Use: Gas Chromatography (GC)
Use: Compound identification and verification, MS2 transitions, retention time acquisition, in-house digital library, method development
Suitable for: GCMS, GC-MS/MS, GC-QTOF, GC-FID
Suitable for: Single quadrupole MS, triple quadrupole MS (QQQ), QTOF, Orbitrap
Suitable for: Human metabolomics, plant metabolomics, foodomics, food analysis, volatilomics (VOC analysis), cannabis and vape analysis, wine and beer analysis, coffee and juice analysis, aroma and fragrance analysis, aroma profiling
Applications:
GC/FID - GCxGC /FID
-Find the retention time of the molecules after changing the method
-Find the retention time of molecules after changing the column
-Use the standards to make calibration curves for quantification
GCMS - GCxGC MS (single quad)
-Find the retention time of molecules after changing the method
-Add the compounds to your in-house library for enhanced compound search/identification with RT and M/z value
GC-MS/MS (triple quad)
-Acquire and optimize the transition ions for each molecule using your instrument specific settings
-Use the standards to make calibration curves for quantification
GCMS (QTOF)
-Use the standards to make calibration curves for quantification
-Add the compounds to your in-house library for enhanced search with RT and M/z value
MetaSci’s Library of Standard Mix for GCMS is includes a series of standard mixtures of a collection of organic volatile molecules (VOC) that are mostly sought after for identification and quantification. The unique composition of the library includes terpenes, fatty acids methyl esters (FAMES), fatty acid ethyl esters (FAEtEs), fatty alcohols, underivatized normal chain fatty acids, furans, benzyls and cinnamyl alcohols, n-ketones, n-aldehydes, benzaldehydes, phenols, phenones, aromatic volatiles, lactones, etc. The library is made up of 46 mixes filled and sealed in glass microampules that are compatible with 9-425 autosampler vials. All mixes are made in acetone (Except Fatty volatile Molecules in dichlorometane) in 1.0 mM concentration. The mixes are designed to have no isobaric interference for maximum confidence in identification, and therefore, each mix typically contains only 8-12 molecules, the retention of which is spread across the chromatogram for the highest resolution. Since there is no two molecules with the same molecular formula in any of the mixes, even a low resolution MS can identify each peak with confidence. The CoA and additional methods for the library is provided through our dedicated online system. The user can also use the QR code on each microampule to access the specification of the mix.
Our library of mixture of standards is provided in patented SnapGo microampules which contains 0.2mL of standards solution. Each mix is provided in three copies, meaning that the user will receive 3 microampule of 600uL for each mix. This allows the user to use the first solution mix, while keeping the other two microampules intact for future and avoiding waste of material after opening the glass ampule. Microampules fit inside 9-425 vials and if your autosampler can accept 9-425 vials (standard 2mL vials) the microampules are compatible with your system. If youare using a plate based autosampler we can provide pplate adapter.
You can use this product for GC-FID. Since FID can not identify the molecules by their mass or structure, you can follow our methods provided in the CoA for idntification of each peak. The mixtures are designed to fullyresolve on J&W HP-5ms Ultra Inert GC Column, 30 m, 0.25 mm, 0.25 µm column.
A series of C8-C24 alkanes are included in the library to help with system performance check and Retention Index (RI) verification.
