Appendix tt: Mags Spectra a RT: 22.33 AL 1345 Kl IMS Cubebene CASH: 17699-[4-8 ME: CIS H24 FW: 204 MSD LIB#: 826 CN: [H-cyclopenta( |. 3ieyelopropa(.2yhenzene. 34,3h4.5,6.7-hexahydro 4-(1-methylethyl)-, 3aS-(3a03hB 4B.707aS")- Synonyms: none Source: Hymenaed oil ex Jean Langenheim #5439: 22.50% Hereratheca inuloides. EEE [1:49(1996): 8.00% Cedrela odorata: 7.10% Piper eubeha dimethyl los 161 . {0 19 80: 60: 40 60 80° 100 7 RO HO 160-180" 200 RT: 22.38 Al: 1349 KI: 1352 Thymol acetate CAS#: 528-790 ME:CI2 1602 FW: 192 MSD LIB CN: phenol, S-methyl-2-( -methylethyl)- acetate Synonyms: none Source: acetylation of oregano oil($430) 227 100: O-ke 40 60 80 do "ho "do t60 "180" 200 RT: 22.41 Al: 1350. KI: 1352 Citronellyl acetate CAS#: 150-845 MF:C12H2202 FW: 198 MSD LIB#: 1364 CN: G-octen-I-ol, 3,7-dimethyl-, acetate Synonyms: none Source: Rose oil (acetylated) ex Firmenisch ex AF Thomas; (4.87% Terminalia bents JEOR 6:533(1994); 44.45% Dracaena reflexa; 18.00% Ducrosia anethifolia 100- “a ‘OnAe 40 60 80 10 © 0" 40 "160 "80 7 200372 ‘Adams: Essential Oil Components by GC/MS 241 Al: 1350. Kt: 1352 Longipinene CAS#: 5989-408-2 MP: CIS H24 FW: 204 MSI) LIB: 1032 EN: trieyelo($.4.0.02,8)unde. .6.6,9-tetramethyl-, stereoisomer Synonyms: none Source: Fluka Chem; 1.34% Santolina chamaeeyparissus, Dragoco Repl. 39:151(1992); 0.90% Pinus sibirica: 0.65% Schinus lentiscifolius a) 100: « 80: 60: 40: 20 4 4" 680 1D 00160 IKO 200 RT: 22.47 Ak 1351 KU: 1354 Phenyl ethyl propanoate <2-> CASH: 122-70-3 ME:CILHI402 FW:178 MSD LiB#: 1280 CN: propanoie acid. 2-phenytethyt ester Synonyms: benzylearbinyl propionate Source: Aldrich Chem. ex H. Hills; 0.12% Michelia alba, p.14; in: Aromatic Plants & Essential Constituents, Peace Book Co., Hong Kong(1993); 0.01% Pelargonium graveolens; 0.01% Spartiun junceum 100, “4 ' ~ ov: s7 40: sf 6 7 oF ao oo #0 100 120 140 160 180 248 AL 1351 Ki 1354 Ethyl nerolate 20-4 ME:CI2H2002 FW: 196 MSD LIB#: 670 CN: 2,6-octadienoie acid, 3.7-dimethyl-, ethyl ester (7)- Synonyms: ethy! (Z)-geranale Source: Bedoukian Res. ex Art Tucker 10054! ° 80: 2 ov: g100 128 ao. oo 80 100 "130" 140" 160" 180" 200Appendix tl: Mass Spectra RT: 22.51 Al 1352. KI: 1355. Trimethyl benzaldehyde <2.3,6-> CAS#: H341-29-2 MF:CIOHI20. FW: 148 MSD LIB#: 661 CN: henzaldehyde, 2.3,6-trimethy!