Research Article

Characterization of Chemical Composition of Pericarpium Citri Reticulatae Volatile Oil by Comprehensive Two-Dimensional Gas Chromatography with High-Resolution Time-of-Flight Mass Spectrometry

Table 1

167 main volatile components identified in the Chenpi volatile oil.

No.Compound namePeak I/minPeak II/sVolumeLibrary formulaLibrary probabilityLibrary CAS no.

(1) Nonanal28.621.62367.153C9H18O50.1124-19-6
(2) Pyrrolizidine-3-one-5-ol, ethyl ether53.492.7453.1709C9H15NO217.70-00-0
(3) 2-Methoxy-4-vinylphenol42.382.732959.926C9H10O259.397786-61-0
(4) Styrene14.141.65731.272C8H836.4100-42-5
(5) Octanal21.381.582235.185C8H16O62.19124-13-0
(6) Ethylbenzene12.571.39484.4996C8H1064.86100-41-4
(7) Pterin-6-carboxylic acid11.240.8250.3913C7H5N5O340.94948-60-7
(8) Hexadecane, 1,1-bis(dodecyloxy)-77.271.2102.3988C40H82O29.2456554-64-4
(9) 1-Heptatriacotanol75.092.76169.2274C37H76O54.56105794-58-9
(10) Cholestan-3-ol, 2-methylene-, (3β,5α)-64.352.11268.4351C28H48O13.0922599-96-8
(11) [5,9-Dimethyl-1-(3-phenyl-oxiran-2-yl)-deca-4,8-dienylidene]-(2-phenyl-aziridin-1-yl)-amine66.42.23151.311C28H34N2O44.040-00-0
(12) 1,1′-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea]23.552.15106.0574C27H24N8O2S224.950-00-0
(13) Morphinan-4,5-epoxy-3,6-di-ol, 6-[7-nitrobenzofurazan-4-yl]amino-46.490.79105.5334C26H27N5O69.480-00-0
(14) Benzene, 1,1′-[3-(3-cyclopentylpropyl)-1,5-pentanediyl]bis-7.741.18149.2865C25H3415.1855191-62-3
(15) 2-(2-Azepan-1-yl-2-oxoethyl)-1-hydroxy-1-phenyl-octahydro-pyrido[1,2-a]azepin-4-one76.422.77142.1083C24H34N2O352.150-00-0
(16) 6,9,12,15-Docosatetraenoic acid, methyl ester59.41.7755.943C23H38O219.2817364-34-0
(17) 2-[4-Methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde53.492.1564.4497C23H32O25.570-00-0
(18) Naphthalen-2-yl-acetic acid, 6-hydroxy-6-methyl-cyclodecyl ester41.542.6365.5915C23H30O327.30-00-0
(19) Z-5-Methyl-6-heneicosen-11-one80.891.11115.1736C22H42O8.270-00-0
(20) 2H-Pyran, 2-(7-heptadecynyloxy)tetrahydro-61.451.91133.6559C22H40O214.456599-50-9
(21) Doconexent17.881.63127.9331C22H32O240.986217-54-5
(22) 9,12,15-Octadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)-31.162.22105.1463C21H36O419.7818465-99-1
(23) 8,11,14-Eicosatrienoic acid, methyl ester, (Z,Z,Z)-42.752.02216.8234C21H36O28.4221061-10-9
(24) 5,8,11-Eicosatrienoic acid, methyl ester57.592.0396.1455C21H30O243.950-00-0
(25) cis-5,8,11,14,17-Eicosapentaenoic acid24.524.2553.7632C20H30O213.9910417-94-4
(26) 5,8,11,14-Eicosatetraynoic acid58.83.17144.9613C20H24O229.781191-85-1
(27) 1,16-Cyclocorynan-17-oic acid, 19,20-didehydro-, methyl ester, (16S,19E)-12.210.6488.5548C20H22N2O253.456393-66-4
(28) Octadecane, 6-methyl-82.091.25184.9235C19H4018.4110544-96-4
(29) 2-Methyl-E,E-3,13-octadecadien-1-ol64.832.01124.0941C19H36O9.740-00-0
(30) Z,Z,Z-4,6,9-Nonadecatriene26.811.7109.996C19H3421.050-00-0
(31) 6,9,12-Octadecatrienoic acid, methyl ester55.782.9263.7153C19H32O228.522676-41-7
(32) Z,Z,Z-1,4,6,9-Nonadecatetraene21.51.865.4446C19H3214.640-00-0
(33) 12,15-Octadecadienoic acid, methyl ester49.142.35158.5734C19H30O219.3357156-95-3
(34) 10,13-Octadecadienoic acid, methyl ester50.472.47161.0184C19H30O215.4518202-24-9
