ピーク情報
|
イネ 葉 コシヒカリ
pos
|
| Peak #8498 MN MID: SE199_S31_M90 |
| m/z: 241.21625, RT: 91.43, 強度: 3539, ログ強度: -0.00, 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: (48 names) Isobutyl 10-undecenoate;14-Hydroxy-12,13-dihydrosesquiterpineol;7-epi-ent-Eudesmane-5,11-diol;Isopropyl 7Z-dodecenoate;Citronellyl isovalerate;2,5-dimethyl-2E-tridecenoic acid;Methyl 9Z-tetradecenoate... |
| DBごとのヒット数: ALL 47 KG 2 KN 11 HM 4 LM 30 |
| FlavonoidSearch最大スコア MS2: 0.031, 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 |
|---|---|---|---|---|
| C15H28O2 | 240.20893 | 0.185 | Citronellyl isovalerate | HMDB: HMDB0038954 LipidMAPS: LMFA07010818 |
| C15H28O2 | 240.20893 | 0.185 | 2,5-dimethyl-2E-tridecenoic acid | LipidMAPS: LMFA01020109 |
| C15H28O2 | 240.20893 | 0.185 | Methyl 9Z-tetradecenoate | LipidMAPS: LMFA07010493 |
| C15H28O2 | 240.20893 | 0.185 | 2-Tridecenyl acetate | LipidMAPS: LMFA07010281 |
| C15H28O2 | 240.20893 | 0.185 | Isopropyl 5Z-dodecenoate | LipidMAPS: LMFA07010665 |
| C15H28O2 | 240.20893 | 0.185 | Menthyl isovalerate | HMDB: HMDB0037211 |
| C15H28O2 | 240.20893 | 0.185 | (E)-8-Tetradecenyl formate | LipidMAPS: LMFA07010550, LMFA07010551 |
| C15H28O2 | 240.20893 | 0.185 | Rhodinyl isovalerate | HMDB: HMDB0037190 LipidMAPS: LMFA07011014 |
| C15H28O2 | 240.20893 | 0.185 | 9-Pentadecenoic acid | HMDB: HMDB0029765 LipidMAPS: LMFA01030866, LMFA01031327 |
| C15H28O2 | 240.20893 | 0.185 | 11E-Tridecenyl acetate | LipidMAPS: LMFA07010263, LMFA07010273 |
| C15H28O2 | 240.20893 | 0.185 | Methyl 5Z-tetradecenoate | LipidMAPS: LMFA07010490 |
| C15H28O2 | 240.20893 | 0.185 | 15,5-Farnesanolide | HMDB: HMDB0040997 |
| C15H28O2 | 240.20893 | 0.185 | 14-pentadecenoic acid | KNApSAcK: C00055611 LipidMAPS: LMFA01030053 |
| C15H28O2 | 240.20893 | 0.185 | Isopropyl 9Z-dodecenoate | LipidMAPS: LMFA07010669 |
| C15H28O2 | 240.20893 | 0.185 | 6E-Tridecenyl acetate | LipidMAPS: LMFA07010266 |
| C15H28O2 | 240.20893 | 0.185 | Cryptomeridiol | KEGG: C17676 KNApSAcK: C00012765, C00035496 |
| C15H28O2 | 240.20893 | 0.185 | 9E-Tridecenyl acetate | LipidMAPS: LMFA07010268, LMFA07010276 |
| C15H28O2 | 240.20893 | 0.185 | 3,7,11-Trimethyl-1,10-dodecadiene-3,7-diol | KNApSAcK: C00011405 |
| C15H28O2 | 240.20893 | 0.185 | 10Z-pentadecenoic acid | HMDB: HMDB0304816 KNApSAcK: C00007424 LipidMAPS: LMFA01030259 |
| C15H28O2 | 240.20893 | 0.185 | (Z)-5-Decenyl 3-methylbutanoate | LipidMAPS: LMFA07010532 |
| C15H28O2 | 240.20893 | 0.185 | Citronellyl pentanoate | HMDB: HMDB0037229 KNApSAcK: C00054004 LipidMAPS: LMFA07010819 |
| C15H28O2 | 240.20893 | 0.185 | 5Z-pentadecenoic acid | LipidMAPS: LMFA01031197, LMFA01031287 |
| C15H28O2 | 240.20893 | 0.185 | Exaltolide | HMDB: HMDB0034455 |
| C15H28O2 | 240.20893 | 0.185 | Isobutyl 10-undecenoate | HMDB: HMDB0032347 LipidMAPS: LMFA07010914 |
| C15H28O2 | 240.20893 | 0.185 | 14-Hydroxy-12,13-dihydrosesquiterpineol | KNApSAcK: C00011945 |
| C15H28O2 | 240.20893 | 0.185 | 7-epi-ent-Eudesmane-5,11-diol | KEGG: C22043 KNApSAcK: C00012766 |
| C15H28O2 | 240.20893 | 0.185 | Isopropyl 7Z-dodecenoate | LipidMAPS: LMFA07010667 |
| C15H28O2 | 240.20893 | 0.185 | 12Z-pentadecenoic acid | LipidMAPS: LMFA01031323 |
| C15H28O2 | 240.20893 | 0.185 | 8Z-pentadecenoic acid | LipidMAPS: LMFA01031325 |
| C15H28O2 | 240.20893 | 0.185 | (Z)-13-Methyltetradec-4-enoic acid | LipidMAPS: LMFA01020445 |
| C15H28O2 | 240.20893 | 0.185 | Butyl undecylenate | HMDB: HMDB0036426 LipidMAPS: LMFA07010797 |
| C15H28O2 | 240.20893 | 0.185 | Cyclonerodiol | KNApSAcK: C00011527 |
| C15H28O2 | 240.20893 | 0.185 | 7,15-Dihydroxybisabol-10-ene | KNApSAcK: C00022800 |
