ピーク情報
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タバコBY-2細胞 3日目
pos
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| Peak #1468 MN MID: SE204_S03_M90 |
| m/z: 457.11155, RT: 35.32, 強度: 2144, ログ強度: -0.06, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 14 |
| DB検索結果: (7 names) Flavin mononucleotide;3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;Pinnatifinoside B;(+)-Pinnatifinoside B;Epicatechin 3-O-(4-methylgallate);Epicatechin 3-O-(3-O-methylgal... |
| DBごとのヒット数: ALL 6 KG 1 KN 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.118 |
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 |
|---|---|---|---|---|
| C17H21O9N4P | 456.10462 | -0.762 | FMN | HMDB: HMDB0001520, [-1f]HMDB0303285 KEGG: C00061 KNApSAcK: C00019686 |
| C23H20O10 | 456.10565 | -3.021 | 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | FlavonoidViewer: FL5FFANS0024 KNApSAcK: C00013545 LipidMAPS: LMPK12113172 |
| C23H20O10 | 456.10565 | -3.021 | Pinnatifinoside B | KNApSAcK: C00037649, C00037650, C00037651 |
| C23H20O10 | 456.10565 | -3.021 | Epicatechin 3-O-(4-O-methylgallate) | FlavonoidViewer: FL63ACNS0010 HMDB: HMDB0039328 KNApSAcK: C00008870 LipidMAPS: LMPK12020094 |
| C23H20O10 | 456.10565 | -3.021 | Epicatechin 3-O-(3-O-methylgallate) | FlavonoidViewer: FL63ACNS0009 HMDB: HMDB0037945 KNApSAcK: C00008869 LipidMAPS: LMPK12020093 |
| C23H20O10 | 456.10565 | -3.021 | Epigallocatechin 3-O-vanillate | FlavonoidViewer: FL63AGNS0016 KNApSAcK: C00008903 LipidMAPS: LMPK12020132 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 457.11160 |
| Splash: splash10-000i-0000900000-cd2e1eac3bd69035bd62 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 439.09 | 6395 | 18 | 1000 |
| 411.04 | 995 | 46 | 155 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl)) | Flavan 3-ol | Gallocatechin 3-O-vanillate |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl)) | Flavan 3-ol | Catechin 3-O-(3-O-methylgallate) |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl)) | Flavan 3-ol | Catechin 3-O-(4-O-methylgallate) |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH) | 2'-Hydroxychalcone | Kuraridinol |
| 0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl)) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone J |
| 0.000 | [Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH) | Flavanone | Kushenol Q |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe) | Flavanone | Kushenol P |
| 0.000 | [Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH) | Flavonol | Kushenol G |
| 0.000 | [Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone M |
| Level: 3, プリカーサーm/z: 439.10110 |
| Splash: splash10-00di-0009700000-a98dfe8c29ac6b61198e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 421.16 | 2426 | 18 | 1000 |
| 359.14 | 1147 | 80 | 472 |
| 341.06 | 948 | 98 | 390 |
| 396.10 | 663 | 43 | 273 |
| 243.10 | 169 | 196 | 69 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone D |
| 0.118 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone C |
| 0.118 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone E |
| 0.111 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH) | Flavanone | Amoradicin |
| 0.111 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Hiravanone |
| 0.111 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Flemiflavanone A |
| 0.111 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Maackiaflavanone |
| 0.077 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol E |
| 0.077 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol D |
| 0.056 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Isosophoranone |
| 0.056 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Sophoraisoflavanone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH) | 2'-Hydroxychalcone | Homoflemingin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH) | 2'-Hydroxychalcone | Flemiwallichin C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(2OH) | 2'-Hydroxychalcone | Kuraridin |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH) | Flavanone | Exiguaflavanone B |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH) | Flavanone | Exiguaflavanone F |
| 0.000 | [Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-Hydroxy-3-methyl-1-butenyl)) | Flavanone | Burttinone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(1-Hydroxy-3-methyl-2,3-epoxybutyl))-B(1OH) | Flavanone | 1'''-Hydroxy-2''',3'''-Epoxylupinifolin |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH, 1OMe) | Flavanone | 4'-O-Methyldiplacone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Flavanone | 5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | Isokurarinone |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | Leachianone A |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH) | Flavanone | Kurarinone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(1OH, 1OMe) | Flavanone | Leachianone B |
| 0.000 | [Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Flavone | 6,3'-(2-hydroxy-3-methyl-3-butenyl)apigenin |
| 0.000 | [3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 3-substituted Flavone | Morusinol |
| 0.000 | [3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 3-substituted Flavone | Morusignin L |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Geranyl)-B(1OH) | Dihydroflavonol | Bonanniol B |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl)) | Dihydroflavonol | Hypnum acid methyl este |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol C |
| 0.000 | [Flavonol]-A(2OH, 1Lavandulyl)-B(2OH) | Flavonol | Kushenol C |
| 0.000 | [Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | Lupinisol B |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Isoflavone | Lupinisol C |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH, 1(C-Prenyl)) | Isoflavone | Lupinisoflavone H |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone I |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone J |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Lupinisolone B |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Lupinisolone C |
| 0.000 | [Isoflavan]-A(2OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavan | Licorisoflavan A |
| 0.000 | [6-Hydroxydehydrorotenone (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxydehydrorotenone | Villinol |
| Level: 3, プリカーサーm/z: 411.01202 |
| Splash: splash10-0006-0009000000-964998d294a4ecef1751 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 393.03 | 434 | 18 | 1000 |
| 334.95 | 135 | 76 | 310 |
| 374.97 | 41 | 36 | 93 |
| 344.99 | 26 | 66 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.042 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Toxicarolisoflavone |
| 0.036 | [Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe) | Isoflavone | Prebarbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Catechin 3-O-p-hydroxybenzoate |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongapinone A |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl) | Dihydrochalcone | 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydrochalcone alpha-ol | Kanzonol Y |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin B |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Flavonol | Velloquercetin 3,3',4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Preferrugone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Pre-5-methoxydurmillone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Rotenone | Amorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Sumatrol |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Toxicarol |
| 0.000 | [6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | 6-Hydroxyrotenone | 2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | Tephrosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodalpanol |