qi
Appendixlll: MassSpectra 261
I
a\YoH
\-/
40 60
ll
AoA(cH2)6-cH3
RT : l- 5. 64 A I : I1 9 7 K I: l 1 9 6 S a fra n a l
CAS#:ll6-26-7 MF: Cl0 H14O FW: 1-50 MSDLIB#: 1369
CN: 1,3-cyclohexadiene- y de,2,6,6-trimethyl-
| -carboxaldeh
Synonyms:salldon:safi'ani ne
of High
Soutce:rel'.cpd. ex P. Weyerstahl;60,30% Crocus satitttts,.Tourn.
Resof.Chromot.l4:771(1991):0.lUVo Narcissustazetta(absolute);0.05VaTllia cordata
t07
80
60
40
20
262 Adarns:EssentialC)ilComponents
by GC/MS
100
80
60
40
20
r00
80
60
40
20
100 120 r6 0
R T: 1 5. 66 A l: ll97 K I: 1 1 9 7 V e rb a n o l
C AS#: 94480- 83- 8 MF :C l OH l 8 O FW: 154 MS D LIB #: 1.547
CN: bicyclo(3.I . l )heptan-2-<tl, 4,6,6-trirnethyl-( I a,2a,4cr,-5a)-
Synonynrs: nonc
Source:ref'.cpcl.ex E. von Rudlofl; 1.12a/o Daucuscarota..Ind.Alirn. Ag. 108:3-57(199 1);
0 .90 7o Cinnank)mLtnl ap p eli an.unq 0 .50 a/oP i,st at:i a l erft i sc us
r0 0
80
60
40
20
Appendix
III: MassSpectra 263
40
20
4.5
100
80
60
40
2(l
r00
80
60
40
:
!
80 Y(cHrrcH3
OH
6(
40
20
A'
X
40
100
80
60
40
20
Appendixlll: MassSpectra 265
40 60 80 100 120 I
57
t00
cH3(cH2)1ocHs
80
60
40
2(
141
140
266 Adarns:EssentialOil Componerrtsby GCiMS
r00
80
60
.10
It)
+0 60
cH3(cH2)8cHo
Appendix lll: Mass Spectra
267
. ^. . 4l
"T
..$t\ o-L
t00
80
60
'+0
20
A
<p->
RT: 1.5.98AI 1204 Kl: 1205 Cymen-9-ol
CAS#:4371-.50-0 MF: Cl0 H14O FW: 1.50 MSD LIB#: 547
CN: benzencethanol.B,4-dimethyl-
Synonyms: | -ol
2-p-tolylpropan-
Source:RoureBertrandex H. Hills
+-1
100
8(
f,,
60
4t)
20
AppentlixIII: N4ass
Spectra 269
l( x) 4l
80
60 *oH
40
20
t(x)
tt0
60
A
40 \-\""
2Q
i
t ( x)
8()
6(
2't0 Adams: EssentialOil Componentsby GC/MS
o"o%
100
t^
80
6{)
10
el-"--
RT: 16.24 AI; 1210 Kl 1212 Nonadienal<(28,48)->
C AS#:- 5910- 87- 2 M F : C 9 H l 4 O F W: 1 38 MS D LtB #: l 16l
CN: 2,4-nonadienal, (E,tl)-
Synonyms:nonadienal, trans-2,trans-4-
Srrurce:AfclrichClrern.ex Art Tucker;0.257oRhuscoriaria,I)ragocoBericht3:81(1993);
0.017oJuniperuscomnturtis (leafl
tl
8( ,W
60
40
20
AppendixIII: MassSpectra 271
100
80
60
40
20
?
272 hy GC/MS
Adams:EssentialOil Comporrents
100
8r)
60
40
20
R T: 16. 39 A l 1214 K I: 1 2 1 .5 F ra g ra n o l
CAS#: 10864.5-.56-3MF: C l0 H l 8 O FW: 154 MSD LIB#: 234
CN: cyclobr.rtane ethanol, l -methyl-2-(I -methylethenyl)-,trans-
Synonyms:none
Scrurce: Artemisia ve.stitoex P. Weyerstahl|-9.10'7o Achillea willtelmsii,
p .8 -5,in: P r og.in E s s .Oi l R e s e a rc hE, .-.I'B ru n k e ,trd .,GruyterP ubl .'B erl i n(1986);
0.5| 7t Artentisia ve,stita
.A
-Fo'
R T:16. 42 A l: 1214 K l : 1 2 1 6 L i n a l o o l fo rm a te
CAS#: I 15- 99- 1 MF : C l I H l 8 0 2 FW: 182 MS D LIB #: 1009
CN: 1,6-octadien-3-ol,3,7-dinrethyl-. lr rmate
Synonyms:vetiverol
Sourcc:recd. as vetiverol from Arf Tucker, identified as Linalool formateby P. Weyerstahl;
0.447oCitnrs sinensis,JEOR7:10-5(199-5)
o-,'y'o
80
60
4()
20
AppcntlixIll: MassSpcctra z t -)
RT : l( r . 44 A I : l 2 l -5 K I: l 2 l (r C a rv e o l< trans->
CA S #: ll9l- 07-5 MF ' :C l 0 H t6 O F W : 1.52 MS D LtB #: 370
CN: 2-cyclohcxen- l -ol. 2-rncthyl--5-( l-nrethylcrhenyl)-,rrans-
Synonyrns: p-tnentha-(r.l3-d icn-2-ol.trans-
Srr111'sg' Jtttriperu,s.flnccido v. poltlatra. RP Aclarns#2578,3.70% At,ttilteamillefctlitmr,
l.F.l I l:265(1996):2.307o Fokienioltodgirr.sii:2.28%, Cltenopodinttr
antbro,sioicles
OH
ll,
Y-J--
Y
o
5e"
RT: 16.55 Al: l2l7 Kl:1219 Elsholtziaketone <u'dehydro->
CAS#: 78173- 38- 3 M F :C l 0 H 1 2 (o 2 F W :l 6 4 M SD LIB #:6-55
CN: 3-buten-l -one, 3-metlryl-I -(3-rncthyl-2-llranyl)-
Synonyrns:elsholtzione<o-clehydro->
Source:Elsholtz.iacrista7qex o. vgstrowsky,PlantaMed. 3:268(1987)
100
80
60
4t)
20
41
100
*o
8(
6t)
40
AppcndixIII: MassSpectra 275
-^
-O-Ac
v--J-
/ll
RT; 16.(12 Al: l2l9 KI: 1221 Sabinenehydrate acetate<cis->(Ac vs. Ipp)
C A S #; 17318- 4 8 -0 MF : C l 2 H 2 0 (o 2 F -W :196 MS D LtB #: -517
CN: bicyclo(3.I .0)hexan-2-ol. 2-rnethyl--5-( l -nrcthylcthyl)-,
acetate,(
lcr,2s,5o)-
Synonyms:cis-4-thujanol ac:etate
Strrrrce:Cuprel;su,s,sorgentiileaf oil ex l,atly Cool; 3.007oMa jorana hortensis.