The 9-425 autosampler vials are not included with the product. You can use either glass or plastic vials which would work as a support container for microampules.
Library of Standard Mixtures for GCMS
List of compounds
1. (-)-Isopulegol (HMDB0036078, CAS 89-79-2, FEMA 2962)
2. (-)-β-Pinene (HMDB0036559, CAS 18172-67-3, FEMA 2903)
3. (-)-Fenchone (PUBCHEMCID82229, CAS 7787-20-4, FEMA 4519)
4. Linalyl acetate (HMDB0039522, CAS 115-95-7, FEMA 2636)
5. (S)-(−)-β-Citronellol (HMDB0035094, CAS 7540-51-4, FEMA 2309)
6. Citronellyl acetate (HMDB0034844, CAS 150-84-5, FEMA 2311)
7. Guaiazulene (HMDB0036648, CAS 489-84-9)
8. Parthenolide (PUBCHEMCID6473881, CAS 20554-84-1)
9. Nerol (HMDB0005812, CAS 106-25-2, FEMA 2770)
10. (R)-(+)-Limonene (HMDB0003375, CAS 5989-27-5, FEMA 2633)
11. (+)-Camphor (HMDB0059838, CAS 464-49-3, FEMA 2230)
12. (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone (PUBCHEMCID87571219, CAS 24047-72-1)
13. Tetrahydrolinalool (HMDB0035246, CAS 78-69-3, FEMA 3060)
14. Camphorquinone (HMDB0025208, CAS 10373-78-1)
15. Santonin (PUBCHEMCID221071, CAS 481-06-1)
16. Isoamyl alcohol (HMDB0006007, CAS 123-51-3, FEMA 2057)
17. (+)-β-Citronellene (PUBCHEMCID10887985, CAS 10281-55-7)
18. L-Menthone (HMDB0035162, CAS 14073-97-3, FEMA 2667)
19. (1S)-(+)-3-Carene (HMDB0035619, CAS 498-15-7, FEMA 3821)
20. Bornyl acetate (HMDB0040397, CAS 76-49-3, FEMA 2159)
21. Methyl Jasmonate (mixture of isomers) (HMDB0036583, CAS 39924-52-2, FEMA 3410)
22. Linalyl propionat (HMDB0030425, CAS 144-39-8, FEMA 2645)
23. Sclareolide (HMDB0035293, CAS 564-20-5, FEMA 3794)
24. (+)-Fenchol (HMDB0034932, CAS 2217-02-9, FEMA 2480)
25. (S)-(−)-Limonene (HMDB0004321, CAS 5989-54-8)
26. (-)-Myrtenol (HMDB0035100, CAS 19894-97-4, FEMA 3439)
27. Piperitone (mixture of enantiomers, predominantly (R)-(-)-form) (HMDB0034975, CAS 89-81-6, FEMA 2910)
28. Terpin Monohydrate (HMDB0035595, CAS 2451-01-6)
29. Linalyl Butyrate (HMDB0030427, CAS 78-36-4, FEMA 2639)
30. (S)-(-)-Citronellal (HMDB0035842, CAS 5949-05-3, FEMA 2307)
31. (+)-α-Pinene (HMDB0006525, CAS 7785-70-8, FEMA 2902)
32. (+)-β-Citronellol (HMDB0035093, CAS 1117-61-9, FEMA 2309)
33. Hinokitiol (HMDB0035213, CAS 499-44-5)
34. α-Damascone (HMDB0036027, CAS 43052-87-5, FEMA 3659)
35. p-Cymene (HMDB0005805, CAS 99-87-6, FEMA 2356)
36. Geranyl linalool (mixture of isomers) (PUBCHEMCID71317439, CAS 1113-21-9)
37. β-Homocyclocitral (HMDB0032540, CAS 472-66-2, FEMA 3474)
38. Eucalyptol (HMDB0004472, CAS 470-82-6, FEMA 2465)
39. (±)-Camphene (HMDB0059839, CAS 79-92-5, FEMA 2229)
40. (R)-(+)-Pulegone (HMDB0035604, CAS 89-82-7, FEMA 2963)
41. (±)-Menthol (HMDB0003352, CAS 89-78-1, FEMA 2665)
42. L-Menthyl acetate (HMDB0041264, CAS 2623-23-6, FEMA 2668)
43. trans-β-Farnesene (HMDB0062763, CAS 18794-84-8, FEMA 4971)
44. (+)-Nootkatone (HMDB0013687, CAS 4674-50-4, FEMA 3166)
45. Sclareol (HMDB0036827, CAS 515-03-7, FEMA 4502)
46. Isoprenyl alcohol (HMDB0039779, CAS 115-18-4)
47. Isoprenol (HMDB0030126, CAS 763-32-6)
48. (±)-Isoborneol (HMDB0035819, CAS 124-76-5, FEMA 2158)
49. Terpinolene (HMDB0036994, CAS 586-62-9, FEMA 3046)
50. (+)-(S)-Carvone (HMDB0004487, CAS 2244-16-8, FEMA 2250)
51. β-Ionone (HMDB0036565, CAS 79-77-6, FEMA 2595)
52. β-Caryophyllene (HMDB0036792, CAS 87-44-5, FEMA 2252)
53. (+)-Borneol (HMDB0035818, CAS 464-43-7)
54. γ-Terpinene (HMDB0005806, CAS 99-85-4, FEMA 3559)
55. L-(-)-Carvone (HMDB0035089, CAS 6485-40-1, FEMA 2249)
56. Isobornyl acetate (PUBCHEMCID247573, CAS 125-12-2, FEMA 2160)
57. Tetrahydrogeraniol (HMDB0035411, CAS 106-21-8, FEMA 2391)
58. Geranyl Tiglate (HMDB0032292, CAS 7785-33-3, FEMA 4044)
