风味组学注释
风味组学通常指挥发性代谢物检测，在常压下，沸点在50℃-260℃的各种有机化合物。风味代谢组基于GC-MS平台。GC-MS 高通量、高精密度、灵敏度及重现性。具有可参考的标准谱图数据库，易于定性；可检测样品中大多数有机分子。检测平台采用GC×GC/TOF MS全二维气相色谱。高分辨率、高灵敏度的全二维气相色谱技术及高采集速率（500张全谱图/秒）飞行时间质谱技术，为复杂样品及未知物样品分析提供完美解决方案。全自动定性能力、定量能力超越同类飞行质谱。集成了气相和高采集速率的飞行时间质谱的所有优点。
检测平台采用GC×GC/TOF MS全二维气相色谱。高分辨率、高灵敏度的全二维气相色谱技术及高采集速率（500张全谱图/秒）飞行时间质谱技术，为复杂样品及未知物样品分析提供完美解决方案。全自动定性能力、定量能力超越同类飞行质谱。集成了气相和高采集速率的飞行时间质谱的所有优点。
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| name | CAS | RT | OdorMin | OdorMax | Odor | Flavor | CZ1 | CZ2 | CZ3 | KA1 | KA2 | KA3 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-Decanol | 112-30-1 | 1255.95 | NA | NA | NA | fat, rose, orange, floral, sweet, fatty, watery, clean, waxy | 15395860 | 14363326 | 16010466 | 19188512 | 19207514 | 17316795 |
| 1-Decene | 872-05-9 | 1255.94 | 6.45 | 0 | pleasant | NA | 151955 | 120912 | 108203 | 141210 | 146576 | 141992 |
| 1-Heptanol | 111-70-6 | 891.71 | NA | NA | NA | herbal, violet, green, leafy, coconut, sweet, peony, musty, chemical, strawberry, woody | 160189 | 168405 | 177643 | 154986 | 141832 | 140545 |
| 1-Hexanol | 111-27-3 | 758.69 | NA | NA | NA | fruity, ethereal, green, flower, sweet, alcoholic, resin, fusel, oil | 3107256 | 3187305 | 4112711 | 3817545 | 4327638 | 4325381 |
| 1-Nonanol | 143-08-8 | 1143.87 | NA | NA | NA | fat, green, rose, oily, fresh, orange, bitter, floral, wet, dusty, fatty, clean | 93428 | 96594 | 81063 | 0 | 0 | 0 |
| 1-Octanol | 111-87-5 | 1017.8 | 9.00E-04 | 1.69 | penetrating | NA | 1396211 | 1443706 | 1322259 | 1563486 | 1164454 | 1349989 |
| 1-Pentanol | 71-41-0 | 618.515 | NA | NA | NA | balsamic, vanilla, balsam, sweet, fusel, oil | 3094170 | 2465865 | 2440119 | 3000670 | 3614488 | 3807234 |
| 2-Ethoxyethanol | 110-80-5 | 391.035 | 0.3 | 49 | sweet, musty | NA | 6775965 | 7879488 | 4517036 | 7830100 | 4888049 | 5891601 |
| 2-Nonanol | 628-99-9 | 968.935 | NA | NA | NA | fruity, green, creamy, orange, citrus, cucumber, cheese, waxy | 145204 | 165598 | 148890 | 210635 | 188045 | 166669 |
| 2-Nonanone | 821-55-6 | 808.565 | NA | NA | NA | herbal, green, weedy, fresh, soapy, sweet, fishy, earthy, soap, hot milk | 217178 | 362159 | 0 | 0 | 362010 | 337139 |
| 2-Undecanol | 1653-30-1 | 1207.13 | NA | NA | NA | fresh, cotton, sarsaparilla, clean cloth, waxy | 1920929 | 1379498 | 1005776 | 894532 | 791732 | 917299 |
| 2-Undecanone | 112-12-9 | 1074.74 | NA | NA | NA | fruity, green, creamy, fresh, orange, orris, floral, fatty, iris, waxy | 109194 | 94270 | 137513 | 164995 | 220120 | 168708 |
| 9-Decenoic acid | 14436-32-9 | 1822.52 | NA | NA | NA | fruity, green, soapy, fatty, waxy | 927657 | 897165 | 405227 | 2193807 | 1012259 | 1321071 |
| Acetone | 67-64-1 | 1108.47 | 0.4 | 11745 | sweet, fruity, etherous | NA | 1663173 | 0 | 0 | 0 | 0 | 0 |
