ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #8995 MN MID: SE205_S08_M90 |
| m/z: 253.21628, RT: 94.37, 強度: 7750, ログ強度: 0.29, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (42 names) 4-hexadecynoic acid;(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid;7-hexadecynoic acid;10-hexadecynoic acid;11E,13-Tetradecadienyl acetate;Hydnocarpic acid;5Z,9Z-hexadecadienoic acid;14... |
| DBごとのヒット数: ALL 41 KG 2 KN 5 HM 6 LM 28 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C16H28O2 | 252.20893 | 0.292 | 4-hexadecynoic acid | LipidMAPS: LMFA01030495 |
| C16H28O2 | 252.20893 | 0.292 | (E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid | KNApSAcK: C00023225 |
| C16H28O2 | 252.20893 | 0.292 | 7-hexadecynoic acid | HMDB: HMDB0247253 LipidMAPS: LMFA01030496 |
| C16H28O2 | 252.20893 | 0.292 | 10-hexadecynoic acid | LipidMAPS: LMFA01030497 |
| C16H28O2 | 252.20893 | 0.292 | 6Z,13Z-hexadecadienoic acid | LipidMAPS: LMFA01031361 |
| C16H28O2 | 252.20893 | 0.292 | 11E,13-Tetradecadienyl acetate | LipidMAPS: LMFA07010284, LMFA07010308 |
| C16H28O2 | 252.20893 | 0.292 | Hydnocarpic acid | KEGG: C16795 LipidMAPS: LMFA01140023 |
| C16H28O2 | 252.20893 | 0.292 | 5Z,9Z-hexadecadienoic acid | LipidMAPS: LMFA01030814 |
| C16H28O2 | 252.20893 | 0.292 | 14-methyl-5Z,9Z-pentadecadienoic acid | LipidMAPS: LMFA01031209 |
| C16H28O2 | 252.20893 | 0.292 | 9E,12E-Tetradecadienyl acetate | LipidMAPS: LMFA07010297, LMFA07010322, LMFA07010325 |
| C16H28O2 | 252.20893 | 0.292 | Geranyl hexanoate | HMDB: HMDB0029351 LipidMAPS: LMFA07010618, LMFA07010627 |
| C16H28O2 | 252.20893 | 0.292 | Hexadecadienoic acid | HMDB: HMDB0302694 LipidMAPS: LMFA01030269, LMFA01030270 |
| C16H28O2 | 252.20893 | 0.292 | Octahydro-1-(1-methoxy-2-methylpropyl)-3a-methyl-7-methylene-1H-inden-4-ol | KNApSAcK: C00013555 |
| C16H28O2 | 252.20893 | 0.292 | 11-Methyl-9Z,12-tridecadienyl acetate | LipidMAPS: LMFA07010280 |
| C16H28O2 | 252.20893 | 0.292 | Geranyl 2-ethylbutyrate | HMDB: HMDB0038255 |
| C16H28O2 | 252.20893 | 0.292 | 11-Methoxyopposit-4(15)-en-1beta-ol | KNApSAcK: C00031494 |
| C16H28O2 | 252.20893 | 0.292 | (Z)-7-Hexadecen-1,16-olide | HMDB: HMDB0031086 |
| C16H28O2 | 252.20893 | 0.292 | D6-Ambrettolide | HMDB: HMDB0037805 |
| C16H28O2 | 252.20893 | 0.292 | 10E,12E-Tetradecadienyl acetate | LipidMAPS: LMFA07010294, LMFA07010298, LMFA07010317, LMFA07010323 |
| C16H28O2 | 252.20893 | 0.292 | 3E,8Z-Tetradecadienyl acetate | LipidMAPS: LMFA07010301 |
| C16H28O2 | 252.20893 | 0.292 | 10Z,12E-hexadecadienoic acid | LipidMAPS: LMFA01030268 |
| C16H28O2 | 252.20893 | 0.292 | (6Z,9Z)-Hexadecadienoic acid | KEGG: C21980 LipidMAPS: LMFA01030272, LMFA01030273 |
| C16H28O2 | 252.20893 | 0.292 | 9,12-hexadecadienoic acid | KNApSAcK: C00052786 LipidMAPS: LMFA01030109, LMFA01030275 |
| C16H28O2 | 252.20893 | 0.292 | 4Z,7Z-Hexadecadienoic acid | LipidMAPS: LMFA01031050 |
| C16H28O2 | 252.20893 | 0.292 | (Z)-3-Dodecenyl (E)-2-butenoate | LipidMAPS: LMFA07010533 |
| C16H28O2 | 252.20893 | 0.292 | 4E,10Z-Tetradecadienyl acetate | LipidMAPS: LMFA07010302 |