(35) 2,5-Octadecadienoic acid, methyl ester59.521.99254.7258C19H30O210.1557156-91-9
(36) 2,2,4,4-Tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)-cyclohexane-1,3,5-trione70.270.4983.2401C19H20O421.980-00-0
(37) Gentamicina63.633.2162.6103C18H36N4O1027.0513291-74-2
(38) Z-10-Methyl-11-tetradecen-1-ol propionate40.33270.3719C18H34O210.530-00-0
(39) 10-Heptadecen-8-ynoic acid, methyl ester, (E)-34.182.0663.2456C18H30O214.616714-85-5
(40) α-L-Fucopyranose 1,2:3,4-bis(benzeneboronate)67.132.28180.5156C18H18B2O525.89102281-26-5
(41) 3-(O-Anisidinomethyl)-5-(3-fluorobenzylidene)-2,4-thiazolidinedione34.662.4682.9072C18H15FN2O3S9.43302954-96-7
(42) 1-Hexadecanol, 2-methyl-44.191.0365.1528C17H36O11.822490-48-4
(43) 10-Methyl-E-11-tridecen-1-ol propionate33.331.56164.2353C17H32O26.690-00-0
(44) 13-Heptadecyn-1-ol40.092.2578.5129C17H32O12.0456554-77-9
(45) 4,7,10-Hexadecatrienoic acid, methyl ester32.972.0583.5894C17H28O27.9817364-31-7
(46) Methyl 5,7-hexadecadienoate53.611.758.765C17H26O214.340-00-0
(47) 3-(5-Benzyloxy-3-methylpent-3-enyl)-2,2-dimethyloxirane35.022.6196.359C17H24O28.950-00-0
(48) Falcarinol37.071.5755.0178C17H24O35.5121852-80-2
(49) tert-Hexadecanethiol70.271.03151.5898C16H34S13.8725360-09-2
(50) n-Hexadecanoic acid79.081.74705.7247C16H32O243.0510-3-1957
(51) Cyclopentaneundecanoic acid46.491.6294.519C16H30O213.976053-49-2
(52) 9-Hexadecenoic acid65.561.9189.144C16H30O213.292091-29-4
(53) Formic acid, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester51.921.7199.1647C16H26O223.720-00-0
(54) 1,3-Dioxolane, 2-heptyl-4-phenyl-7.740.67137.1547C16H24O220.6455668-40-1
(55) Peyonine24.640.5854.9972C16H19NO527.2819717-25-0
(56) 12,14,14-Trimethyl-3,6,9-trioxapentadecan-1-ol66.521.1858.5099C15H32O416.9455489-54-8
(57) Isocalamendiol73.652.7652.3348C15H26O224.270-00-0
(58) Geranyl isovalerate53.371.0377.0183C15H26O211.72109-20-6
(59) Cubeduel63.261.88203.2965C15H26O24.80-00-0
(60) α-Cadinol63.632.07649.3081C15H26O24.36481-34-5
(61) Cubenol62.421.9408.4446C15H26O16.1721284-22-0
(62) .tau.-Cadinol63.022707.983C15H26O11.711-1-5937
(63) α-Acorenol63.632.171949.884C15H26O9.720-00-0
(64) Globulol60.131.88278.3377C15H26O6.451371-47-2
(65) 7-Epi-cis-sesquisabinene hydrate54.571.381.2625C15H26O6.40-00-0
(66) Limonen-6-ol, pivalate44.561.8578.8648C15H24O224.040-00-0
(67) Aromadendrene oxide-(2)62.782.0996.7312C15H24O15.840-00-0
(68) Caryophyllene oxide59.882161.5517C15H24O13.151139-30-6
(69) Spiro[4.5]dec-6-en-8-one, 1,7-dimethyl-4-(1-methylethyl)-38.162.2773.2272C15H24O7.0239510-36-6
(70) Humulene531.615204.711C15H2444.496753-98-6
(71) (Z,E)-α-farnesene 55.781.5231067.6C15H2442.9426560-14-5
(72) α-Copaene48.421.47508.707C15H2442.370-00-0
(73) δ-Elemene45.881.335692.139C15H2438.0120307-84-0
(74) Naphthalene, 1,2,3,5,6,8a-hexahydro- 4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-56.751.6812956.64C15H2431483-76-1
(75) 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-54.941.51196.9983C15H2429.0126560-14-5
(76) Caryophyllene50.951.543006.936C15H2417.987-44-5
(77) β-Elemene49.141.4520347.87C15H2417.11515-13-9
(78) α-Guaiene52.161.47556.5085C15H2416.6312-1-3691
(79) Cyclohexane, 1-ethenyl-1-methyl-2,4-bis (1-methylethenyl)-52.761.23160.6527C15H2416.42110823-68-2