59. Methyl-3,3-dimethyl acrylate (PUBCHEMCID87561129, CAS 924-50-5)
60. Squalene (HMDB0000256, CAS 111-02-4)
61. Linalool (HMDB0036100, CAS 78-70-6, FEMA 2635)
62. α-Terpinene (HMDB0036995, CAS 99-86-5, FEMA 3558)
63. (S)-(-)-Perillyl alcohol (HMDB0003634, CAS 18457-55-1)
64. Phytol (HMDB0002019, CAS 7541-49-3, FEMA 4196)
65. Prenol (HMDB0030124, CAS 556-82-1, FEMA 3647)
66. Terpinen-4-ol (HMDB0035833, CAS 562-74-3, FEMA 2248)
67. trans-Nerolidol (HMDB0035662, CAS 40716-66-3)
68. 1R,2R,3S,5R)-(-)-Pinanediol (PUBCHEMCID6553875, CAS 22422-34-0)
69. (−)-Caryophyllene oxide (PUBCHEMCID1742210, CAS 1139-30-6, FEMA 4085)
70. Verbenol (PUBCHEMCID87839, CAS 18881-04-4, FEMA 3594)
71. cis-β-Ocimene (HMDB0030089, CAS 13877-91-3, FEMA 3539)
72. trans-β-Ocimene (HMDB0030089, CAS 3779-61-1, FEMA 3539)
73. α-Terpineol (HMDB0004043, CAS 10482-56-1)
74. Neryl acetate (PUBCHEMCID1549025, CAS 141-12-8, FEMA 2773)
75. α-Humulene (HMDB0036467, CAS 6753-98-6)
76. (+)-Cedrol (PUBCHEMCID65575, CAS 77-53-2, FEMA 4503)
77. (−)-α-Bisabolol (HMDB0036197, CAS 23089-26-1, FEMA 4666)
78. Isophytol (PUBCHEMCID10453, CAS 505-32-8)
79. 1,4-Cineole (HMDB0036096, CAS 470-67-7, FEMA 3658)
80. Dihydrolinalool (PUBCHEMCID86749, CAS 18479-51-1)
81. (-)-Verbenone (PUBCHEMCID92874, CAS 1196-01-6)
82. Geranyl acetate (HMDB0035157, CAS 105-87-3, FEMA 2509)
83. (+)-δ-Cadinene (PUBCHEMCID441005, CAS 483-76-1, FEMA 4967)
84. trans,trans-Farnesol (HMDB0004305, CAS 106-28-5)
85. Thymoquinon (HMDB0034732, CAS 490-91-5)
86. (-)-Perillaldehyde (HMDB0003647, CAS 18031-40-8)
87. Linalool oxide (mixture of isomers, undetermined) (HMDB0040727, CAS 60047-17-8)
88. (1S,2S,3R,5S)-(+)-2,3-Pinanediol (PUBCHEMCID125307629, CAS 18680-27-8)
89. α-Angelicalactone (PUBCHEMCID11559, CAS 591-12-8)
90. (1R)-(−)-Myrtenal (HMDB0035250, CAS 18486-69-6)
91. Safranal (HMDB0036061, CAS 116-26-7)
92. Tiglic aldehyde (HMDB0031512, CAS 497-03-0)
93. β-Myrcene (mixture of isomers, undetermined) (HMDB0038169, CAS )
94. Carveol (mixture of isomers, undetermined) (HMDB0036083, CAS 99-48-9)
95. 4-Methyl-2-pentanone (HMDB0002939, CAS 108-10-1)
96. 1-Butanol (HMDB0004327, CAS 71-36-3, FEMA 2178)
97. 1-Pentanol (HMDB0013036, CAS 71-41-0, FEMA 2056)
98. 1-Hexanol (HMDB0012971, CAS 111-27-3, FEMA 2567)
99. 1-Heptanol (HMDB0031479, CAS 111-70-6, FEMA 2548)
100. 1-Octanol (HMDB0001183, CAS 111-87-5, FEMA 2800)
101. 1-Nonanol (HMDB0031265, CAS 143-08-8, FEMA 2789)
102. 1-Decanol (HMDB0011624, CAS 112-30-1, FEMA 2365)
103. 1-Undecanol (HMDB0013113, CAS 112-42-5, FEMA 3097)
104. 1-Dodecanol (HMDB0011626, CAS 112-53-8, FEMA 2617)
105. 1-Tridecanol (PUBCHEMCID8207, CAS 112-70-9)
106. 1-Tetradecanol (HMDB0011638, CAS 112-72-1)
107. 1-Pentadecanol (PUBCHEMCID12397, CAS 629-76-5)
108. 1-Hexadecanol (HMDB0003424, CAS 36653-82-4, FEMA 2554)
109. 1-Heptadecanol (PUBCHEMCID15076, CAS 1454-85-9)
110. 1-octadecanol(Stearyl alcohol) (HMDB0002350, CAS 112-92-5)
111. 1-Nonadecanol (PUBCHEMCID80281, CAS 1454-84-8)
112. 1-Eicosanol (PUBCHEMCID12404, CAS 629-96-9)
113. Ethyl Propionate (C3) (HMDB0030058, CAS 105-37-3, FEMA 2456)
114. Ethyl butyrate (C4) (HMDB0033889, CAS 105-54-4, FEMA 2427)
115. Ethyl pentanoate (C5) (HMDB0040297, CAS 539-82-2, FEMA 2462)
116. Ethyl hexanoate (C6) (HMDB0040209, CAS 123-66-0, FEMA 2439)
117. Ethyl heptanoate (C7) (HMDB0000798, CAS 106-30-9, FEMA 2437)
118. Ethyl n-caprylate (C8) (HMDB0040195, CAS 106-32-1, FEMA 2449)
119. Ethyl nonanoate (C9) (HMDB0040193, CAS 123-29-5, FEMA 2447)
120. Ethyl decanoate (C10) (HMDB0030998, CAS 110-38-3, FEMA 2432)List of compounds (continued)
121. Ethyl undecanoate (C11) (HMDB0029552, CAS 627-90-7, FEMA 3492)
122. Ethyl dodecanoate (C12) (HMDB0033788, CAS 106-33-2, FEMA 2441)
