ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
|
| Peak #9409 MN MID: SE203_S11_M90 |
| m/z: 444.34707, RT: 63.77, 強度: 2206, ログ強度: -0.23, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: Puqienine B |
| DBごとのヒット数: ALL 1 KN 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.250 |
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 |
|---|---|---|---|---|
| C28H45O3N | 443.33994 | -0.346 | Puqienine B | KNApSAcK: C00028890 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 444.34616 |
| Splash: splash10-00di-0090000000-646bb8335ff409a64b2f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.24 | 6110 | 171 | 1000 |
| 255.23 | 765 | 189 | 125 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 273.24393 |
| Splash: splash10-0a4i-0190000000-de03241cf7e5618e1593 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 255.23 | 3505 | 18 | 1000 |
| 161.07 | 495 | 112 | 141 |
| 163.10 | 178 | 110 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.250 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.250 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.231 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.200 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.167 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.167 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.143 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.143 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.143 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.125 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.091 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.083 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.083 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.083 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.083 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.071 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.067 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.000 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |
| Level: 3, プリカーサーm/z: 255.22897 |
| Splash: splash10-059b-0900000000-0c6f423a81bc893ee8c8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 159.17 | 60 | 96 | 1000 |
| 173.07 | 60 | 82 | 993 |
| 147.07 | 57 | 108 | 947 |
| 185.15 | 29 | 70 | 478 |
| 199.17 | 29 | 56 | 473 |
| 144.99 | 27 | 110 | 443 |
| 187.14 | 26 | 68 | 428 |
| 174.99 | 16 | 80 | 263 |
| 227.28 | 15 | 28 | 247 |
| 132.98 | 14 | 122 | 226 |
| 120.87 | 11 | 134 | 178 |
| 160.71 | 8 | 95 | 131 |
| 104.82 | 7 | 150 | 121 |
| 91.00 | 6 | 164 | 107 |
| 92.88 | 6 | 162 | 103 |
| 107.09 | 6 | 148 | 93 |
| 213.37 | 4 | 42 | 61 |
| 161.33 | 4 | 94 | 59 |
| 151.22 | 4 | 104 | 58 |
| 134.92 | 3 | 120 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.194 | [Flavonol]-A(1OH)-B(none) | Flavonol | 3,7-Dihydroxyflavone |
| 0.148 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,2'-Dihydroxyflavone |
| 0.148 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,4'-Dihydroxyflavone |
| 0.148 | [Flavone]-A(1OH)-B(1OH) | Flavone | 5,2'-Dihydroxyflavone |
| 0.148 | [Flavone]-A(1OH)-B(1OH) | Flavone | 8,2'-Dihydroxyflavone |
| 0.148 | [Flavone]-A(none)-B(2OH) | Flavone | 2',5'-Dihydroxyflavone |
| 0.148 | [Flavone]-A(none)-B(2OH) | Flavone | 3',4'-Dihydroxyflavone |
| 0.143 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | Daidzein |
| 0.143 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | 8,4'-Dihydroxyisoflavone |
| 0.107 | [Flavone]-A(2OH)-B(none) | Flavone | Primetin |
| 0.107 | [Flavone]-A(2OH)-B(none) | Flavone | Chrysin |
| 0.103 | [Isoflavone]-A(2OH)-B(none) | Isoflavone | 5,7-Dihydroxyisoflavone |
| 0.033 | [Chalcone]-A(1OH, 1OMe)-B(none) | Chalcone | 4'-Hydroxy-2'-methoxychalcone |
| 0.000 | [Flavanone]-A(1OMe)-B(none) | Flavanone | 7-Methoxyflavanone |
| 0.000 | [Aurone]-A(1OH)-B(1OH) | Aurone | Hispidol |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH) | 3-DehydroxyAnthocyanidin | Apigeninidin |
| 0.000 | [Pterocarpene]-A(1OH)-B(1OH) | Pterocarpene | Anhydroglycinol |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none) | 3-substituted 2-Phenylbenzofuran | Parvifuran |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Nordalbergin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Serratin |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4-Methoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 1OMe)-B(none) | Neoflavene | Dalbergichromene |