F'FJ2:-5-5(1981): 0.09o/aCitrus bersamia
r00
80
60
40
20
%
276 Adams: EssentialOil Componentsby GC/MS
100
80
60
40
20
120
100
80 tl
,"-o/tVt} (cH2)5cH3
60
.10
20
f",
Appendixlll: MassSpectra 2'77
<Y",
VI
t00
80
60
40
20
i
I
278 Adams: EssentialOil Componentsbv GC/MS
-.,.. 4 l
60
*
l0 f-
RT: | 6.9-1 Al: 1226 Kl: 1229 Carveol <cis->
CAS#: 1197-06-4 MF: ClO Hl6 O FW: l-52 MSD LIB#: 372
CN: 2-cyclohexen- 1-ol,2-methyl--5-(| -methylethenyl)-, cis-
Synonyms:p-mcntha-6,8-dien-2-ol, cis-
Source:SCM Cherricalsex H. Hills; 5.007oAr:ltilleomillefolium,FFJ l I :265(1996);
4.9 17o Chenop odium ambr osi oidesl | .357o Cyntbop og on nnrtini
I
o*'
/\
i
Appcndixlll: Mass Spectra 279
t00 t3-5
80
60
A
20
<cis-p->
RT: 17.00 Al 1227 KI: 1230 Mentha-l(7),8-dien-2-ol
CAS#:22626-43-3 MF: Cl0 Hl6 O FW: 1.52 MSD Lll]#: 1072
2-methylene--5-(
CN: cyclohexanol, cis-
I -rrethylethenyl)-,
Synonyrns:
none
ref.cpd.ex GuyCollin
Source:
A*,
tt
\-/
i
=
:
''.(j-:(
RT: | 7.07 Al: 1229 KI: 1232 Hexenyl 2-methyl butanoate <(32\'>
CAS#: .53398-85-9 MF: Cl 1 H20 02 F.W:184 MSD LIB#: 1588
(32)-3-hexenyl
CN: butanoicacid,2-methyl-, ester
Synonyms:none
Source:Aldrich Chem.
4l
--/'-.,,-"
AppcndixllI: MassSpectra 281
A1
t00
80
(',0
40
20
100 120
100
80
60
40
20
!
I
o(cH2)scH3
\-Ar,
tl
XX
-- 43
Appendix III: Mass Spectra 283
f
r00
80
60
40
20
140 I
80
)(x"(cH2)5-cH3
6(
40
20
t20 140
100
80
60
40
Appcndixlll: MassSpectra 285
-"::-}
f
286 Adams: EssentialOil Componentsby GC/MS
^"*A
RT: 17.49 AI: 1238 KI 1242 Hexyl(2E)'butanoate
CAS#:19089-92-0 MF: ClO Hl8 02 FW: 170 MSD LtB#: 1590
CN: 2-butenoicacid,hexylester
Synonyms: crotonicacid,hexylester,hexylcrotonate
Source:Aldlich Chem.
t00
I
(Y"
X
RT: | 7.-59 Al: 1241 Kl 1244 Hexyl isovalerate
C A S #: f 0032- 1 3 -0 MF : C l l H 2 2 0 2 F W: 186 MS D LIB #:816
CN: l-rutanoic acid,3-methyl-,hexyl ester
Synonyrns: hexyl 3-methylbutanoate; hexyl isopentanoate
Source:K & K Chem.ex Art Tucker
41
o(cH2)5cH5
-n-
100
80
60
40
2{j
l
RT: 17.69 Al: 1243 Kl: 1246 Benzeneacetic acid, ethyl ester
CAS#: 101- 97- 3 M F :C l O H 1 2 o .2 F Ii l : 1 6 4 MS D LIB #: 270
CN: benzeneaceticacid, ethyl ester
Synonyms:cthyl phcnylacetate; ethyl o-toluate
Source:Aldrich Chem.
o\./
I
I
I
^l
tl
tl
\-,-
:
r00
80
60
40
20
290 Adams: EssentialOil Conrponentsby GC/MS
100
80
60
40
20
+-l
80
60
40
20
UNKNOWN
STRUCTURE
t20 t62
t20 160
Appendix
lll: MassSpectra 291
100
80
60
40
20
100
80
60
R T : 17. 85 A l: 1 2 4 7 KI: 1 2 5 0 C h a v i c o l
C A S #:. 501- 92 -8 MF: C9 Hl0 O F W: 134 MS D LIB #: 129-5.