123. Ethyl Tridecanoate (C13) (PUBCHEMCID119908, CAS 28267-29-0)
124. Ethyl tetradecanoate (C14) (HMDB0034153, CAS 124-06-1, FEMA 2445)
125. Ethyl Pentadecanoate (C15) (PUBCHEMCID38762, CAS 41114-00-5)
126. Ethyl palmitate (C16) (HMDB0029811, CAS 628-97-7, FEMA 2451)
127. Ethyl Heptadecanoate (C17) (PUBCHEMCID26397, CAS 14010-23-2)
128. Ethyl Stearate (C18) (HMDB0034156, CAS 111-61-5, FEMA 3490)
129. Ethyl Nonadecanoate (C19) (PUBCHEMCID29008, CAS 18281-04-4)
130. Ethyl Arachidate (C20) (HMDB0062725, CAS 18281-05-5)
131. Methyl butyrate (C4) (HMDB0033890, CAS 623-42-7, FEMA 2693)
132. Methyl pentanoate (C5) (HMDB0031207, CAS 624-24-8, FEMA 2752)
133. Methyl hexanoate (C6) (HMDB0035238, CAS 106-70-7, FEMA 2708)
134. Methyl heptanoate (C7) (HMDB0031478, CAS 106-73-0, FEMA 2705)
135. Methyl octanoate (C8) (HMDB0031291, CAS 111-11-5, FEMA 2728)
136. Methyl nonanoate (C9) (HMDB0031264, CAS 1731-84-6, FEMA 2724)
137. Methyl decanoate (C10) (HMDB0033848, CAS 110-42-9)
138. Methyl undecanoate (C11) (PUBCHEMCID15607, CAS 1731-86-8)
139. Methyl dodecanoate (C12) (Lauric aicd dodecanoate, HMDB0031018, CAS 111-82-0,
140. Methyl tridecanoate (C13) (Tridecanoic Acid methyl ester, PUBCHEMCID15608, CAS
141. Methyl tetradecanoate (C14) (Methyl tetradecanoate, HMDB0030469, CAS 124-10-7,
142. Methyl pentadecanoate (C15) (Pentadecanoic acid methyl ester, PUBCHEMCID26722,
143. Methyl palmitate (C16) (Palmitic acid methyl ester, HMDB0061859, CAS 112-39-0)
144. Methyl heptadecanoate (C17) (Heptadecanoic acid methyl ester, PUBCHEMCID15609,
145. Methyl octadecanoate(C18) (Stearic acid methyl ester, HMDB0034154, CAS 112-61-
146. Methyl nonadecanoate (C19) (Nonadecanoic acid methyl ester, PUBCHEMCID15610, C
147. Methyl eicosanote(C20) (Arachidic acid methyl ester, PUBCHEMCID14389738, CAS 1
148. 2-Butanone (C4) (PUBCHEMCID6569, CAS 78-93-3, FEMA 2170)(C4)
149. 2-Pentanone (C5) (HMDB0034235, CAS 107-87-9, FEMA 2842)(C5)
150. 2-Hexanone (C6) (HMDB0005842, CAS 591-78-6)(C6)
151. 2-Heptanone (C7) (HMDB0003671, CAS 110-43-0, FEMA 2544)(C7)
152. 2-Octanone (C8) (HMDB0031294, CAS 111-13-7, FEMA 2802)(C8)
153. 2-Nonanone (C9) (HMDB0031266, CAS 821-55-6, FEMA 2785)(C9)
154. 2-Decanone (C10) (HMDB0031409, CAS 693-54-9, FEMA 4271)(C10)
155. 2-Undecanone (C11) (HMDB0033713, CAS 112-12-9, FEMA 3093)(C11)
156. 2-Dodecanone (C12) (HMDB0031019, CAS 6175-49-1)(C12)
157. 2-Butanal (C4) (Butyraldehyde, HMDB0003543, CAS 123-72-8, FEMA 123-72-8)
158. 2-Pentanal (C5) (Valeraldehyde, HMDB0031206, CAS 110-62-3, FEMA 110-62-3)
159. 2-Hexanal (C6) (Hexanal, HMDB0005994, CAS 66-25-1, FEMA 66-25-1)
160. 2-Heptanal (C7) (Heptanal, HMDB0031475, CAS 111-71-7, FEMA 111-71-7)
161. 2-Octanal (C8) (Octyl aldehyde (Octanal), HMDB0001140, CAS 124-13-0, FEMA 124-
162. 2-Nonanal (C9) (Nonanaldehyde, HMDB0059835, CAS 124-19-6, FEMA 124-19-6)
163. 2-Decanal (C10) (Decyl aldehyde, HMDB0011623, CAS 112-31-2, FEMA 112-31-2)
164. 2-Undecanal (C11) (Undecyl aldehyde, HMDB0030941, CAS 112-44-7, FEMA 112-44-7)
165. 2-Dodecanal (C12) (Lauryl aldehyde, HMDB0033933, CAS 112-54-9, FEMA 112-54-9)
166. 1-Methoxy-2-methylbenzene (HMDB0032074, CAS 578-58-5, FEMA 2680)
167. 2'-Hydroxyacetophenone (HMDB0032568, CAS 118-93-4, FEMA 3548)
168. 4-Acetyltoluene (HMDB0032608, CAS 122-00-9, FEMA 2677)
169. 2',4'-Dimethylacetophenone (HMDB0032140, CAS 89-74-7, FEMA 2387)
170. 2-Methoxyacetophenone (HMDB0032569, CAS 579-74-8, FEMA 4163)
171. 2,6-Dimethoxyphenol (HMDB0034158, CAS 91-10-1)
172. 4-Acetylresorcinol+C15+C1640 (2',4'-Dihydroxyacetophenone) (HMDB0029657, CAS 89-84-9)
173. Anisole (HMDB0033895, CAS 100-66-3, FEMA 2097)
174. Catechol (HMDB0000957, CAS 120-80-9)
