ピーク情報
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＜コーヒー・ココア類＞ コーヒー コーヒー飲料 乳成分入り 加糖
pos
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| Peak #513 MN MID: SE120_S160471_M90 |
| m/z: 462.86179, RT: 10.91, 強度: 31778, ログ強度: 0.86, アダクト: [2M+Na]+, 共有数（同様のピークを含むサンプル数）: 41 |
| DB検索結果: (2 names) 4-Iodophenol;2-Iodophenol |
| DBごとのヒット数: ALL 2 KG 1 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
DB検索結果
ppm
ヒットなし
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 462.86130 |
| Splash: splash10-002f-0019000000-545eec64243e57d0a93e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 394.80 | 15681 | 68 | 1000 |
| 326.77 | 6157 | 136 | 392 |
| 378.70 | 4406 | 84 | 280 |
| 258.80 | 3677 | 204 | 234 |
| 242.91 | 1380 | 220 | 88 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(4OMe)-B(4OMe) | Flavone | Agehoustin A |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 6-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Swertiajaponin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 8-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Parkinsonin A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Isoswertiajaponin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavonol | Keyakinin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Dalpanitin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helilupolone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH) | Flavonol | 6-C-Rhamnopyranosylrhamnetin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Exoticin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Purpurascenin |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol E |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol Q |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin | Malvidin 4-vinylcatechol |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b3 |
| Level: 3, プリカーサーm/z: 394.79868 |
| Splash: splash10-0a4i-0191000000-7b24b39bba3003861c3f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 258.78 | 5157 | 136 | 1000 |
| 303.06 | 568 | 92 | 110 |
| 242.84 | 546 | 152 | 105 |
| 214.88 | 426 | 180 | 82 |
| 190.85 | 408 | 204 | 79 |
| 122.87 | 300 | 272 | 58 |
| 326.84 | 264 | 68 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Barbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl)) | Flavan 3-ol | Catechin 3-O-benzoate |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | Gancaonin J |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl) | Dihydrochalcone | 3-Geranyl-4,2',4'-trihydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Linderatin |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavanone | Purpurin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH) | Flavone | Demethyltorosaflavone C |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin I |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Dihydroflavonol | Gericudranin E |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | 8-C-Methylvellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Rotenone |
| 0.000 | [Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe) | Rotenone | Myriconol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Deguelin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxyisomillettone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | Millettosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodihydrorotenone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin |
| Level: 3, プリカーサーm/z: 326.76746 |
| Splash: splash10-0a4i-0190000000-97d863e4bd05c7ef6ada |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 258.89 | 2018 | 68 | 1000 |
| 242.92 | 547 | 84 | 270 |
| 190.75 | 366 | 136 | 181 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Millettocalyxin A |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Milletenin C |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 7,8-Dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavone | Eucalyptin |
| 0.000 | [Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 5,7-Dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Demethoxykanugin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavonol | 3,5-Dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavan 3-ol | Broussinol |
| 0.000 | [Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Cuneatin methyl ether |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Fujikinetin methyl ether |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Maximaisoflavone D |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | 7,8-Dimethoxy-3',4'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Derrustone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Tlatlancuayin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Irisolone methyl ether |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH) | Isoflavan | Cyclomillinol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | 2-Hydroxyflemichapparin C |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Tephrosol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | Sophoracoumestan B |
| 0.000 | [6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none) | 6-Hydroxydehydrorotenone | Boeravinone A |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy)) | 4-phenylcoumarin | 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin |