ピーク情報
イネ 玄米 ニッポンバレ
pos
|
Peak #1331 MN MID: SE199_S21_M90 |
m/z: 438.98020, RT: 20.49, 強度: 8884, ログ強度: 0.55, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 5 |
DB検索結果: Perfluorooctane |
DBごとのヒット数: ALL 1 HM 1 |
FlavonoidSearch最大スコア MS2: 0.056, MS3: 0.094 |
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 |
---|---|---|---|---|
C8F18 | 437.97126 | 3.802 | Perfluorooctane | HMDB: HMDB0256326 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 438.98004 |
Splash: splash10-00di-0001900000-b375a257a3de09e5f74a |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
420.97 | 17156 | 18 | 1000 |
402.99 | 1779 | 36 | 103 |
332.98 | 1307 | 106 | 76 |
395.02 | 1067 | 44 | 62 |
377.02 | 879 | 62 | 51 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.056 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone D |
0.056 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone C |
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 |
0.056 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone E |
0.053 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH) | Flavanone | Amoradicin |
0.053 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Hiravanone |
0.053 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Flemiflavanone A |
0.053 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Maackiaflavanone |
0.037 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol E |
0.037 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol D |
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: 420.92245 |
Splash: splash10-0udi-0039000000-0606c1cb5c017776f2f5 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
304.92 | 2058 | 116 | 1000 |
359.03 | 546 | 62 | 265 |
333.03 | 455 | 88 | 220 |
286.90 | 443 | 134 | 215 |
314.95 | 421 | 106 | 204 |
402.96 | 420 | 18 | 204 |
377.02 | 403 | 44 | 195 |
242.95 | 402 | 178 | 195 |
270.95 | 306 | 150 | 148 |
244.98 | 224 | 176 | 108 |
198.99 | 176 | 222 | 85 |
226.95 | 149 | 194 | 72 |
348.97 | 112 | 72 | 54 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.094 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | 7-O-Methylisolupalbigenin |
0.074 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 3-Demethyldigicitrin |
0.045 | [Flavanone]-A(2OH)-B(2([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenol O |
0.000 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone D |
0.000 | [Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-methylbutadienyl)) | Flavanone | Burttinonedehydrate |
0.000 | [Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-acetoxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none) | Flavone | Glabratephrin |
0.000 | [Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | 5-O-Methylhoslundin |
0.000 | [Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-2-yl))-B(none) | Flavone | Oppositin |
0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(4-(2-Acetoxy-2-methylpropylidene)-5-oxofurano)))-B(none) | Flavone | Tephrorianin |
0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl)) | Flavone | Yinyanghuo A |
0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 3-substituted Flavone | Morusin |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavone | Brosimone G |
0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 3-substituted Flavone | Kuwanon B |
0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 3-substituted Flavone | Kuwanon A |
0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavone | Australone A |
0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Brosimone I |
0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomulberrin |
0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomulberrin |
0.000 | [Flavonol]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone I |
0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavonol | 5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone |
0.000 | [Flavan 3-ol]-A(1OMe, 1([7,8:@@]-(5,6-Dihydro-2-hydroxynaphthaleno)))-B(1OH, 1OMe) | Flavan 3-ol | Shanciol |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone C |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin D |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Isoflavone | Euchrenone b8 |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Isoflavone | Euchrenone b9 |
0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Pomiferin |
0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Auriculasin |
0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Gancaonin H |
0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Angustone B |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Isoflavone | Angustone C |
0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Auriculatin |
0.000 | [Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavan | Nitidulan |
0.000 | [Pterocarpan]-A(1OH, 1Geranyl)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducol |
0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Gangetin |
0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin F |
0.000 | [alpha-Phenylcoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | alpha-Phenylcoumarinic acid | Calophyllic acid |
Level: 3, プリカーサーm/z: 402.96365 |
Splash: splash10-052k-0049000000-36188201c9cc562fb413 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
358.90 | 186 | 44 | 1000 |
385.01 | 186 | 18 | 999 |
296.97 | 116 | 106 | 625 |
340.90 | 92 | 62 | 492 |
298.96 | 44 | 104 | 235 |
247.00 | 37 | 156 | 200 |
252.85 | 27 | 150 | 147 |
268.88 | 20 | 134 | 105 |
202.92 | 18 | 200 | 98 |
315.04 | 15 | 88 | 78 |
367.07 | 13 | 36 | 72 |
323.11 | 10 | 80 | 51 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.087 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
0.059 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
0.059 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
0.059 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
0.059 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
0.059 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
0.059 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
0.043 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | Paraibanol |
0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | 2'-Hydroxychalcone | 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone K |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Flavanone | Calomelanol I |
0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Flavanone | Calomelanol H |
0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH) | Flavone | Cerarvensin |
0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomollupentin |
0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Mollupentin |
0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl)) | Dihydroflavonol | Pinobanksin 3-O-cinnamate |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | Myricetin hexamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | 3,5,7,2',4',5'-Hexamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin hexamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Gossypetin hexamethyl ether |
0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OMe) | Flavonol | 3,5,6,7,8,4'-Hexamethoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Demethylmelibentin |
0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin D |
0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllum E |
0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Tomentolide A |