CN: phenol,4-(2-propenyl)-
Synonynrs: 4-allyl phenol;p-allylphenol
Source:Pimentctoil, F'irmenischex AF Thorrras;21.607oPimenta recenTosa,
FocrdChem.2:19(1977);6.007o Ocintuntgratissimtrm;3.27o/o Alpinia conchigera
292 Adarns:EssentialOil Componentsby GCiMS
l00r i
tl
60
tl
40
20
100
80
60
40
20
Appendix III: Mass Spectra 293
100
80
40
20
o
ill
\2
100
A
,\
120 t40
.^ ^ 4l i
{
RT: 18.00 AI: l2-50 KI: 1254 Piperitoneepoxide<cis->(epoxidevs.f*)
CAS#:4713-37-5 MF: ClO H16OZ FW: 168 MSD LIB#: 1329 i
CN: 7-oxabicyclo(4.1.0)heptan-2-one,
6-merhyl-3-(l-methyterhyl)-,( I R,3R,6*.)-
Synonyms:none i
Source:ref-.cpd. ex P. Weyerstahl
296 Adarrs: EssentialOil Componentsbv GC/MS
100
tl
tl
tl
\.'\.
a
RT: 18.l2 AI: l2-53 KI: l2-56 Sabinenehydrate acetate<tratrs'> (Ac vs. IPP)
CAS#: 77318-47-9 MF: C12 II20 02 FW: 196 MSD LIB#: 1058
CN: bicyclo(3.1.0)hcxan-2-ol.2-rnethyl--5-( lo'2B'-5c)-
l-methylethyl)-,acetate'(
Synonyms:cis-sabinene hydrateacetate(cis lbr Me vs. IPP, old namo); ac:etate
trans-4-tlru.ianol
Source:distillationof sweetmatioram leaves, RP Aclams #-5922
O-Ac
tl
V
=
+-')
)+ \-/
RT: 18.20 AI: 1254 KI: l2-58 Phenvl ethvl acetate <2->
CAS#: 103-45-1 MF: C10H12OZ Ffil: 164 MSD LIB#: 1274
CN: aceticacid,2-phcnylether ester
Synonyrns:benzylcarbinylacetate
Source:K & K Chem.ex Art Tucker; 21.007oCoronilla enterus,
p. 57, in: Prog.in Ess.Oil Research,E.J-.Brunke,
Ed, GruyterPubl.,Berlin(1986);
7 .l6VoMinrttsopselerryi;3.38%Nercissustazetta
r00
80
60
40
20
=
298 Adams:EssentialOil Componentsby GC/MS
RT: 1 8. 21 A I : l2- 55 K I: 1 2 5 8 C a rv e n o n e
CAS#:499- 14- l M F :C l 0 H l 6 .O F W: 1 5 2 MSI) LIB#: 367
CN: 2-cyclohexen- | -one,6-nrethyl-.3-( l -methylethyl)-
Synonyrns: p-tnenth-3-en-2-one
Source:Roth Chem.ex Keith Harkiss;0.027oCrotoneluteria,FFJ 6: l93(199l)
f
RT: 18.22 AI: l2-5-5 KI: l2-58 Benzenemethanol <2-hydroxy->
CAS#:90- 01- 7 M F :C 7 H 8 ()2 ts W :1 2 4 MS I) LIB #:2006
CN: benzenemethanol, 2-hydroxy-
Synonyms:salicylalcohol;diathesin;saligcnin;saligenol;2-methylphenol
Source:Aldrioh Chern.ex.IJ Ilrophy
..... 4l
,o
Appendix
lll: MassSpectta 299
I 00
80
60
40
)o
.. 4l A1
300 Adarns:EssentialOil Cornponentsby GC/MS
100
80
60
40
20
,o
80
60
40
20
100 120 r4 0
43
t60 180
100
80
60
40
20
AppenclixIll: N4ass
Spectra 303
100
80
60
40
ry:
20
t00 120
41
t00 cH3(cH2)8cH20H
80
6(
100
80
60
40
20
',$"*^.
Appendixlll: MassSpectra 305
|00
tt0
60
.10
20
100 t20
t00
80
60
fr"'
40
20
00
A1
I
80
^
306 Adanrs:EssentialOil Cornnonentsbv GC/MS
100 z'
80
60 A
40
20 V
,'\
Appendix
lll: MassSpectra 30'l
t00
80
60
40
r00
80
60
40
20
41
100
80
60
40
I
80
6{)
-+0
20
o, =
O-Ac
4l
t00
80
60
4(i
f
RT: 19.02 Al:. 1213 Kl:: 1216 Carvone oxide <trans->
CAS#: 39903-97-4 MF: Cl0 H14 02 FW: l(16 MSD LIB#: 375 ,
CN: 7-oxabicyclo(4.1 .O)heptan-2-one
, l -rncthyl-4-(
I -rretlrylerhenyl)-,(
I S-(| a;4s,6a))-
Synonynrs: | .6-epoxyisoclihydrocarvone
Sr.rurcc:
rcl'. cpd. ex H. Hills
l0c)
80
60
40
20
310 Adarns:EssentialOil Componentsby GC/MS
\r/'4', O-Ac
t-
4l
Appendixlll: MassSpectra 3t l
I(
8t)
I
60 tl
'::U'/"",rto
Ac
40 :
=
20
-t\
t)
l
3 t2 Adarns:EssentialOil Comnonentsbv GC/MS
/-)
100
8(
60
,l
2t) to,
41
t00
80
60
40
20
Appcnclix
III: N4ass
Spcctra 3l-l
RT : 19. 2. 1 A I : 1 2 7 8 K I: 1 2 8 0 N o p o l
CA S #: 128- . 50 -7 M F :C l 1 H l 8 O F W: l 6(r MS D Ll Il #: 117-5
CN: bic:yclo(3. L l )hept-2-cnc-2-ethanol. 6.6-dirncttryl-
Synonynrs: hornomyrtenol
Sout'cc:SCM Chenrs.ex H. Hills
t00 OH
80
60 /
40
20
|0o 120
O
RT: 19.24 AI: 1278 KI: 1280 Anisylalcohol<p->
CAS#:10.5-| 3-.5 MF: C8 H l0 ()2 FW: | 38 MSD LIB#: | 7-5
CN: bcnzenemcthanol,4-rnethoxy-
S),nonynrs:
p-anisylalcohol
Soulce:AldrichClrern.