175. 4-Allylanisole (HMDB0034121, CAS 140-67-0, FEMA 2411)
176. 4-n-propylphenol (HMDB0032625, CAS 645-56-7, FEMA 3649)
177. Carvacrol (HMDB0035770, CAS 499-75-2)
178. 1,3,5-Trimethoxybenzene (HMDB0059963, CAS 621-23-8)
179. Acetovanillone (4′-Hydroxy-3′-methoxyacetophenone) (PUBCHEMCID2214, CAS 498-02-2)
180. Vanitrope (PUBCHEMCID5354280, CAS 94-86-0, FEMA 2922)
181. Asarone (HMDB0031469, CAS 2883-98-9)
182. m-Cresol (HMDB0002048, CAS 108-39-4, FEMA 3530)
183. 4-Ethylphenol (HMDB0029306, CAS 123-07-9, FEMA 3156)
184. 4-Methylguaiacol (HMDB0032136, CAS 93-51-6, FEMA 2671)
185. Ethyl salicylate (HMDB0029817, CAS 118-61-6, FEMA 2458)
186. 4-Methoxyacetophenone (HMDB0032570, CAS 100-06-1, FEMA 2005)
187. Piceol (4-Hydroxyacetophenone, HMDB0007469, CAS 99-93-4, FEMA 4330)
188. Elemicin (PUBCHEMCID10248, CAS 487-11-6)
189. Ethyl vanillate (PUBCHEMCID12038, CAS 617-05-0)
190. 4-Methylanisole (HMDB0032076, CAS 104-93-8, FEMA 2681)
191. P-Cresol (HMDB0002048, CAS 106-44-5, FEMA 2337)
192. n-Butyl phenyl ether (PUBCHEMCID14311, CAS 1126-79-0)
193. Hydroquinone (HMDB0002434, CAS 123-31-9)
194. 4-Ethoxyphenol (PUBCHEMCID12150, CAS 622-62-8, FEMA 3695)
195. Eugenol (HMDB0005809, CAS 97-53-0, FEMA 2467)
196. 3-Hydroxyacetophenone (PUBCHEMCID8487, CAS 121-71-1)
197. 3,5-Dimethoxyphenol (HMDB0059966, CAS 500-99-2)
198. Methyl 4-methoxyphenylpropionate (PUBCHEMCID300018, CAS 15823-04-8)
199. o-Cresol (HMDB0002055, CAS 95-48-7, FEMA 3480)
200. 1,3-Dimethoxybenzene (PUBCHEMCID9025, CAS 151-10-0, FEMA 2385)
201. 2-Isopropylphenol (PUBCHEMCID6943, CAS 88-69-7, FEMA 3461)
202. Resorcinol (HMDB0032037, CAS 108-46-3, FEMA 3589)
203. trans-Anethole (HMDB0030837, CAS 104-46-1)
204. O-Eugenol (PUBCHEMCID347577, CAS 579-60-2, FEMA 4490)
205. 1,2,4-Trimethoxybenzene (PUBCHEMCID67284, CAS 135-77-3)
206. 2',6'-Dihydroxyacetophenone (HMDB0029660, CAS 699-83-2)
207. Phenyl acetate (HMDB0040733, CAS 122-79-2, FEMA 3958)
208. 2,5-Dimethylphenol (PUBCHEMCID7267, CAS 95-87-4, FEMA 3595)
209. 1,4-Dimethoxybenzene (PUBCHEMCID9016, CAS 150-78-7, FEMA 2387)
210. p-Propyl anisole (PUBCHEMCID7702, CAS 104-45-0, FEMA 2930)List of compounds (continued)
211. 4'-Methylpropiophenone (PUBCHEMCID21429, CAS 5337-93-9)
212. 1,2,3-Trimethoxybenzene (PUBCHEMCID12642, CAS 634-36-6)
213. Salicylamide (HMDB0015687, CAS 65-45-2)
214. 3',4'-Dihydroxyacetophenone (4-Acetocatechol) (HMDB0029661, CAS 1197-09-7)
215. Propoxybenzene (PUBCHEMCID12155, CAS 622-85-5)
216. Isocreosol (2-Methoxy-5-methylphenol (5-methyl guaiacol)) (PUBCHEMCID14519, CAS 1195-09-1)
217. 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone (Zingerone, HMDB0032590, CAS 122-48-5)
218. 4-Methylcatechol (HMDB0000873, CAS 452-86-8)
219. Dihydroeugenol (HMDB0032135, CAS 2785-87-7, FEMA 3598)
220. 4-Propionylanisole (4'-Methoxypropiophenone) (PUBCHEMCID67144, CAS 121-97-1)
221. Magnolol (PUBCHEMCID72300, CAS 528-43-8)
222. Eugenol acetate (PUBCHEMCID7136, CAS 93-28-7, FEMA 2469)
223. Phenol (HMDB0000228, CAS 108-95-2, FEMA 3223)
224. 1-Ethyl-4-methoxybenzene (PUBCHEMCID73690, CAS 1515-95-3)
225. 3,4-Dimethylphenol (PUBCHEMCID7249, CAS 95-65-8, FEMA 3596)
226. Honokiol (PUBCHEMCID72303, CAS 35354-74-6)
227. 3-Methoxyphenylacetone (PUBCHEMCID76410, CAS 3027-13-2)
228. Methyl 4-methoxyphenylacetate (PUBCHEMCID90266, CAS 23786-14-3)
229. 2',5'-Dihydroxyacetophenone (HMDB0032629, CAS 490-78-8)
230. Vanillyl butyl ether (PUBCHEMCID5084146, CAS 82654-98-6, FEMA 3796)
231. Acetylphloroglucinol (HMDB0029644, CAS 480-66-0)
232. 2,6-Dimethylphenol (PUBCHEMCID11335, CAS 576-26-1, FEMA 3249)
233. Isobutyrophenone (PUBCHEMCID69144, CAS 611-70-1)
234. 2,3,6-Trimethylphenol (PUBCHEMCID17016, CAS 2416-94-6, FEMA 3963)