- Synonyms: none Source: Erygiunr foetidum oil ex KC Wong, Malaysia too 80 40 60 80 100 10 0 RT: 22.57 Al: 1353. Kl: 1356. Butyl butyryl lactate CAS#: 7492-70. ME: CILH2004 FW:216 MSD LIB#: 2184 CN: butanoie acid, 2-butoxy-1-methyl-2-oxoethyl ester Synonyms: lactic acid. butyl ester, butyrate ‘Source: Bedoukian Re: 1 1s 133 43161172 1gg fo 6 § 100 10 10 160 180 200 220 RT: 22.64 Al: 1355. Kl: 1358 Damascone <(Z)-a-> CAS#: 57540-93-6 ME:CI3H200 EW: 192 MSD LIBA: CN: 2-huten-I-one, 1-(2,6,6-trimethyl-2-cyclohexen-t-yl)>, > Synonyms: none Source: Firmenisch ex Jian-Qin Cu, Kunming “9 © 100. 2 80- a 260 4043) »| v2 40 60 80. 100" Bo" to 7 460" 180” 200374 ‘Adams: Essential Oi Components by GC/MS RT: 22.65. Al 1355. Ki: 1358 Hydroxybenzaldehyde <4-> CASH: 123.08-0 MISC711602— FW: 122, MSD LIBit: 1594 CN: benzaldehyde, 4-hydrosys Synonyms: p-formylphenol, benzaldehyde, p-hydroxy- Source: Aldrich Chem; 8.50% Vanilla fragrans, Int, Flav. Food Addit, 7:272(1976) 100. a 80. 6s u. 40: 98 20 so H I! ao oo eo 100 0 140 RT:22.69 Al: 1356 KI: 1359 Dihydro carveol acetate CASH: 256832-36-2 MI C12 120 02 196 MSD LIB#: 599 CN: cyclohexanol, 2-methylS-(I-methylethyl)-, acetate, (1R,25,5R)- Syntonyms: none urce: ref, cpu. ex K, von Rudlolt 40 oo 80 0" 0 "140" 160 "1D 200 RT: 22.70 Ak 1356 Kl: 1359 Eugenol CASH: 97-53-0 ME: CIO HI202 FW: 164 MSD LIB#: 1095 CN: methoxy-4-(2-propenylyphenyl <2-> Synonyms: 4-allylguaiacol Source: K & K Chem. ex IL Hills; 95.00% Eugenia caryophyllus (leat), Parfum Cosmet, Aromes. 89:81( 1989); 92.50% Eugenia caryophyllus (stem); 87.00% Pimenta dioica 100. 164 on so o-Me ow 40 20, 40 0. 80 100 120 140 160 180Appendix Il: Mass Specie 378 RT: 22.73 Al 1357 Kl: 1360 Nepetalactone CASH: 21651-62-7 ME: CIOHI402— FW: 166 MSD LIBE: 1134 CN: cylcopenta(epyran-I(-4aH)-one, 5.6,7.7a-tetrahydro-4,7-dinwthyl-4aS-(4aa,7a.7aw))- Synonyms: nepetalactone, cis. trans Source: Nepeta eaesarea oil ex Husnu Baser 1005"! si 4 9} 9s 7 a $8 0 0 30 i 0 0 JT Al: 1357 Ki: 1360. Mentha-8-thiol-3-one CAS#: 33284.96-7 ME:CIOHISOS FW: 186 MSD LIB#: 1636 CN: cyclohexanone, 2-(1-mereapto-I-methylethyl)-S-methyl-, cis- Synonyms: none Source: Aldrich Chem. 5 10074 6 80 60 5 0 20 4 6 8% 10 0 10 10 180 200 RT: 22.74 Al 1387 Kl: 1360 Undecenal <(26)> CAS#: 53448.07-0 ME:CIH200 FW: 168 MSD LIB#: 2130 CN: 2eundecenal, (28)- Synonyms: none Source: Bedoukian Res.; $.60% Coriandrum sativum (leat) J. Ag. Food Chem. 38:2084(1990); 4.80% Coriandrum sativum (plant); 0.20% Sideritis condensata 10054! 