Ma-O
80 I (X)
I00
tt(
60
40
20
31,+ Adanrs:llssentialOil Componentsbv GC/MS
t00
80
60
40
20
100 Me-O,
u0
60
40
20
Y)-
r\.
\2
A pp en dixlll: Ma ssS pec t la 315
f,\
100
60
40
20
80
60
40
142 155
140
100.11
80
60 97 lll
40
20
3 t6 Adams: EssentialOil Componentshy CC/MS
43
.,1fr......\\o.Ac
Y
RT: 19.38 AI: 128| KI: 1283 Thujanol acetate<neoiso-3'>
C AS#:62181- 91- 3 MF : C l 2 H 2 0 OZ F W : 1 9 6 MS D Ll l l #: 1486
acetate'
C N:bic y c lo( 3. 1. 0) h e x a n -3 -o 1 .4 -m e th y l -l -(l -m e thyl ethyl )-, (1u' 3p' 4p' 5u)-
Synonyms:neothujanylacetate,3-
Source:acetylationol thuianolmixture(6421 )
t00
I o"
'ro,,',/\/o
V :
=
67
t2l
.nntttt\o-A.
Adams: EssentialOil Cornponentsby GC/MS
3 t8
A
Xr^"
RT: 19.46 AI: 1283 KI: 1285 Terpinen-7'al <u'>
CAS#:1197-15--5MF:ClOH14OFW:I50MSDLIB#;1339
1-carboxaldehyde,
CN: I ,3-cyclohexadiene- 4-(I -rrrethylethyl)-
Synonyms: p-rnentha-1,3-dien-7-al
Scrurce: oil ex 'T'ICSchel'fer
Poll'lophiuminvolucrcttwn
{
AppendixIII: MassSpectra 3t 9
r00 =
^\
80
-
> (\tt II
60 Y.-
40
20
RT: 19.-5
I AI: 1284 KI: I 286 Undecanol<6->
CAS#: 23708-56-7 MF: Cll H24 O FW: 172 MSD LIB#: 1996
CN:6-undecanol
Synonyms:diamyl carbinol
Source:Tokyo Kasai ex J.TBrophy
80
60
40
20
320 by GC/MS
Adams:EssentialOil Components
ff".
RT: 19.-56 Al: 128.5 Kl:1281 Safrole
CAS#:94-59-7 MF':Cl0 Hl0 ()2 FW: 162 MSDLIB#:917
CN: benzodioxole<-5-(2-propenyl)- I .3->
Synonyms:shikirnol; rhyunooil: allylcatechol ether,4-allyl-1.2-Methylenedioxybenzene;
rnethylene
Allydioxybenzene MethyleneEther;m-Allylpyrocatechin Methylenelither
Source:Jtm.ipems angosturanleai oil, RP Adams#2665;91.667oCinnamomumnilcrantlunn,
p. 29, in: AronraticPlants& Constituents, PeaceBook Co., Hong Kong(1993);
92.907oSassafrasalhi.dum;90.30% Cinrmmomumparthenoxylon
100
80
€
AppendixIII: MassSpectra 321
8t)
60
40
20
100
80
t00
80
60
40
20
Appendix lll: Mass Spectra 323
-r"N\
^c-o/-\,)
r3 6
100
80
40
20
324 Adams:EssentialOil Componentshy GC/MS
100
80
60
40
20
<2'pentyl'>
RT: 19.69 AI: 1288 Kt: 1289 Cyclopent-2-en-1-one
CAS#:25564-22-l MF:ClOHl6 o F'W:152 MSDLIB#:537
-one,2-pentyl-
CN: 2-cyclopenten-l
none
Synonynrs:
Source:BedoukianRes.ex Art Tucker
100
80
60
40
20
t
43
T
325
r00
80
b(,
40
20
OH
o
(
A
RT: 19. 76 A I : 1290 K I: 1 2 9 1 A c e ta n i s o l e< o ->
CAS#: 579-14-8 MF: C9 H10 ()2 FW: 150 MSD LIts#: 7
CN: o-rnethoxyacetophenone
Synonyms:
Source:Aldrich
Q
RT : 19. 77 A l: 1 2 9 0 KI: l 2 9 l T ri d e c e n e< l ->
CA S #: 2437- 56 -l M F -:C l 3 H 2 6 F W: 182 MS I) l -l B #: 899
CN: l-triclcccnc
Synonyrns: nonc
S<rurce: r'el'.cpcl.cx Il. von RLrcllol'l': 2.00%Pectiselongata,JITOR7:63(199-5);
0.80(ft Vitis 't'ittifera(llower)
. . . . 4l
HrC=CH(CHz)
r ocHs
|{x)
ft0
60
40
2( 59 65
fi)
I
j
68
4(
2(
128 t42
140 200
t0 0
80
f'0
40
20
100
80
60
40
20
AppendixllI: MassSpectra 329
cHJC(=oxcH2)8cHJ
,, 41
o
\l l
+,.T\il.'\o,"
<)
-330 Adams: EssentialOil Componentsby GC/MS
6(
M
100 120 140
A
\Aoo.