235. Thymol (HMDB0001878, CAS 89-83-8, FEMA 3066)
236. 4'-Isopropylacetophenone (HMDB0032025, CAS 645-13-6, FEMA 2927)
237. Xanthoxylin (4, 6-Dimethoxy-2-hydroxyacetophenone) (HMDB0029645, CAS 90-24-4)
238. Musk ketone (1-Acetyl-4-(tert-butyl)-2,6-dimethyl-3,5-dinitrobenzene) (HMDB0031865, CAS 81-14-1)
239. Phenetole (Ethoxybenzene) (PUBCHEMCID7674, CAS 103-73-1)
240. 2-Ethoxyphenol (Catechol monoethyl ether) (PUBCHEMCID66755, CAS 94-71-3)
241. 1-Phenyl-1,2-propanedione (HMDB0035243, CAS 579-07-7, FEMA 3226)
242. 2-Allylphenol (PUBCHEMCID15624, CAS 1745-81-9)
243. 2-Propylphenol (PUBCHEMCID12570, CAS 644-35-9, FEMA 3522)
244. 4-tert-Butylphenol (HMDB0032063, CAS 98-54-4, FEMA 3918)
245. Pyrogallol (1,2,3-Trihydroxybenzene) (HMDB0013674, CAS 87-66-1)
246. Methyl vanillate (HMDB0240266, CAS 3943-74-6)
247. 2,3-Dimethylphenol (2,3-Xylenol) (HMDB0032148, CAS 526-75-0)
248. 2,4,6-Trimethylphenol (PUBCHEMCID10698, CAS 527-60-6, FEMA 4329)
249. Thymol methyl ether (HMDB0035989, CAS 1076-56-8, FEMA 3436)
250. 4-Ethylguaiacol (HMDB0040175, CAS 2785-89-9, FEMA 2436)
251. 2-Phenylphenol (PUBCHEMCID7017, CAS 90-43-7, FEMA 3959)
252. Phloroglucinol (1,3,5-Trihydroxybenzene) (HMDB0013675, CAS 108-73-6)
253. 2,6-Dimethoxy-4-methylphenol (4-Methylsyringol) (HMDB0029680, CAS 1730647)
254. Guaiacol (HMDB0001398, CAS 32994)
255. 4-(4-Hydroxyphenyl)-2-butanone (Raspberry ketone, HMDB0033723, CAS 5471-51-2)
256. 4-(4-Methoxyphenyl)-2-butanone (PUBCHEMCID61007, CAS 104-20-1)
257. 4-Methoxyphenylacetone (PUBCHEMCID31231, CAS 122-84-9)
258. Methyl salicylate (Wintergreen oil, HMDB0034172, CAS 119-36-8)
259. Acetophenone (HMDB0033910, CAS 98-86-2, FEMA 2009)
260. Propiophenone (PUBCHEMCID7148, CAS 93-55-0, FEMA 3469)
261. Butyrophenone (PUBCHEMCID10315, CAS 495-40-9)
262. Valerophenone (HMDB0031208, CAS 1009-14-9)
263. Hexanophenone (PUBCHEMCID70337, CAS 942-92-7)
264. Heptanophenone (PUBCHEMCID74282, CAS 1671-75-6)
265. Octanophenone (1-Phenyloctan-1-one) (PUBCHEMCID74291, CAS 1674-37-9)
266. Nonanophenone (PUBCHEMCID80108, CAS 6008-36-2)
267. N-Decanophenone (PUBCHEMCID80148, CAS 6048-82-4)
268. Undecanophenone (PUBCHEMCID78167, CAS 4433-30-1)
269. Dodecanophenone (PUBCHEMCID74292, CAS 1674-38-0)
270. 2,5-Dimethylfuran (HMDB0033182, CAS 625-86-5, FEMA 4106)
271. 2-Propylfuran (HMDB0040277, CAS 4229-91-8)
272. Furfuryl alcohol (HMDB0013742, CAS 98-00-0, FEMA 2491)
273. 2-Butylfuran (HMDB0040272, CAS 4466-24-4, FEMA 4081)
274. Methyl 2-furoate (HMDB0029750, CAS 611-13-2, FEMA 2703)
275. Furfuryl propionate (HMDB0037728, CAS 623-19-8, FEMA 3346)
276. γ-Hexanolactone (HMDB0003843, CAS 695-06-7, FEMA 2556)
277. 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one (HMDB0031306, CAS 28664-35-9, FEMA 3634)
278. Furfuryl isopropyl sulfide (HMDB0036181, CAS 1883-78-9, FEMA 3161)
279. γ-Octanolactone (HMDB0035422, CAS 104-50-7, FEMA 2796)
280. 2-Ethylfuran (HMDB0040587, CAS 3208-16-0, FEMA 3673)
281. 2-(Ethoxymethyl)furan (HMDB0040445, CAS 6270-56-0, FEMA 4114)
282. 2-Methyl-3-(methylthio)furan (HMDB0032915, CAS 63012-97-5, FEMA 3949)
283. 2-Pentylfuran (HMDB0013824, CAS 3777-69-3, FEMA 3317)
284. 4-Methoxy-2,5-dimethyl-3(2H)-furanone (HMDB0034230, CAS 4077-47-8, FEMA 3664)
285. 1-Furfurylpyrrole (HMDB0030204, CAS 1438-94-4, FEMA 3284)
286. γ-Nonanolactone (HMDB0031531, CAS 104-61-0, FEMA 2781)
287. Difurfurylsulfide (HMDB0041503, CAS 13678-67-6, FEMA 3238)
288. γ-Undecalactone (HMDB0036784, CAS 104-67-6, FEMA 3091)
289. γ-Dodecalactone (HMDB0031683, CAS 2305-05-7, FEMA 3091)
290. 2-Methylfuran (HMDB0013749, CAS 534-22-5, FEMA 4179)
291. Furfural (HMDB0032914, CAS 98-01-1, FEMA 2489)
292. 5-Methylfurfural (HMDB0033002, CAS 620-02-0, FEMA 2702)