9. E (ccs Neo 80 60 40 20 40 oo 80 100 10 10 160 180376 ‘Adams: Essential Oil Components by GC/MS. RT: 22.77 Ak 1358. KI: 1360 Silphiperfol-d,7(14)-diene CAS#: 210637-49-3. ME:CISH22. FW: 202 MSD LIBA: 638 CN: eyelopenta(e)pentalene a .6-trimethy Synonyms: silphiperfol-4,7(14}-diene in Weyerstaht et al., Eur. J. Org. Chem, 1998, 1205-1212. Source: Eehinops gigamteus var. lelyi, Weyerstahl et al. J. Org. Chem., 1205-1212(1998) . las 100: 159 80; ou: 40 20. i é 47 "80-7 100” 120° 140 * 160" 180 * 200 RT:22.78 Al: 1358 KI: 1361 Nonalactone CASH: 104-61-0 ME:COHI602— FW: 156. MSD LIB#: 1163 CN: 2(311)-furanone, dihdyro-5-pentyl- Synonyms: apricolin; cocos aldehyde: prunolide Source: Plaltz & Bauer ex Art Tucker; 1.00% Palianthes tuherasa, SHOR 6:653(1994);, 0.25% Zicyphus jujurba fruit, 0.09% Osmanthus fragrans, 100 6 " “ooo ow. 40 204 41 56 128138 4 60) 80 100 120 140 160 2.80 Al 1359 Ki: 1361 Decenoiec acid <9-> . 14436-32-9 MI: CIOIII8 2 FW: 170 MSD LIB#: 2070 CN: 9-dlecenvie acid 5 nyms: caproleic acid jource: Bedoukian Res, 5 ” | ° ANAT hk 80 a ‘oH 60 40 20 40 oo 80. 100 120 140 160 180Appendis It: Mass Spectr a77 RT: 22.81 AL 1359 KI. 1361 Neryl acetate CASH: LH1-12-8 ME: C12 H2002 FW: 196 MSD LIB#: 996 CN: 2,6-octadien-1-of, 3.7-dimethyl-. acetate, (Z)= Synonyms: agrol acetate Source: Lemon oil, Lorann Oils: 15.80% Alpinia chinensis. p. 333. in: Flay, & Fi A World Peryp.. Lawrence etal, (eds.), Proe, [th Int. Cong. Ess. Oils. 7.50% Cymbopogon citratus: TAL Cirrus limon i cevier. Amsterdam 1988); 0 Oe ~~) 40 60. 80 tao "30 0” 160 Tko "200 RT: 22.83 Al: 1359 Kl: 1362 Hydroxy citronetlol CAS#: 107-744 ME: C10 H2202 FW: 174 MSD LIB#: CN: 1.7-octane -alimethyl- Synonyms: 2.6-dimnethyl-2.8-0ctanediol Source: K & K Chem, ex H. Hills 100- » 80: 60: 40- oH oH 20 1a 40 60 80 100 120 10 160 180 RT: 22.89 AL 1361 Kl: 1364 Damascenone <(Z)-B-> CAS#: $9739-63-8 MF:CI3HI8O_— FW: 190 MSD LIB#: 551 CN: 2-huten-I-one, 1-(2,6.6-trimethyl-1 3-cyclohexadien-| Synonyms: none Source: Firmenisch ex Jian-Qin Cu, Kunming 100: 6 133.142 40 "160 180" 200 40 60 80 100" 120sential Oil Components by GC/MS. a8 RT: 22.90 AL 1361 Ki: 1363 Undecenol <10-> CASH: 112-43-6 ME:CI1H220 EW: 170 MSD LIB#: 2074 CN: 10-undecen-[-o Synonyms: none Source: Bedoukii Won ZOO" 80: Res. 6 40: 20. 40 oo 80 100 120 140 160 180 RT: 22.93 Ab L361 KU1364 Anisaldehyde CAS#: 2186-92-7 ME: CIO 14.03 FW: 182. MSD LIB#: 1929 CN: benzene, 14dimethoxymethyl)-4-methoxy= Synonyms: none Source: Bedoukian Res, 5 oie 10. nm 80- ‘ome 60. 40 135 * 7 108 182 40 an 80 io" 0" 40160 RO” 200 RT:23.00 Al: 1363. KI: 1365 Methyl benzyl butyrate CASH: 3460-444 ME CI2H16.02 FW: 192 MSD LIB#: 1663 CN: butanoie acid, {-phenytethyt ester Synonyms: none Source: Aldrich Cher 100 10s yu 80; 6 40 2». 