ピーク情報
|
タバコBY-2細胞 3日目
pos
|
| Peak #1501 MN MID: SE204_S03_M90 |
| m/z: 453.10011, RT: 37.14, 強度: 6750, ログ強度: 0.44, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide;Bispyribac |
| DBごとのヒット数: ALL 2 KG 1 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.273 |
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 |
|---|---|---|---|---|
| C20H19O4N4SF | 430.11110 | -0.509 | 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide | HMDB: HMDB0259494 |
| C19H18O8N4 | 430.11246 | -3.669 | Bispyribac | KEGG: C10915, [f]C18453 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 453.10007 |
| Splash: splash10-0a4i-0000900000-348af7f16d184a123750 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 409.10 | 12118 | 44 | 1000 |
| 367.14 | 645 | 86 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Dorsmanin D |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH) | 2'-Hydroxychalcone | Derrichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Kushenol D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none) | Dihydrochalcone | Chamuvaritin |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH) | Dihydrochalcone | Aspalathin |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH) | Dihydrochalcone alpha-ol | Coatline B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH) | Flavanone | Derriflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | 2'-Methoxykurarinone |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none) | Flavone | 9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavone | Epimedokoreanin A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | 3-substituted Flavone | Heteroartonin A |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Artonin S |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavonol | Broussoflavonol B |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 6-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 8-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavan 3-ol | Catechin 8-C-beta-D-galactoside |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ib |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ic |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl)) | Flavan 3-ol | Gallocatechin 3-O-p-coumarate |
| Level: 3, プリカーサーm/z: 409.10687 |
| Splash: splash10-014i-0049000000-fcb5b2b6f7b4803a63a2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 367.14 | 977 | 42 | 1000 |
| 391.11 | 420 | 18 | 429 |
| 204.97 | 364 | 204 | 372 |
| 226.90 | 355 | 182 | 363 |
| 394.16 | 50 | 15 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.273 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | 3-Hydroxyglabrol |
| 0.188 | [Flavanone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavanone | Abyssinone V |
| 0.188 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH) | Flavanone | 6,8-Diprenylnaringenin |
| 0.188 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | Euchrestaflavanone A |
| 0.188 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | Macarangaflavanone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Paratocarpin D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Bartericin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Bartericin D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Anthyllin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Bartericin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Bartericin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH) | 2'-Hydroxychalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1Geranyl) | 2'-Hydroxychalcone | Kuwanol D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Lavandulyl)-B(2OH) | 2'-Hydroxychalcone | Ammothamnidin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Cedrediprenone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | 3'-Geranylchalconaringenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin A |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Dihydrochalcone | 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Methyllinderatin |
| 0.000 | [Flavanone]-A(1OH, 1Lavandulyl)-B(2OH) | Flavanone | Lehmannin |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH) | Flavanone | Kushenol A |
| 0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(1OH) | Flavanone | Remangiflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH) | Flavanone | Bonannione A |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(1OH) | Flavanone | Sophoraflavanone A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1Geranyl) | Flavanone | Macarangaflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(1OH) | Flavanone | Leachianone E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Paratocarpin J |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Euchrenone a16 |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(1OH, 1OMe) | Flavone | Torosaflavone C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(none) | Dihydroflavonol | 6-Geranylpinobanksin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Formyl-2-hydroxyphenyl)) | Dihydroflavonol | 3'-(5''-formyl-2''-hydroxyphenyl)aromadendrin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavonol | 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone |
| 0.000 | [Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Flavonol | 8-p-Hydroxybenzylquercetin |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ferrugone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ichthynone |
| 0.000 | [Isoflavone]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | 5-Methoxydurmillone |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | 2-Prenyl-6a-hydroxyphaseollidin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydroamorphigenin |
| 0.000 | [Dehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Villosol |
| 0.000 | [Dehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Dehydrorotenone | Dehydrotoxicarol |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxydehydrorotenone | Amorpholone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin 4-methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 4-Hydroxy-3-phenylcoumarin | Glabrescin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Thonningine B |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1Isobutyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1Butyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none) | 4-phenylcoumarin | 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| Level: 3, プリカーサーm/z: 367.07193 |
| Splash: splash10-0a4i-0291000000-88e520a506c8473c61f8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 205.03 | 14 | 162 | 1000 |
| 184.99 | 3 | 182 | 223 |
| 351.93 | 2 | 15 | 112 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavone | Racemoflavone |
| 0.167 | [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 |
| 0.125 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavonol | 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether |
| 0.083 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 2'-Hydroxychalcone | Glychalcone A |
| 0.083 | [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 |
| 0.083 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 3,4-Dimethoxylonchocarpin |
| 0.077 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone III |
| 0.077 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | Glyflavanone A |
| 0.050 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Barpisoflavone C |
| 0.050 | [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 | [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 |