:
Appendix
llI: MassSpectra 331
OH
O
A
RT: 19.94 AI:1294 KI: 129-5 Phenyl ethane<1-nitro-2->
C A S #:6125- 24 -2 MF : C 8 H 9 N 0 2 F W : l .5l MS D LIII#: l 160
CN: bcnzcne,(2-nitroethyl)-
Synonyms:none
Sotrrce:An.i.biacanellial oil cx P. Richomnte
a T
o
RT: | 9.9-5 Al: 1294 K[ 1295 Thio roseoxide<trans->
CAS#:000-00-0 MF: ClO Hl8 S FW: 170 MSD LIB#: 1479
CN: not assigned
Synonyrns: none
Source:ref'.cpd.ex P. Weyerstahl
100
80
60
40
20
l
-)-)I Adams: EssentialOil Componentsbv GC/MS
f".
RT: 19.98 AI: 129.5 KI: | 295 l\{ethyl octine carbonate
C AS#: I I l- 80- 8 MF : C l O H 1 6 O Z F W; 1 6 8 MS D LIB #: 2152
CN: 2-nonynoicacid,methylester
Synonynrs: none
Source:BedoukianRes.
100 (cH2)5'cH3
80
60
40
20
100 =
:
"'Z..,rt\..n$t"
80
NI
t\ |
60 L\ )
40 :
:
:
20 /\_/\
AppendixIl[: MassSpectra
-1-fJ
t00
80
60
40
20
o
tl
80 /'\a"\
60
4(:)
ur
tn
334 Adams:EssentialOil Componentsbv GC/MS
t00
8t)
60
40
20
fov'//
RT: 20.1I AI: 1298 KI: 1298 Acetophenone <3'-methoxy'>
CAS#:586-37-8 MF: C9 HlO 02 F W : 1 .5 0 MS D LIB #: I I
CN: ethanone,I -(3-methoxyphenyl)-
Synclnyms: meta-
acetanisole,
Source:Aldrich Chem.
q"-
RT: 20.I I AI: 1298 KI: 1298 Azulene
CAS#:215-51-4 MF:ClOH8 FW; 128 MSDLIB#:262
CN: cyclopentacycloheptene
Synonyms:none
Source:Alclrich Chem.ex H. Hills; 2.J57oDendrobiumchrl'sato-turu(tlower),
p. 1I I , in: AromaticPlants& EssentialConstituents, PeaceBook Co., Hong Kong(1993);
0.917oArt emisia macrocep hala; 0.457oM i cheI i a y wtnne sis (llower)
AppcndixIll: MassSpectla 33-5
f""
RT: 20.I I AI; 1298 Kl: | 298 Pinocarvyl acetate<trans->
CA S #: l6t t 6- 1.5 -3 M F :C l 2 H 1 8 .o 2 F W :194 MS D LIB #: l 3l l
CN: bicyclo(3.I .1)heptan-3-ol, 6,6-dirnetlryl-2-nrethylene-,
ircetare,(
1a,3u,-5u)-
Synonynrs: 21I O)-pinen-3-ol, acetate.trans-
S<rurce: re[. cpd.cx E. von RucllolT;49.007oE,qletes tiscosa...IEOR4:639(| 992):
| .00% Euca I1,p tus bot ryo i d e,s'.
0.24VaA co nrs cal antus
RT : 20. l2 A I : 1 2 9 8 K t: 1 2 9 8 C a rq u e j o la cetate
CA S #:3215l- 09 -0 MF: C l2 H l6 02 trW : 192 MS I) LIB #: I 290
CN: 2-cyclohexen- | -ol, -5-rrrethylene-6-(l -mcthylcthenyl)-,
acctate.(I S-cis)-
Synonynrs: o-mentha-l(7).4.8-trien-3-ol. acetate(2R,3S)-
Scrtrrcc:Plutebeoil ex P. Weyerstahl;42.82%,Bat:clmrisporosa, FFJ 9:119(.1994);
2.107oPhoe.be Dorosa
100
82 fl
%
fJ0
60
40
20
R T: 2 0. 14 A I : 1298 KI: 1 2 9 9 C a rv a c ro l
CAS#:499-15-2 MF:Cl0 Hl4 O FIV: 1.50 MSDLIB#: 1.507
CN: 2-methyl--5-( phenol
I -rnethylethyl)
Synonyms:p-cymen-2-ol;antioxine,isothymol;2-hydroxy-p-cymene, isopropyl-o-cresol
Strurce:distilled f}om Thynte leaves,RP Adams #5426 ex Schilling; Oreganum;Marjorant;
86.337oCo r idothynrus capi tatus,.lllOR 4 :4 17(1992); 1 8.857oM aj o rana hortensis;
1 1.407oThymbra spicata
f."
100
80
60
40
20
43 .r 1
AppcndixIll: MassSpectra 33'7
.*..ttt\o_o.
HrC=CH-(CH2)s-CHO
:
j
338 Adams: lissentialOil Comrronentsbv GC/MS l
i
1cHs
cHs(cH2)1
60
40
20
<(8ZJ->
RT: 20.20 AI: 1300 KI: 1300 Undecenal
CAS#:147159-49-7MF: Cl I H20O FW: 168 MSD LIB#: 2133
(82)-
CN: 8-undecenal,
Synonyms:none
Source:BedoukianRes.
t00
80
60
40
20
t80 200
Appcndix lll: MassSpectra 339
(cH2)8-cH3
100
80
60
40
20
r00
80
60
40
20
g
340 Adams: EssentialOil Comnonentsbv GC/MS
I
RT: 20.36 AI: 1303 Kl: | 304 Cinnamyl alcohol <(E)->
CAS#: 4401-36-7 MF: C9 HlO O FW: 134 MSD LIB#:449
CN: 2-propen-l-ol, 3-phenyl-,(H)-
Synonyrns:trans-cinnamylalcohol
Source:Aldrich Chem.ex H. Hills
=
:
i
^ ^-
-/\-/"-^"
tl
tl
tl
i
Appendix III: Mass Spectra 341
a,
I
100 I
I
80
60
40
20 178
180
. ^^ 4l
cH3(cH2)ecHo
_
a
100 =
80
tl
60
40
t-
20 ,/\
A"O
Appcndixlll: MassSpectra 343
f*-
RT: 20.-59 AI: 1309 KI: 1309 Guaiacol<p-vinyl->
C A S #: 1186- 61 -0 MF: C9 Hl0 02 F W : 1.50 MS D LIB #: 1662
CN: 2-rnethoxy-4-vi nylphenol
Synonyrns: p-vinylguaiacol,plrenol<2-nrethoxy-4-vi
nyl->
Sourcg:AlclrichChern.