293. Furfuryl methyl sulfide (HMDB0032916, CAS 1438-91-1, FEMA 3160)
294. δ-Hexalactone (HMDB0000453, CAS 823-22-3, FEMA 3167)
295. S-Furfuryl thioacetate (HMDB0035088, CAS 13678-68-7, FEMA 3162)
296. 5-(Hydroxymethyl)furfural (HMDB0034355, CAS 67-47-0)
297. δ-Octanolactone (HMDB0038310, CAS 698-76-0, FEMA 3214)
298. γ-Decalactone (HMDB0037217, CAS 706-14-9, FEMA 2360)
299. 2(5H)-Furanone (HMDB0032330, CAS 497-23-4, FEMA 4138)
300. 2-Methyl tetrahydro-3-furanone (HMDB0031178, CAS 3188-00-9, FEMA 3373)
301. 2-Acetylfuran (HMDB0033127, CAS 1192-62-7, FEMA 3163)
302. 2,5-Dimethyl-2,3-dihydrofuran-3-one (HMDB0032233, CAS 14400-67-0, FEMA 4101)
303. Furan-2-ylmethyl acetate (HMDB0034246, CAS 623-17-6, FEMA 2490)
304. 2-Acetyl-5-methylfuran (HMDB0035226, CAS 1193-79-9, FEMA 3609)
305. 5-Dimethyl-4-hydroxy-3(2H)-furanone (HMDB0040594, CAS 3658-77-3, FEMA 3174)
306. Propyl 2-Furancarboxylate (HMDB0037724, CAS 615-10-1, FEMA 2946)
307. 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone (HMDB0033551, CAS 698-10-2, FEMA 3153)
308. Furfuryl thiopropionate (HMDB0037732, CAS 59020-85-8, FEMA 3347)
309. Whiskey lactone (mixture of isomers, undetermined) (Oak Lactone, HMDB0059817, CAS 39212-23-2, FEMA 3803)
310. (4-Ethylphenyl)methanol (PUBCHEMCID13034,List of compounds (continued)
311. 3,4-Dimethylbenzyl alcohol (PUBCHEMCID23407, CAS 1850598)
312. 2,6-Dimethylbenzyl alcohol (PUBCHEMCID186748, CAS 62285-58-9)
313. 1-Phenyl-1-propanol (HMDB0031627, CAS 93-54-9, FEMA 2884)
314. Benzyl formate (HMDB0041485, CAS 104-57-4, FEMA 2145)
315. 4-Methylbenzyl alcohol (HMDB0041609, CAS 589-18-4, FEMA 4624)
316. α-Phenethyl alcohol (HMDB0032619, CAS 98-85-1, FEMA 2685)
317. 3-Methylbenzyl alcohol (PUBCHEMCID11476, CAS 587-03-1)
318. 2-Methylbenzyl alcohol (PUBCHEMCID6994, CAS 89-95-2)
319. Salicyl alcohol (HMDB0059709, CAS 90-01-7)
320. 3-Hydroxybenzyl alcohol (HMDB0059712, CAS 620-24-6)
321. 4-Hydroxybenzyl alcohol (PUBCHEMCID125, CAS 623-05-2, FEMA 3987)
322. 3-Methoxybenzyl alcohol (PUBCHEMCID81437, CAS 6971-51-3)
323. 2-Methoxybenzyl alcohol (PUBCHEMCID69154, CAS 612-16-8)
324. 4-Methoxybenzyl alcohol (HMDB0034241, CAS 105-13-5, FEMA 2099)
325. Cuminol (HMDB0031817, CAS 536-60-7, FEMA 2933)
326. Anisyl acetate (HMDB0033761, CAS 104-21-2, FEMA 2098)
327. Benzyl acetate (HMDB0031310, CAS 140-11-4, FEMA 2135)
328. Piperonyl alcohol (PUBCHEMCID10322, CAS 495-76-1)
329. 4-Ethoxybenzyl alcohol (HMDB0034241, CAS 6214-44-4)
330. 3,4-Dimethoxybenzyl alcohol (PUBCHEMCID7118, CAS 93-03-8)
331. 3,5-Dimethoxybenzyl alcohol (PUBCHEMCID69718, CAS 705-76-0)
332. 4-Butoxybenzyl alcohol 98 (PUBCHEMCID80346, CAS 6214-45-5)
333. Benzyl propionate (HMDB0030063, CAS 122-63-4, FEMA 2150)
334. 1-Phenylethyl acetate (HMDB0032620, CAS 93-92-5, FEMA 2684)
335. Cinnamyl isobutyrate (PUBCHEMCID5355851, CAS 103-59-3, FEMA 2297)
336. Cinnamyl butyrate (HMDB0041316, CAS 103-61-7, FEMA 2296)
337. Vanillyl alcohol (PUBCHEMCID62348, CAS 498-00-0, FEMA 3737)
338. Piperonyl acetate (HMDB0032614, CAS 326-61-4, FEMA 2912)
339. 3,4,5-Trimethoxybenzyl alcohol (PUBCHEMCID77449, CAS 3840-31-1)
340. Benzyl isovalerate (HMDB0032043, CAS 103-38-8, FEMA 2152)
341. Benzyl benzoate (HMDB0014814, CAS 120-51-4, FEMA 2138)
342. Benzyl butyrate (HMDB0033376, CAS 103-37-7, FEMA 2140)
343. Cinnamyl benzoate (HMDB0029700, CAS 50555-04-9)
344. Cinnamyl isovalerate (HMDB0041318, CAS 140-27-2, FEMA 2302)
345. Cinnamyl acetate (HMDB0029699, CAS 103-54-8, FEMA 2302)
346. Cinnamyl alcohol (HMDB0029698, CAS 104-54-1, FEMA 2294)
347. Cinnamyl cinnamate (HMDB0033832, CAS 122-69-0, FEMA 2298)
348. Benzyl alcohol (HMDB0003119, CAS 100-51-6, FEMA 2137)
349. Butylated hydroxytoluene (HMDB0033826, CAS 128-37-0, FEMA 2184)