(80) 1,6-Cyclodecadiene, 1-Methyl-5-methylene-8-(1-methylethyl)-, [S-(E,E)]-54.451.6514112C15H2415.2523986-74-5
(81) γ-Elemene51.681.51742.7373C15H2415.1429873-99-2
(82) Naphthalene, 1,2,3,4,4a,7- hexahydro-1,6-dimethyl-4-(1-methylethyl)-57.351.71200.7951C15H2414.5516728-99-7
(83) Cyclohexane, 1-ethenyl-1-methyl- 2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-48.661.47549.6758C15H2410.66515-13-9
(84) β-Copaene54.451.55561.4817C15H2410.530-00-0
(85) γ-Elemene58.81.821698.139C15H248.3129873-99-2
(86) β-Guaiene57.591.7560.1417C15H247.1688-84-6
(87) Guaia-1(10),11-diene54.821.671093.799C15H246.60-00-0
(88) Isoledene54.211.58405.0377C15H246.270-00-0
(89) 4,5-Di-epi-aristolochene47.811.4390.0937C15H244.20-00-0
(90) trans-calamenene56.511.8584.299C15H2238.350-00-0
(91) β-Vatirenene73.652.34437.4147C15H2225.710-00-0
(92) 4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane72.682.32284.3733C15H2211.2879718-83-5
(93) 7-Hydroxy-6,9a-dimethyl-3-methylene-decahydro-azuleno[4,5-b]furan-2,9-dione75.213.6161.6952C15H20O411.610-00-0
(94) Propanoic acid, 3-(2,3,6-trimethyl- 1,4-dioxaspiro[4.4]non-7-yl)-, methyl ester33.932.784.8793C14H24O419.920-00-0
(95) 2,5-Furandione, 3-(2-decenyl)dihydro-40.332.76154.1135C14H22O311.3862568-81-4
(96) trans-(2-Decenyl)succinic anhydride72.081.667.8793C14H22O310.3981949-64-6
(97) 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-77.510.570.9573C14H22O27.132444-28-2
(98) Tetraacetyl-d-xylonic nitrile58.321.62100.275C14H17NO918.480-00-0
(99) α-Ionol30.192.18277.9312C13H22O15.1625312-34-9
(100)1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one oxime73.280.555.2116C13H21N3O38.780-00-0
(101) 1b,5,5,6a-Tetramethyl-octahydro-1-oxa-cyclopropa[a]inden-6-one33.211.89138.6104C13H20O26.450-00-0
(102) Pyrimidin-2-one, 4-[N-methylureido]-1-[4-methylaminocarbonyloxymethyl68.940.3854.3663C13H19N5O523.120-00-0
(103) 2H-Indeno[1,2-b]furan-2-one, 3,3a,4,5,6,7,8,8b-octahydro-8,8-dimethyl55.31.93203.2335C13H18O228.930-00-0
(104) Dodecanal49.261.581282.104C12H24O6.6112-54-9
(105) 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-46.371.743059.872C12H20O237.64141-12-8
(106) Geranyl acetate47.451.793772.587C12H20O228.7105-87-3
(107) (R)-Lavandulyl acetate46.372.2581.7472C12H20O214.190-00-0
(108) Geranyl vinyl ether36.831.7776.0262C12H20O14.310-00-0
(109) 3′-Hydroxyquinalbarbitone39.611.551.4505C12H18N2O410.72839-21-4
(110) Non-1-yn-5-en-9-aldehyde, 4-carbethoxy-44.312.11115.1319C12H16O317.870-00-0
(111) Undecanal42.751.59704.5031C11H22O33.86112-44-7
(112) Cyclohexane, 2-ethenyl-1,1-dimethyl-3-methylene-30.311.34135.2002C11H1823.8395452-08-7
(113) Cyclohexene, 2-ethenyl-1,3,3-trimethyl-42.022.22591.2578C11H1814.365293-90-3
(114) Acetic acid, octyl ester36.471.49323.6557C10H20O217.84112-14-1
(115) Decanal35.741.617031.098C10H20O61.62112-31-2
(116) Cephrol37.551.66328.2375C10H20O12.3440607-48-5
(117) Linalol28.741.523645.373C10H18O81.5978-70-6
(118) α-Terpineol34.91.897440.985C10H18O67.7598-55-5
(119) Terpinen-4-ol34.181.793293.372C10H18O50.03562-74-3
(120) Citronellal32.121.69615.3934C10H18O42.59106-23-0
(121) 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-30.311.67159.2231C10H18O39.1129803-82-5
(122) Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, cis-31.641.8726.8632C10H18O10.597299-41-4