I 00
u0
60
40
20
100
80
60
40
l 28 140 1.50
t40
t00
80
60
40
Appendix
III: MassSpectra 345
er'T
RT: 20.68 AI: l3l I KI: 1312 Pinocarvyl acetate<cis->
CAS#: 13366-18-4 MF: Cl2 Hl8 02 Flil: 194 MSD LIB#: l3l2
CN: bicyclo(3.| . l )heptan-3-ol,6,6-dimethyl-2-methylene-,
acetate,(I o,3B,5o)-
Synonyms:none
Source:ref. cpd. ex E. von Rudloff
43
100 CHg(CH2)6o-Ac
80
60
40
20
346 Adams: EssentialOil Componentsby GC/MS
R T: 2 0. 69 A I : l3l I K I: 1 3 1 2 S e s a mo l
CAS#:533-3l-3 MF: C7 H6 03 F'W:138 MSD LIB#: 1405
CN: 1,3-benzodioxol-5-ol
Synonyms:phenol,3,4-(nrethylenedioxy)-
Source:ref. cpd. ex E. von Ruclloif
100
80
60
40
100 Hc(=o1
lsxr)7-ctt=cttcH,
80
60
40
20
10 6t)
60
40
20
4l
I 19
9l
348 Adams:EsscntialOil Componcntshy GC/MS l
RT: 20.83 AI: l3l4 KI: 1315 Cryptone< 'hydroxy'>
CAS#:39125-34-3 MF: C9 H1402 FW: 154 MSD LIB#: l42l
CN: 2-cyclohexene-| <rne,4Jrydroxy-4-(1 -mcthylethyl)-
Synonyms:2-cyclohexen- | -methylethyl)-
I -onc,4-hydroxy-4-(
Source:Solidagograninifolia oil ex P. Weyerstahl
100
80
6t)
40
20
A
V
L__o-o"
r00
A
x^"
n0
60
40
20
4l
100
8(
60
t1.4l 4l f, *,
t98
200
350 Adams: EssentialOil Componentsbv GC/MS
100
80
60
40
20
100
80
60
-+0
20
/--
d
Appendixlll: MassSpectra 351
100
80
60
40
20
100
\J \ ,o.Me
80 /\:^\
60
40
20
t00
80
60
40
20 f.-
i
u1
f\2<"Y
\ 2b
100 HO
80
60
40
20
Appendixlll: MassSpectra 353
100
80
60
40
20
H3C-(HrC)5--#
\o-"u
3.54 Adams: EssentialOil Componentshv GC/MS
A'""'Fo
60
40
20
100
ti0
60
100
8t)
60
40
20
Me-o-C(=Q)-(cH2)8-cHJ
l0-5
100
80
60
40
20
6-
j
< p->
RT:2 1 . 30 A I : 132- 5 K l :1 3 2 7 Me n th a -I,4 -d i e n -7-ol
CAS#: 22539-72-6 MF: Cl0 Hl6 O FW: 1.52 MSD LIII#: 2180
CN: 1,,1-cyclohcxadiene-l -methanol,4-(l -methylethyl)-
Synonyms:none
Source:Rh.odiolaru.raroots ex. Jan Karlsen,Norway; 0.707oHedltotisdi.ffusa,
JEOR 7:537(1995);0.387a Citms sinensis;0.19a/o Dauctrscorota
o
A
I
l2{) t40 r6 0
A*-
t00
80
60
-+0
l0 \
t40
100
80
fl)
dH
40
20 A-\"
Appendix II[: Mass Spectra 357
80
60
4(l
2(
80
6(
40
20
100
80
60
40
20
Appendix
III: MassSpectra 359
q"-
43
lt4s
80
60
40
"Yry)
20
100
oAo
80
60
40
20
360 Adams: EssentialOil Componentsby GC/MS
100
ti0
60
40
20
f
RT: 21.63 AI: 1332 Kl: 1334 Piperitol acetate<cis->
CAS#: | 12028-22-5 MF: C I 2 H20 02 FW: I 96 MSD LIB#: I 32.5
CN: 2-cyclohexen-| -ol, I
3-methyl-6-( -methylethyl)-, cis-
acetate,
Synonyms:none
Source:acetylationof cis-piperitol(6433)
r+-)
100
I
80
60
40
.>
\-/
,,rrlt\O
AC
:
r00
80
60
4(
20
137 t48
tit)
60
40
20
r00
80
60
40
20
362 Adams: EssentialOil Componentsbv GC/MS
r00
80
60
40
20
140
100
80
60
Appendix III: Mass Spectl.a
r00
80
60
40
20
9l t0-5
57
r3 3
104
j
RT:2 1 . 8- 5 A l: 1337 K l : 1 3 4 0 Ev o d o n e
CAS#: 30.5.57-66--5 MF: ClO Hl2 02 FW: 164 MSD LIB#: 702
CN : 4(-5H)-benzoluranone, 6,7-clihydro-3,6-dimethyl-
Synonyms:p-nrentha-4,8-clicn-3-one, -5,9-epoxy-
S<rurce: hrodia horten,sisoil ex .lJ Broplty; 44.007cEuodia ltorten,sis(flower),
FF.l | : t 7( 1985);25.00VoEuodia hortensi,s(lcaf); 0.80% DracoceplrclLr m kotst:ltyi
120 t.10
ff"
t00
t00
Appcndixlll: MassSpectra 365
40
6
RT:21.92 AI: 1339 KI: l34l Octanediol<2,4->
CAS#:629-41-4 MF -:C 8 H l 8 0 2 F W : 146 MS D LIB #:2008
CN: 1,8-octanediol
Synonyms:none
Source:Pl'altz& Bauer ex J.I Brophy
I
O-Ac
*
\-,
i
,,\
cq
RT:21.97 AI: 1340 Kl 1342 Dihydroisojasmone
CAS#: 13014-65-2 MF: Cl I H20 O FW: 168 MSD LIB#: 2138
2-hcxyl-
CN: cyclopentanone,
Synonyms:jasmatone
Source:BedoukianRes.