| Acetophenone | 98-86-2 | 1136.97 | 0.00024 | 0.59 | sweet, almond, pungent, oranges, river water | acacia, flower, must, pungent, hawthorn, almond, bitter, sweet, hawthorne, mimosa, chemical | 1888779 | 1720542 | 1122579 | 5673423 | 2251883 | 2764535 |
| Benzaldehyde | 100-52-7 | 982.87 | 0.0015 | 783 | bitter almond, fruit, vanilla | NA | 276483 | 0 | 0 | 0 | 95767 | 94267 |
| Citronellol | 106-22-9 | 1262.88 | NA | NA | NA | leather, rose, bitter, floral, citrus, rose bud, geranium, waxy | 1043134 | 11179379 | 1115002 | 11202293 | 11957176 | 15865122 |
| Decanal | 112-31-2 | 955.695 | NA | NA | NA | tallow, aldehydic, floral, sweet, citrus, soap, orange peel, waxy | 693797 | 220978 | 80474 | 0 | 0 | 0 |
| Ethanolamine | 141-43-5 | 1318.44 | 2.6 | 24 | ammonia | NA | 1121195 | 0 | 0 | 104198 | 23343488 | 477061 |
| Ethyl Acetate | 141-78-6 | 251.385 | 0.09 | 190 | fruity, sweet, fingernail polish, etherous | fruity, ethereal, green, anise, weedy, balsam, sweet, pineapple | 0 | 102818 | 90675 | 0 | 0 | 0 |
| Ethyl trans-4-decenoate | 76649-16-6 | 1193.91 | NA | NA | NA | fruity, cognac, green, waxy | 0 | 161079 | 0 | 0 | 0 | 0 |
| Furfural | 1998/1/1 | 905.58 | 0.002 | 0.713 | bread, almond | NA | 0 | 193112 | 42968 | 49749 | 0 | 94696 |
| Isopentyl hexanoate | 2198-61-0 | 900.255 | NA | NA | NA | fruity, green, apple, pineapple, banana | 0 | 4215995 | 7621836 | 3946843 | 5288000 | 4594719 |
| Isopropyl Alcohol | 67-63-0 | 1059.35 | 1 | 2197 | sharp, rubbingalcohol | NA | 0 | 370441 | 973239 | 436121 | 0 | 76158 |
| L-Lactic acid | 79-33-4 | 303.305 | NA | NA | NA | acidic, odorless | 0 | 314731 | 0 | 274892 | 361308 | 384481 |
| Linalool | 78-70-6 | 718.36 | NA | NA | NA | green, flower, lavender, orange, floral, sweet, lemon, blueberry, citrus, bois de rose, woody | 0 | 47787 | 44543 | 0 | 0 | 0 |
| Nerolidol | 142-50-7 | 1543.36 | NA | NA | NA | green, wax, flower, floral, citrus, wood, woody, waxy | 0 | 0 | 0 | 373092 | 274023 | 354767 |
| Nonanal | 124-19-6 | 815.62 | NA | NA | NA | lime, grapefruit, fat, rose, green, fresh, aldehydic, orris, fishy, citrus, peely, fatty, orange peel, waxy | 0 | 0 | 0 | 189591 | 149508 | 133963 |
| Octanal | 124-13-0 | 675.45 | NA | NA | NA | fat, green, aldehydic, lemon, citrus, fatty, soap, orange peel, waxy | 0 | 0 | 0 | 99244 | 0 | 108797 |
| Phenol | 108-95-2 | 1514.42 | 0.0045 | 1.95 | medicinal, acid, ink, creosote, empyreumatic | NA | 0 | 0 | 0 | 24066 | 29958 | 0 |
| Pyruvic acid | 127-17-3 | 210.125 | NA | NA | NA | sour, acetic, sharp, caramellic | 0 | 0 | 0 | 0 | 33934 | 0 |
| Styrene | 100-42-5 | 647.065 | NA | NA | NA | balsamic, floral, balsam, sweet, plastic, gasoline | 0 | 0 | 0 | 0 | 73303 | 0 |
| Toluene | 108-88-3 | 339.045 | 0.021 | 157 | sour, burnt | NA | 0 | 0 | 0 | 0 | 0 | 46586 |
注：name，物质名称；CAS，CAS号；RT，保留时间；OdorMin，风味范围的最低浓度；OdorMax，风味范围的最高浓度；Odor，风味名称；FlavorDB，FlavorDB数据库注释结果。