(123) 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S-cis)-36.111.85101.2405C10H18O10.53536-30-1
(124) exo-2,7,7-trimethylbicyclo[2.2.1]heptan-2-ol32.971.89169.9902C10H18O8.150-00-0
(125) 5-Hepten-1-ol, 2-ethenyl-6-methyl-45.761.68397.1537C10H18O7.7518479-48-6
(126) Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, [1S-(1α,3β,6α)]-45.761.58368.8305C10H189.722778-68-9
(127) Desulphosinigrin66.641.0673.3518C10H17NO6S8.925115-81-1
(128) R-Limonene39.372.7397.0311C10H16O340.370-00-0
(129) Limonene oxide, trans-31.281.78570.8168C10H16O54.244959-35-7
(130) Limonene oxide, cis-30.921.781068.476C10H16O40.4313837-75-7
(131) trans-p-Mentha-2,8-dienol30.071.78448.7691C10H16O34.350-00-0
(132) 3-Cyclohexene-1-acetaldehyde, α,4-dimethyl-36.352.09181.7561C10H16O31.3829548-14-9
(133) cis-p-Mentha-1(7),8-dien-2-ol37.432.05398.5489C10H16O26.420-00-0
(134) (Z)-Carveol35.51.97452.2402C10H16O25.481197-06-4
(135) trans-Carveol36.7121591.657C10H16O22.661197-07-5
(136) cis-p-Mentha-1(7),8-dien-2-ol33.931.91336.4337C10H16O21.50-00-0
(137) 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-35.621.89195.9113C10H16O20.76536-59-4
(138) p-Mentha-1(7),8(10)-dien-9-ol49.142.021162.984C10H16O20.1229548-13-8
(139) cis-p-Mentha-2,8-dien-1-ol43.471.9199.0278C10H16O7.833886-78-0
(140) 2,6-Dimethyl-3,5,7-octatriene-2-ol, E,E-31.881.98187.0291C10H16O7.60-00-0
(141) (S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanol35.381.89172.7702C10H16O5.8618457-55-1
(142) Bicyclo[3.1.0]hex-2-ene, 4-methyl-1-(1-methylethyl)-17.41.117918.412C10H1665.0428634-89-1
(143) β-Pinene20.661.3119964.34C10H1640.8127-91-3
(144) β-Ocimene25.481.344519.345C10H1637.5613877-91-3
(145) α-Phellandrene22.471.322085.008C10H1633.4299-83-2
(146) β-Myrcene21.51.2769260.99C10H1631.3123-35-3
(147) α-Pinene17.881.1648376.96C10H1623.8280-56-8
(148) Camphene18.851.22406.4708C10H1619.9379-92-5
(149) β-Phellandrene20.291.274173.575C10H1619.68555-10-2
(150) D-Limonene24.521.691784450C10H1619.595989-27-5
(151) α-Terpinene23.431.334905.547C10H1617.5899-86-5
(152) Isoterpinene28.381.4614607.02C10H1616.01586-62-9
(153) γ-Terpinene26.331.5189808.1C10H1615.2899-85-4
(154) 1,5,5-Trimethyl-6-methylene-cyclohexene26.331.86305.9981C10H169.81514-95-4
(155) Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-24.523.3151.7426C10H169.585989-54-8
(156) γ-Pyronene23.071.2760.3834C10H165.33514-95-4
(157) 5-Isopropenyl-2-methylcyclopent-1-enecarboxaldehyde36.112.3711.2013C10H14O34.310-00-0
(158) (-)-Carvone37.82.35909.8454C10H14O32.766485-40-1
(159) 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-39.852.431404.104C10H14O31.762111-75-3
(160) 3,5-Heptadienal, 2-ethylidene-6-methyl-36.952.28238.0085C10H14O28.2899172-18-6
(161) Benzenemethanol, α,α,4-trimethyl-34.052.28288.3869C10H14O16.591197-01-9
(162) Cyclohexanone, 2-(2-butynyl)-42.383.1859.1028C10H14O15.0254166-48-2
(163) D-Verbenone41.422.16475.2141C10H14O11.6318309-32-5
(164) 3,5-Heptadienal, 2-ethylidene-6-methyl-36.112.5184.88C10H14O8.9799172-18-6
(165) o-Cymene23.551.5535991.09C10H1447.51527-84-4
(166) 2,6-Dimethyl-1,3,5,7-octatetraene, E,E-31.641.71164.8089C10H1420.19460-01-5
(167) Benzene, 1-methyl-4-(1-methylethenyl)-27.91.8271.6784C10H1220.421195-32-0