AppendixIII: MassSpectra 367
t07
r00
80
60
40
20
l0t)
.,-.ttto-O'
80
60 €
=
40
20
100
80
60
40
20
368 Adarrs:EssentialOil Comnonentsbv GC/MS
5,^"
t00
80
60
40
20
tl
ot'\'-\
ill
\/
RT: 2 2. 18 A I : 134. 5 K I: l -1 4 7 S i l p h i n e n e
CAS#: 74281- 51- 4 M F : C 1 5 H 2 4 F W :2 0 4 MS D LIB #:2167
CN: cyclopenta(c)pentalene,l .2,3,3a,4,5,-5a,6-octahydro-1
,4,4,5a-tetramethyl-,
| | R -(| a. . iaa. 5aF . 8a R + )l -
Synonyms:none
Source:Artemisia anna rcots,Vietnam ex HJ Woerdenbag
100
80
60
40
20
40 60 80 t00
_^ 59
:')-, I
370 Adams: EssentialC)il Componentsby GC/MS
10.5
r 00
80
80
60
40
20 +"-
F.T:22.41 AI: 1350 KI: 1352 Citronellylacetate
CAS#:150-84-5 MF: Cl2 H22OZ FW: 198 MSD LIB#: 1364
CN; 6-octen-1
-ol. 3.7-dimethvl-.
acetate
Svnonvms: none
Source:Rcrsecril(acetylated)ex Firmenischex AF Thomas; 64.877aTermi bentToe,
.IIIOR 6:-533(1994);44.457o
Dracaena rqflexa; 18.0O7o
Ducrosia anethifolia
4,3
100..,
f.-
69 8l
i
/t\a'\'-":J-
\)6
l0l 1j
Appendix
III: MassSpectra 373
RT: 22.-5
| AI: 1352 KI: 1355 Trimethyl benzaldehyde
<2,3,6->
CAS#:34341-29-2 MF: Cl0 Hl2 O FW: 148 MSD LIB#: 661
CN: benzafdehyde,2,3,6-trimethyl-
Synonyms: none
Source:Erygiuntfoetidumotl ex KC Wong,Malaysia
t00
80
60
40
20
100
o-Ac
..ttt
80
60
40
20
100
8t)
60
40
20
Appendix III: Mass Spectla 375
4l
1001l' 8l
80
60
40
20
40 60 80 r00
100-.,11 6s
109
758t
153
t23
60 120
.^ ^ 4I
t00 (cH2)7-cH3
376 Adanrs:EssentialOil Componentshy GC/MS
69
80
60
40
20
80
60
4{)
20
t4l 159
f00 t20 140 t60i
I
t
i
69
378 Adarrs: EssentialOil Componentsby GC/MS
r00
80
60
40
20
RT: 2-3.00 AI: 1363 KI: 1365 Methyl benzyl trutyrate <u'>
CAS#: 3.160-44-4 MF: Cl2 Hl6 02 FW: 192 MSD LIB#: 1663
CN: butanoicacid, I -phenylethylester
Synonyms:none
Source:Alclrich Chem.
Y)r-
o.
r00
80
60
40
Appendix III: Mass Spectra 379
OH
I
/\\(cH ,\B -cH 3
69 8l
r00
80
60
40
t00 ,o/V(cH2)7-cH3
80
60
40
20
cHJ(cH2)BcH(cHu)c(=o)H
126 142
60 100 120 140
A-
Y
O-Me
I
40 60 80 100 t20 140
cHs(cH2)1ooH
100
80
60
40
\7 OH
20
40 60 80 r0 0
10t)
80
60
40
2(
Appendix lll: Mass Spectra 383
t00
80
60
40
20
l 3.5
100
80
60
40
77
43 sp
100 120
8t
121
=
384 Adams:EssentialOil Componentsby GC/MS
100
80
60
40
20
180
98
40 60 t00 r60
Me-O
77
5l l 16
63 90 104
40 60 80 r00 t20
93
69 80
121
224
180 200 220
386 Adams:l'.sscntial hy CC/MS
Oil Cornportetrts
q
160
r00 !l
80
(Y>"$"\
60
40
20
t00
8(
60
40
r3 9
140
t40 160
100
80
60
40
20
q
Appcntlixlll: MassSpectra 389
l( x)
80
60
40
20
(cHrrc H3
y'.,,-/"\\y,,,,
8( tl
o
60
40
20
o
tl
-\,,/7-\.,'-\o 1cu,1o.*r.