| C16H28O2 | 252.20893 | 0.292 | 3Z,9Z-hexadecadienoic acid | LipidMAPS: LMFA01030271 |
| C16H28O2 | 252.20893 | 0.292 | Hugonianene B | KNApSAcK: C00033921 |
| C16H28O2 | 252.20893 | 0.292 | Linalyl hexanoate | HMDB: HMDB0030429 |
| C16H28O2 | 252.20893 | 0.292 | Isoambrettolide | HMDB: HMDB0032340 |
| C16H28O2 | 252.20893 | 0.292 | Ethyl (Z,Z)-5,8-tetradecadienoate | HMDB: HMDB0039131 |
| C16H28O2 | 252.20893 | 0.292 | 8Z,10Z-hexadecadienoic acid | LipidMAPS: LMFA01030274 |
| C16H28O2 | 252.20893 | 0.292 | 3E,7Z-Tetradecadienyl acetate | LipidMAPS: LMFA07010300 |
| C16H28O2 | 252.20893 | 0.292 | 7Z,10Z-Hexadecadienoic acid | HMDB: HMDB0000477 LipidMAPS: LMFA01030806, LMFA01030807 |
| C16H28O2 | 252.20893 | 0.292 | 3E,5E-Tetradecadienyl acetate | LipidMAPS: LMFA07010295, LMFA07010299, LMFA07010318 |
| C16H28O2 | 252.20893 | 0.292 | (Z)-3-Decenyl (E)-3-hexenoate | LipidMAPS: LMFA07010531 |
| C16H28O2 | 252.20893 | 0.292 | 2-hexadecynoic acid | LipidMAPS: LMFA01030494 |
| C16H28O2 | 252.20893 | 0.292 | 8E,10E-Tetradecadienyl acetate | LipidMAPS: LMFA07010296, LMFA07010304, LMFA07010319 |
| C16H28O2 | 252.20893 | 0.292 | 4E,9Z-Tetradecadienyl acetate | LipidMAPS: LMFA07010303 |
| C16H28O2 | 252.20893 | 0.292 | 9E,11-Tetradecadienyl acetate | LipidMAPS: LMFA07010292, LMFA07010305, LMFA07010321, LMFA07010324 |
| C16H28O2 | 252.20893 | 0.292 | 3-oxo-9Z-Hexadecenal | LipidMAPS: LMFA06000215 |
| C16H28O2 | 252.20893 | 0.292 | (Z)-3-Decenyl (E)-2-hexenoate | LipidMAPS: LMFA07010530 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 253.21625 |
| Splash: splash10-00kr-0090000000-b9ba02daf01f9ba1fb19 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 235.13 | 14110 | 18 | 1000 |
| 217.18 | 7158 | 36 | 507 |
| 151.10 | 799 | 102 | 56 |
| 179.08 | 741 | 74 | 52 |
| 193.12 | 737 | 60 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 7-Methoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(none) | Flavone | 6-Methoxyflavone |
| 0.000 | [2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none) | 2-substituted Isoflavone | 7-Hydroxy-2-methylisoflavone |
| Level: 3, プリカーサーm/z: 235.12184 |
| Splash: splash10-014i-0490000000-ee3fdffe9b1fa6670653 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 217.09 | 5213 | 18 | 1000 |
| 135.00 | 577 | 100 | 110 |
| 120.94 | 497 | 114 | 95 |
| 161.03 | 434 | 74 | 83 |
| 147.05 | 416 | 88 | 79 |
| 132.97 | 275 | 102 | 52 |
| 149.08 | 264 | 86 | 50 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 217.09041 |
| Splash: splash10-03gj-0900000000-6ea28df362953a4dd0f6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 161.07 | 1117 | 56 | 1000 |
| 175.09 | 699 | 42 | 625 |
| 147.03 | 650 | 70 | 581 |
| 132.96 | 531 | 84 | 475 |
| 121.01 | 498 | 96 | 445 |
| 134.96 | 497 | 82 | 445 |
| 189.11 | 390 | 28 | 349 |
| 119.05 | 293 | 98 | 262 |
| 109.03 | 247 | 108 | 221 |
| 106.98 | 200 | 110 | 178 |
| 94.99 | 169 | 122 | 151 |
| 123.08 | 145 | 94 | 130 |
| 105.00 | 123 | 112 | 110 |
| 80.99 | 113 | 136 | 101 |
| 148.96 | 95 | 68 | 84 |
| 93.00 | 86 | 124 | 77 |
FlavonoidSearch結果
ヒットなし