40 0 80 100 "120" 140" 160" 180" 200Appendix I: Mass Spectra me RT: 23.02 Al: 1364 Kt: 1366 Decanoie acid CASH: 3448-5 | MF: CIOH2002. FW: 172 MSD LIB#: 2041 CN: decanoie acid Synonyms: caprie acid: eaprinie acid Source: Bedoukian Res. 100 80 An. Hy do 60 80 100 10 10 160 180 RT: 23.05 Ak 1364. Kl: 1367 Mentholactone CAS#: 68330-68-7 MF:CIOHI1802 FW: 170 MSD LIB#: 1078 CN: 2-oxepanone, 4-methyl-7-(I-methylethy!)-, (AR, cis)- Synonyms: none Source: ref. epd. ex P, Weyerstahl 10054) @ & 80 60: 40) 20 40 60 80 100 120 Ho 160 180 RT: 23.08 Ak 1365 Kl: 1367 Carvyl acetate CAS#: 1205-42-1 MF: CIZHI8 02 FW: 194 MSD LIB#: 369 ‘ ol, 2-methyl-5~(-methylethenyl}-, acetate, cis- Synonyms: p-mentha-6,8-dien-2-ol. acetate, cis- Source: SCM Chem. ex H. Hills: 2.00% Mentha spicata, Perf. Flav. 5:6(1980); 0.87% Abies emesti; 0.50% Cistus ladaniferus 100- 43 80: 60: 40: 20: Onte 40 60 80 to 120 10” 160” «180200380 Adams: Essential Oil Components by GC/MS RT: 23,08 Al: 1365 Kl: 1367. Undecenol <(2E)-> CAS#: 75039-84-8 ME: CLI F220 FW: 170 MSD LIBa: 2084 CN: 2-undecen-|-ol, (25) Synonyms: none Source: Bedouki ST 100 Ho SZ otros 80: oo4at 40. 20; 40 60. 80 100 120 140 160 180 RT: 23.10 Ab 1365. Kl: 1368 Undecanal <2-methyl-> CAS#: 1041-8 MP:CIZH240 EW: 184 MSD LIBA: 1524 CN: undecanal, 2-methyl- Synonyms: none Source: Pfaltz. & Bauer ex Art Tucker 58 10 CH3(CH,)gCH(CHs)C(=0)H 80 oo 404 43 x | 7 126142 40, on 80 100 120, 140 160 180 200 RT: 23.11 Al: 1366 Kl: 1368 Hydrocinnamyl acetate CASH: 122-72-5 ME:CULHI402 W178 MSD LIBA: 445 CN: henzenepropanol, acetate Synonyms: 3-phenylpropyl acetate Source: Cinnamon leat oil, Great American Herb Co, loo: 17 one #0: 60 40: 0 Lg 169179 120 ido 160 180 40 60. 80 100Appendiv Ill: Mass Spectra 381 RT: 23.12 Al: 1366 KI: 1368 Piperitenone oxide CAS#: 3578-55-23 ME-CIOHIS02 FW: 166 MSD LIB# 1063 CN: T-osahicyelot4. .Ojheptan-2-one, G-methyl-3-(L-methytethylidene)- wonynis: p-menth-4(8)-en-3-one. 1.2-epoxy- Source: Mentha verticitfara oil ex M. Mattei. aly 7.43% Mentha longifolia, FEI 223 1988): 75.83% Mentha suaveolens: 37.25% Mentha spicata 100 9 0441 9 138 60: 40. ‘0 20: 40 60 80 100 120 io 160 180 RT:23.15 Al 1366 KI: 1369 Eugenol CAS#:2785-87-7 — ME:CIOHI402 FW: 166 MSD LIB#: 697 CN: phenol, 2-methoxy-4-propyl- Synonyms: 4-propylguaiacol: cerulignol; coerulignol Source: ref. epd. ex E. von Rudloff oH 10: one 80 60: 40 0 80 re) 140" 160 180 RT:23.16 Al: 1367 Kl: 1369 Furfuryl hexanoate CAS#: 39252-02-3MF:CIIHI603 FW: 196 MSD LIBA: CN: hexanoie acid, 2-furanylmethyl ester Synonyms: none Source: Aldrich Chem, 100: 40 60. 