E_
t00
80
60
4t)
t20
il
r6 0
t00
80
60
40
20
r3J13
392 Adams:EssentialOil Componentsby GC/MS
(ff
vl.tl.V
RT:2 3 . 74 A I : 1380 K I: l 3 8 l D a u c e n e
CAS#: I 6661- 00- 0 M F : C l 5 H 2 4 F W:2 0 4 MS D LIB #;363
CN: azulene,I ,2,4,-5,8,8a-hexahydro-6,8a-dinrethyl-3-( I -methylethyl)-
Synonynrs: none
Sourc.e: Carrotseedoil ex A. Chainteau, Nestle;3.507oDaucu,scarota (leaf),
Proc. 1 lth lntl. Cong.of liss. Oils, FFJ.4:173(19t19); 1.007nDatr<'uscarcta (seed)
100
80
60
10
20
t60 t80
100
8{)
60
A
A
Y
4tl
20
./o
Appendix III: Mass Spectra 393
4l
I
(cH2)4-cH3
t2 3 ' i. 1 0 ,
t49
C=
t00
80
60
40
51 59
E
391 by GC/MS
Adams:EssentialOil Components
tl
ry
v
RT:23.78 Al: 1381 KI: 1382 Ethyl2-nonynoate
CAS#:10031-92-2 MF: Cll Hl8 02 FW: 182 MSD LIB#: 662
CN: 2-nonynoic
acid,ethylester'
ethyloctinecarbonate
Synonyrns:
Source:BedoukianRes.ex Art Tucker
(cH2)5-cH3
4l
l00r r'
)\*'
40
20
(Ai =
60
40
L\
t0(
8(
60
4(
20
r 00 cHJ(cH2)s-o-c(=gxsx2)acnt
80
60
40
20
396 Adams:EssentialC)il Componentsby GC/MS
j
RT: 23.83 AI: 1382 KI: 1383 Nlodheph-2-ene
CAS#: 68269-87-4 MF:Cl5 H24 FW: 204 MSD LIII#: 64t)
CN: I H,4H-3a,6a-propanopentalene, l
-5'6-dihydrO-, 1,3,4-tetramethyl-.(3aR'4R,6aS)-
Synonynrs:modhcphene
Source:Echino;tosgiganteusoil ex P. Weyerstahl
<(32)->
RT: 23.86 AI: 1383 Kl: 1384 Hexenyl-(32)-hexenoate
CAS#: 61444-38-0 MF: Cl2 H20 02 FW: 196 MSD LIB#: 2044
CN: 3-hexenoicacid,(32)-3-hexenylester,(32)-
Synonynrs:none
Source:BedoukianRes.
69
,2, ff
Appendix III: Mass Spectra 397
'Y''6-
Ii.T:23.97 AI: 1385 KI: 1386 Myrtanol acetate <trans->
CAS#: 90934-53-5 MF; Cl2 H20 02 FW: 196 MSD LIB#: I126
CN: bicyclo(3.| .l )lieptane-2-methanol,
6,6-dimethyl-,acetate,(I S-(| o,2a,5u))-
Synonyms:uone
Source:acetylationof myrtanol (6428);
O-Ac
)=t
RT: 23.98 AI: 1385 KI: 1386 Nonalactone<6->
CAS#: 3301-94-8 MF: C9 Hl6 02 FW: 1-56 MSD LIB#: | 164
CN: 2H-pyran-2-one,6-butyltetrahydro-
Synonyms:nonan-l,-5-olicle
Scrurce:ref. cpd. ex P. Weyerstahl;0.0 | VoJasmhntntpolyanrT'rru,r,
DragocoRept. 5-2 | ( | 996)
.=
:t
I
398 by GC/MS
Adarns:EssentialOil Components -
100 120
4l
100
80
60
4{')
20
Appcndix lll: Mass Spectra 399
A"
o
RT: 24.03 AI: 1386 KI: 1388 Octenolbutanoate<(2E)->
CAS#:84642-60-4 MF: Cl2 H2202 F'W:198 MSD LIB#: 2080
CN: butanoicacid,(2E)-2-octenylester
Synonyms:none
Source:BetloukianRes.
j
\
RT: 24.04 AI: 1387 KI: 1388 Cubebene <p-> i
CAS#:13744-15-5 MF: Cl-5H24 FW: 204 MSD LIB#:468 i
CN: I H-cyclopenta(
I ,3)cyclopropa(
1,2)henzene,
octahydro-7-methyl-3-methfene-4-(
I-
(3aS-(3ao,3bB,4B,7a,7aS*))-
nrcthylethyl)-, t
Synonyms: none i
Source:Copaihaoil ex Natl.Geo.Soc.expedition;39.007a
Melissafficinalisl
FFJ3:167(1988);32.0OVo Lippiacarviodoravar.
minor;14.8O7oLippiaukampensis
-
t00
80
60
40
100
80
60
40
20
t60 180
AppendixIII: MassSpectra 401
RT: 24.09 AI: 1388 KI: 1389 Methyl decyl ketone (=2-dodecanone)
CAS#: 6175-49-l MF: Cl2 H24 O FW: 184 MSD LIB#: 2192
CN: 2-dodecanone
Synonyms:dodecanone,2-
Source:BedoukianRes.
41 o
l00r
80
i-
tl
,,n,"*r,n-.r.
60
4
20
41
l0 0 r I
100 t20
100.11
HrC=CH(CH2)1
1cn,
80
60
40
20
140 tS4 168
OFESSTNTIAL
IDENTIFICATION OILCOMPONTNTS
ByGASCH RAPHY/II,IASS
RoMAToG SPtCTRot'Jl
ETRY
4THEDITION
The lhirdedition
ofDrAdomt book presents
overyusefulcompilolion ofover
I 600mosspeclro oflerpenes,oliphoilc hydrocorbons,
eslers, oromolicsondother
compounds encounleredinnolurolproducfs
chemislry,
especiolly
fte chemistry
of
oils.Nolonlyorelhemoss
essenliol given
speclro bullhecompoundt Refenlion
Index onlhecommonly used
DB-5 glccolumnoreincluded.There ofthe
oreindices
RelenlionIndexorronged ondinRelenlion
botholphobeficolly Index moking
order,
il overyproclicol
foolforuseinnolurolproducbreseorch.I hovefound thiswork
extremely inmyworkinnolural
useful producfs
chemislry.
- J.J.Brophy, Universify
ofNew SoulhWoles.