ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
|
| Peak #10019 MN MID: SE203_S11_M90 |
| m/z: 367.24779, RT: 78.78, 強度: 2059, ログ強度: -0.29, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (4 names) Betaenone D;Sinuflexibilin;(-)-Sinuflexibilin;4,4'-Bis(2-hydroxyethylethylamino)-2,2'-dimethylazobenzene |
| DBごとのヒット数: ALL 3 KN 2 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.062, 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 |
|---|---|---|---|---|
| C21H36O6 | 384.25119 | -0.299 | Betaenone D | KNApSAcK: C00000531 |
| C21H36O6 | 384.25119 | -0.299 | Sinuflexibilin | KNApSAcK: C00050233 |
| C22H32O2N4 | 384.25253 | -3.780 | 4,4'-Bis(2-hydroxyethylethylamino)-2,2'-dimethylazobenzene | HMDB: HMDB0248812 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 367.24789 |
| Splash: splash10-0006-0090000000-2a4b1eeb0aefa959a885 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 293.28 | 10354 | 74 | 1000 |
| 275.26 | 694 | 92 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.063 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavonol | 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether |
| 0.053 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Barpisoflavone C |
| 0.053 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | 3'-Hydroxyalpinumisoflavone 4'-methyl ether |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Coumestan | Mirificoumestan |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | Puerarostan |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Coumestan | 3,9-Dihydroxy-1-methoxy-8-prenylcoumestan |
| 0.000 | [Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Coumestan | Glycyrol |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | Racemoflavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone III |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Glyflavanone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | Glychalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 3,4-Dimethoxylonchocarpin |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Edulenane |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol C |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Praecansone B |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | O-Methylovaliflavanone C |
| 0.000 | [Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | cis-Tephrostachin |
| 0.000 | [Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | trans-Tephrostachin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH) | Flavone | Desmodol |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3'-Methoxypongapin |
| 0.000 | [Flavonol]-A(2OH, 1Sulfate)-B(1OH) | Flavonol | Kaempferol 8-C-sulfate |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | Vellokaempferol 3-methyl ether |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Derrubone |
| 0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautenanol |
| 0.000 | [Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isoglycyrol |
| 0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Pachyrrhizone |
| 0.000 | [12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Methoxydolineone |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Neofolin |
| Level: 3, プリカーサーm/z: 293.26544 |
| Splash: splash10-0ftf-1960000000-0c66ab07f1c37a17869b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 293.37 | 294 | -0 | 1000 |
| 165.19 | 236 | 128 | 803 |
| 275.36 | 196 | 18 | 666 |
| 237.10 | 166 | 56 | 563 |
| 150.92 | 149 | 142 | 507 |
| 177.16 | 100 | 116 | 341 |
| 120.97 | 90 | 172 | 305 |
| 106.92 | 86 | 186 | 292 |
| 104.98 | 78 | 188 | 266 |
| 94.82 | 75 | 198 | 255 |
| 131.03 | 56 | 162 | 191 |
| 90.92 | 56 | 202 | 191 |
| 164.57 | 49 | 129 | 165 |
| 122.97 | 44 | 170 | 149 |
| 125.03 | 39 | 168 | 132 |
| 135.07 | 39 | 158 | 132 |
| 92.89 | 37 | 200 | 126 |
| 129.09 | 37 | 164 | 125 |
| 223.23 | 36 | 70 | 120 |
| 108.90 | 31 | 184 | 105 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Aurone | 4-Methoxyfurano[2'',3'':6,7]aurone |
| 0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone A |
| 0.000 | [alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none) | alpha-substituted Chalcone | Purpuritenin B |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl) | Chalcone | Purpuritenin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Pongone |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Cauliflorin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | Glabone |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavone | 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | Kanjone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | 9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Flavone | Pinnatin |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Flavonol | Karanjin |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none) | Flavonol | Ponganone XI |
| Level: 3, プリカーサーm/z: 275.21155 |
| Splash: splash10-0a4i-1940000000-1aea21b8b7ffa7649a90 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.20 | 38 | 18 | 1000 |
| 177.14 | 21 | 98 | 545 |
| 133.04 | 19 | 142 | 493 |
| 106.91 | 11 | 168 | 295 |
| 144.99 | 11 | 130 | 291 |
| 164.94 | 10 | 110 | 269 |
| 130.81 | 10 | 144 | 256 |
| 205.08 | 9 | 70 | 233 |
| 99.01 | 8 | 176 | 216 |
| 159.19 | 8 | 116 | 215 |
| 120.99 | 7 | 154 | 188 |
| 219.20 | 7 | 56 | 180 |
| 94.88 | 7 | 180 | 179 |
| 245.26 | 6 | 30 | 158 |
| 157.27 | 6 | 118 | 154 |
| 163.17 | 6 | 112 | 147 |
| 79.07 | 5 | 196 | 138 |
| 187.02 | 5 | 88 | 138 |
| 173.15 | 5 | 102 | 131 |
| 183.12 | 5 | 92 | 126 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.087 | [Flavan 3-ol]-A(2OH)-B(1OH) | Flavan 3-ol | Afzelechin |
| 0.087 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | Fisetinidol |
| 0.045 | [Dihydrochalcone]-A(3OH)-B(1OH) | Dihydrochalcone | Phloretin |
| 0.000 | [Auronol]-A(none)-B(1Cl) | Auronol | 4'-Chloro-2-hydroxyaurone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OH) | Dihydrochalcone alpha-ol | 4,2',4',alpha-Tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(1OH) | Flavan 4-ol | Apifero |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(2OH) | Flavan | 5,7,3',4'-Tetrahydroxyflavan |