| C15H28O2 | 240.20893 | 0.185 | 4E-Tridecenyl acetate | LipidMAPS: LMFA07010265, LMFA07010274 |
| C15H28O2 | 240.20893 | 0.185 | 10Z-Tridecenyl acetate | LipidMAPS: LMFA07010272 |
| C15H28O2 | 240.20893 | 0.185 | 8E-Tridecenyl acetate | LipidMAPS: LMFA07010267, LMFA07010275 |
| C15H28O2 | 240.20893 | 0.185 | 5-Ethyltridecane-2,4-dione | LipidMAPS: LMFA12000260 |
| C15H28O2 | 240.20893 | 0.185 | 7-Ethyltridecane-4,6-dione | LipidMAPS: LMFA12000262 |
| C15H28O2 | 240.20893 | 0.185 | 3E-Tridecenyl acetate | LipidMAPS: LMFA07010264 |
| C15H28O2 | 240.20893 | 0.185 | Pentadecenoic acid | HMDB: HMDB0302623 LipidMAPS: LMFA01030052, LMFA01031162 |
| C15H28O2 | 240.20893 | 0.185 | Ajanol | KNApSAcK: C00012764 |
| C15H28O2 | 240.20893 | 0.185 | 11Z-pentadecenoic acid | LipidMAPS: LMFA01031324, LMFA01031326 |
| C15H28O2 | 240.20893 | 0.185 | Dihydropseudotsugonol | KNApSAcK: C00011898 |
| C15H28O2 | 240.20893 | 0.185 | 5,6-methylenetetradecanoic acid | LipidMAPS: LMFA01140043 |
| C15H28O2 | 240.20893 | 0.185 | (Z)-7-Dodecenyl propionate | LipidMAPS: LMFA07010536 |
| C15H28O2 | 240.20893 | 0.185 | Drimane-8alpha,11-diol | KNApSAcK: C00045867 |
| C15H28O2 | 240.20893 | 0.185 | (E)-9-Tetradecenyl formate | LipidMAPS: LMFA07010552, LMFA07010553 |
| C15H28O2 | 240.20893 | 0.185 | 7Z-pentadecenoic acid | LipidMAPS: LMFA01030855 |
| C15H28O2 | 240.20893 | 0.185 | Auberganol | HMDB: HMDB0039715 KNApSAcK: C00054988 |
| C15H28O2 | 240.20893 | 0.185 | Menthyl valerate | HMDB: HMDB0303255 |
| C15H28O2 | 240.20893 | 0.185 | 6E-pentadecenoic acid | LipidMAPS: LMFA01030580, LMFA01031184 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 241.21603 |
| Splash: splash10-0ac0-3920000000-904106f8945a49b61947 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 205.12 | 6196 | 36 | 1000 |
| 149.00 | 4639 | 92 | 748 |
| 134.97 | 4475 | 106 | 722 |
| 122.97 | 3612 | 118 | 582 |
| 109.01 | 3497 | 132 | 564 |
| 80.87 | 2643 | 160 | 426 |
| 94.92 | 2321 | 146 | 374 |
| 121.06 | 1824 | 120 | 294 |
| 163.14 | 1360 | 78 | 219 |
| 106.92 | 1144 | 134 | 184 |
| 223.14 | 1071 | 18 | 172 |
| 92.89 | 853 | 148 | 137 |
| 137.07 | 724 | 104 | 116 |
| 82.90 | 666 | 158 | 107 |
| 141.06 | 618 | 100 | 99 |
| 78.95 | 565 | 162 | 91 |
| 126.99 | 551 | 114 | 88 |
| 98.93 | 524 | 142 | 84 |
| 97.05 | 488 | 144 | 78 |
| 113.04 | 481 | 128 | 77 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.103 | [2'-Hydroxychalcone]-A(2OH)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxychalcone |
| 0.100 | [Flavanone]-A(1OH)-B(none) | Flavanone | 7-Hydroxyflavanone |
| 0.077 | [Chalcone]-A(none)-B(2OH) | Chalcone | 3,4-Dihydroxychalcone |
| 0.067 | [2'-Hydroxychalcone]-A(1OH)-B(1OH) | 2'-Hydroxychalcone | 2,2'-Dihydroxychalcone |
| 0.067 | [2'-Hydroxychalcone]-A(1OH)-B(1OH) | 2'-Hydroxychalcone | 4,2'-Dihydroxychalcone |
| 0.037 | [Chalcone]-A(1OH)-B(1OH) | Chalcone | 3,3'-Dihydroxychalcone |
| 0.037 | [Chalcone]-A(1OH)-B(1OH) | Chalcone | 4,4'-Dihydroxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',beta-Dihydroxychalcone |
| Level: 3, プリカーサーm/z: 205.12093 |
| Splash: splash10-01x1-1900000000-6397679755993b67d6c9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 135.00 | 1095 | 70 | 1000 |
| 149.10 | 954 | 56 | 871 |
| 163.13 | 633 | 42 | 578 |
| 121.02 | 492 | 84 | 449 |
| 109.07 | 189 | 96 | 172 |
| 106.96 | 179 | 98 | 163 |
| 122.99 | 168 | 82 | 153 |
| 93.05 | 154 | 112 | 140 |
| 80.99 | 133 | 124 | 121 |
| 94.94 | 80 | 110 | 72 |
| 137.15 | 74 | 68 | 67 |
| 67.02 | 68 | 138 | 61 |
FlavonoidSearch結果
ヒットなし