350. p-Tolualdehyde (HMDB0029638, CAS 104-87-0, FEMA 3068)
351. 2,4-Dimethylbenzaldehyde (HMDB0032142, CAS 15764-16-6, FEMA 3427)
352. p-Anisaldehyde (HMDB0029686, CAS 123-11-5, FEMA 2670)
353. 4-Ethoxybenzaldehyde (HMDB0033970, CAS 10031-82-0, FEMA 2413)
354. Vanillin (HMDB0012308, CAS 121-33-5, FEMA 3107)
355. Veratraldehyde (HMDB0032138, CAS 120-14-9, FEMA 3109)
356. 3,4-Dihydroxybenzaldehyde (HMDB0059965, CAS 139-85-5)
357. α-Amylcinnamic aldehyde (mixture of isomers, undetermined) (HMDB0031313, CAS 122-40-7, FEMA 2061)
358. Salicylaldehyde (HMDB0034170, CAS 90-02-8, FEMA 3004)
359. 2-Hydroxy-4-methylbenzaldehyde (HMDB0032603, CAS 698-27-1, FEMA 3697)
360. trans-Cinnamaldehyde (HMDB0003441, CAS 14371-10-9, FEMA 2286)
361. o-Vanillin (PUMCHEMCID8991, CAS 148-53-8)
362. alpha-Methylcinnamaldehyde (PUMCHEMCID5372813, CAS 101-39-3, FEMA 2697)
363. o-Veratraldehyde (PUMCHEMCID66581, CAS 86-51-1)
364. Vanillin isobutyrate (HMDB0037681, CAS 20665-85-4, FEMA 3754)
365. M-Tolualdehyde (HMDB0029637, CAS 620-23-5, FEMA 3068)
366. 4-Ethylbenzaldehyde (HMDB0032024, CAS 4748-78-1, FEMA 3756)
367. O-Anisaldehyde (HMDB0033766, CAS 135-02-4, FEMA 4077)
368. 2,4,5-Trimethylbenzaldehyde (HMDB0032015, CAS 5779-72-6)
369. 4-Hydroxybenzaldehyde (HMDB0011718, CAS 123-08-0, FEMA 3984)
370. Gentisaldehyde (HMDB0004062, CAS 1194-98-5)
371. Isovanilline (PUMCHEMCID12127, CAS 621-59-0)
372. o-Methoxycinnamaldehyde (HMDB0033830, CAS 1504-74-1, FEMA 3181)
373. o-Tolualdehyde (HMDB0029636, CAS 529-20-4, FEMA 3068)
374. 3-Methoxybenzaldehyde (HMDB0031459, CAS 591-31-1)
375. Cuminaldehyde (HMDB0002214, CAS 122-03-2, FEMA 2341)
376. 3-Hydroxybenzaldehyde (PUMCHEMCID101, CAS 100-83-4)
377. Ethyl vanillin (HMDB0029665, CAS 121-32-4, FEMA 2464)
378. Vanillin acetate (HMDB0029663, CAS 881-68-5, FEMA 3108)
379. Syringaldehyde (HMDB0258653, CAS 134-96-3, FEMA 4049)
380. Heptane (HMDB0031447, CAS 142-82-5)
381. Octane (HMDB0001485, CAS 111-65-9)
382. Nonane (HMDB0029595, CAS 111-84-2)
383. Decane (HMDB0031450, CAS 124-18-5)
384. Undecane (HMDB0031445, CAS 1120-21-4)
385. Dodecane (HMDB0031444, CAS 112-40-3)
386. Tridecane (HMDB0034284, CAS 629-50-5)
387. Tetradecane (HMDB0059907, CAS 629-59-4)
388. Pentadecane (HMDB0059886, CAS 629-62-9)
389. Hexadecane (HMDB0033792, CAS 544-76-3)
390. Heptadecane (HMDB0059830, CAS 629-78-7)
391. Octadecane (HMDB0033721, CAS 593-45-3)
392. Nonadecane (HMDB0034289, CAS 629-92-5)
393. Eicosane (HMDB0059909, CAS 112-95-8)
394. Heneicosane (HMDB0061782, CAS 629-94-7)
395. Docosane (HMDB0061865, CAS 629-97-0)
396. Tricosane (HMDB0061866, CAS 638-67-5)
397. Tetracosane (HMDB0034282, CAS 646-31-1)
398. Butanoic acids (HMDB0000039, Butyric acid, CAS 107-92-6, FEMA)
399. Pentanoic acids (HMDB0000892, Valeric acid, CAS 109-52-4, FEMA3101)
400. Hexanoic acid (HMDB0000535, Caproic acid, CAS 142-62-1, FEMA2559)
401. Heptanoic acid (HMDB0000666, , CAS 111-14-8, FEMA3348)
402. Octanoic acid (HMDB0000482, , CAS 124-7-2, FEMA)
403. Nonanoic acid (HMDB0000847, , CAS 112-05-0, FEMA2784)
404. Decanoic acid (HMDB0000511, Capric acid, CAS 334-48-5, FEMA2364)
405. Undecanoic acid (HMDB0000947, Undecylic acid, CAS 112-37-8, FEMA3245)
406. Lauric acid (HMDB0000638, Dodecanoic acid, CAS 143-07-7, FEMA2614)
407. Tridecanoic acid (HMDB0000910, , CAS 638-53-9, FEMA4336)
408. Tetradecanoic acid (HMDB0000806, Myristic acid, CAS 544-63-8, FEMA2764)
409. Pentadecanoic acid (HMDB0000826, , CAS 1002-84-2, FEMA4334)
410. Hexadecanoic acid (HMDB0000220, Palmitic acid, CAS 21096, FEMA2832)
411. Heptadecanoic acid (HMDB0002259, , CAS 506-12-7, FEMA)
412. Octadecanoic acid (HMDB0000827, Stearic acid, CAS 21128, FEMA)