80 100 "130 Ho" 160" 180" 200382 ‘Adams: Essential Oil Components by GC/MS RT: 23.19 Al: 1367 Kl: 1370. Undecanol CAS#: 1242-5 ME:CHIH2400 EW: 172 MSD LIB#: 28 CN: F-undecanot Synonyms: hendeeanol Source: rel. epd. ex E, von Rudloff 4 100 ss (CH3(CH2)4 90H 80 « “il | . 40 7 2 M136 154 — 14, 4 & a a a nT RT:23.23 AL 1368 KI: 1370 Oreinol CAS#: 504-154 MF:C7H802— FW: 124 MSD LIB#: 1226 CN: LJ-henvenediol, S-methy!- Synonyms: resorcine, S-methyt- Source: ref. cpd. ex E, von Rudloff 100 4 80 60: 40 on 0 40 60 80 100 120 140 3.25 Al: 1369 KI: 1371 Cyclosativene CASH: 22469-52-9 ME:CISH2$ EW: 204 MSD LIB#: 540 EN: 1,2.4-metheno- [H-indene, actaliydro-{,7atimethyt-S-({-methylethyl)- (1S-(14.20.30f.4u.54,7aP.8S*))- Synonyms: none Source: rel, epd. ex Larry Cook: 0.79% Phoebe porosa, FEI 9:179(1994); 0.53% Croton eluteria 100- (05 80: 60 40. 40, oo so 7 100 7 Bo" do "160 "180" 200Appendix Il: Mass Spectra " RT: 23.32 Ak 1370 Kt 1372 Carvacrot acetate CAS#: 6380-28-5 ME: C12 HIG02— FW: 192. MSI LIBS: 365 CN; phenol, 2-methyt-s-(-methylethyt)-, acetare Synonymy: carvaeryl acetate Source: ret. epd. ex Guy Collin 100 Onke 80: 60 40 20- ‘ 192 40 oo so to "207 0 160180 200) RT: 23.33 AL 1371 KE 1373. Methyl p-anisate CAS#: 121-98-2 ME: C9 M1003) FW: 166 MSD LIBA: 1433 CN: benzoic acid. 4-methoxy-, methyl ester Synonyms: 4-(methoxycarhonyljanisole Star anis seed oil ex Jian-Qin Cu ° 100: Ws onMe 40 6 80 100 120 Ho 160 180 RT: 23.35 Al 1371 KI: 1373 Mentholactone CAS#: 133267-37-5 MF:CIOHI802 FW: 170 MSD LIBH: 1079 CN: octanvic acid, 6-hydroxy-3-methyl-7-methyl-.cpsiton.-lactone, trans~ Synonyms: none Source: ref. epd. ex Weyerstahl 1009, : a LL 40 60) 80. 100 10 io 160 180384 Adams: Essential Oil Components by GC/MS, RT: 23.36 Al: 1371 Kl: 1373 Mentha-8-thiol-3-one CAS#: 35117-85-2, ME: CIOHI8OS FW: 186 MSD LIB#: 1637 CN: cyclohexanone, 2+ -mereapto-I-methylethy)-S-methyl-, (2S-trans-) Synonyms: none Source: Aldrich Chem, 40 60 80. 00° 1200 140160180200 RT: 23.37 Ak 1371 Kt: 1374 Longicyetene CAS#: 1137-12-8 MP: CIS H24 FW: 204 MSD LIBA: 1026 CN: 1,2,4-methenoazulene, deeahydro-1,5,5,8a-tetramethyl-1S-(14,2a,3ap.4a,8aB,9R*))- Synonyms: none Sourve: Fluka Chem. 0.65% Chamaecyparisus obtusa, J. Ag. Biol. Chem, 45:1497(1981); 01.42% Phoebe porasa: 0.07% Augelica archangelica 004! of 80. oo 40 Ist » 7 40 6 80 oo" 10° 140" 160 RT: 23.37 AL 1371 Ki: 1374 Menth-6-en-2,8-diol CAS#: 42370-41-2 MI: CIONI802— FW:170 MSD LIB CN: 3-cyclohexene-1-methanol, 5-hydroxy-aa.4-trimethyl(1R,5S)- Synonyms: soberol, trans-: trans-6-hydroxy-q-terpineol Source: Aldrich Chem, ex JJ Brophy 59 ' oH 100- 109 Ke a 80: 2009 60. 40 20 40 60 80 100 120 ao 160 180