ピーク情報
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イネ 葉 ニッポンバレ
pos
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| Peak #7628 MN MID: SE199_S41_M90 |
| m/z: 651.36564, RT: 85.96, 強度: 53310, ログ強度: 1.14, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (31 names) 5,6-Peroxy-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione;5,8-Peroxy-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione;(2R,2'R,3S,3'S)-2,2',3,3'-Tetrahydroxy-beta,beta-carotene-4,4'-dione;PA(20:3(5Z,11Z,14Z)... |
| DBごとのヒット数: ALL 31 KN 1 HM 28 LM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.214 |
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 |
|---|---|---|---|---|
| C40H52O6 | 628.37639 | 0.041 | 5,6-Peroxy-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione | LipidMAPS: LMPR01070808 |
| C40H52O6 | 628.37639 | 0.041 | 5,8-Peroxy-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione | LipidMAPS: LMPR01070809 |
| C40H52O6 | 628.37639 | 0.041 | (2R,2'R,3S,3'S)-2,2',3,3'-Tetrahydroxy-beta,beta-carotene-4,4'-dione | KNApSAcK: C00023069 LipidMAPS: LMPR01070830 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:3(5Z,11Z,14Z)-O(8,9)/10:0) | HMDB: HMDB0262644 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:3(5Z,8Z,11Z)-O(14R,15S)/10:0) | HMDB: HMDB0262640 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,11Z,14Z)-OH(17)/10:0) | HMDB: HMDB0262656 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(6E,8Z,11Z,14Z)-OH(5S)/10:0) | HMDB: HMDB0262650 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) | HMDB: HMDB0262657 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,10E,14Z)-OH(12S)/10:0) | HMDB: HMDB0262662 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) | HMDB: HMDB0262661 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:3(5Z,8Z,11Z)-O(14R,15S)) | HMDB: HMDB0262639 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) | HMDB: HMDB0262647 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5E,8Z,12Z,14Z)-OH(11R)/10:0) | HMDB: HMDB0262664 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:3(8Z,11Z,14Z)-O(5,6)) | HMDB: HMDB0262645 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:3(5Z,8Z,14Z)-O(11S,12R)) | HMDB: HMDB0262641 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:3(5Z,11Z,14Z)-O(8,9)) | HMDB: HMDB0262643 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,11Z,14Z)-OH(18R)/10:0) | HMDB: HMDB0262654 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,7E,11Z,14Z)-OH(9)/10:0) | HMDB: HMDB0262666 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:3(8Z,11Z,14Z)-O(5,6)/10:0) | HMDB: HMDB0262646 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,11Z,14Z)-OH(20)/10:0) | HMDB: HMDB0262648 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,11Z,14Z)-OH(16R)/10:0) | HMDB: HMDB0262658 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)) | HMDB: HMDB0262651 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,11Z,13E)-OH(15S)/10:0) | HMDB: HMDB0262660 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:4(5Z,8Z,11Z,14Z)-OH(19S)/10:0) | HMDB: HMDB0262652 |
| C33H57O9P | 628.37402 | 3.810 | PA(20:3(5Z,8Z,14Z)-O(11S,12R)/10:0) | HMDB: HMDB0262642 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) | HMDB: HMDB0262659 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) | HMDB: HMDB0262663 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) | HMDB: HMDB0262653 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) | HMDB: HMDB0262649 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,7E,11Z,14Z)-OH(9)) | HMDB: HMDB0262665 |
| C33H57O9P | 628.37402 | 3.810 | PA(10:0/20:4(5Z,8Z,11Z,14Z)-OH(17)) | HMDB: HMDB0262655 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 651.36353 |
| Splash: splash10-000i-0009000000-1763391832f93ae2c575 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 337.17 | 31293 | 314 | 1000 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 337.17255 |
| Splash: splash10-0006-0190000000-53f9380be3ff0b010641 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 293.25 | 138 | 44 | 1000 |
| 121.13 | 11 | 216 | 81 |
| 318.94 | 9 | 18 | 64 |
| 137.18 | 7 | 200 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.214 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Glabrone |
| 0.214 | [Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Puerarone |
| 0.143 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Chalcone | Licoagrochalcone B |
| 0.143 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Atalantoflavone |
| 0.143 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavone | Carpachromene |
| 0.133 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isoderrone |
| 0.133 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Alpinumisoflavone |
| 0.133 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Derrone |
| 0.100 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Pterocarpan | Hemileiocarpin |
| 0.083 | [Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Isoflavone | 4'-O-Methylneobavaisoflavone |
| 0.083 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Psoralidin |
| 0.083 | [Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Coumestan | Isosojagol |
| 0.083 | [Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH) | Coumestan | Phaseol |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Oaxacacin |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Pongachalcone I |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Cedreprenone |
| 0.077 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | 4-Methoxylonchocarpin |
| 0.071 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Ovalichromene |
| 0.071 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin methyl ether |
| 0.071 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Dorspoinsettifolin |
| 0.067 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo C |
| 0.000 | [2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-(alpha-oxobenzyl)benzofuran | Derriobtusone B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | 2'-Hydroxychalcone | Crassichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 6'-Demethoxypraecansone B |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none) | Flavanone | Tephroleocarpin B |
| 0.000 | [Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavanone | Emoroidenone |
| 0.000 | [Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavone | Lanceolatin A(flavonoid) |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavone | Ciliatin A |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongapin |
| 0.000 | [Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none) | Flav-3-ene | Tephrowatsin B |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dehydroneotenone |
| 0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Isoflavone | Garhwalin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Clandestacarpin |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Coumestan | Sojagol |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Coumestan | Isopsoralidin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Rotenone | Dolineone |
| 0.000 | [3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | Pachyrrhizin |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
|---|