ピーク情報
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マカダミアナッツ いり 味付け
pos
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| Peak #6376 MN MID: SE118_S050311_M90 |
| m/z: 439.28470, RT: 85.22, 強度: 8428, ログ強度: 0.58, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (11 names) Blazeispirol X;(+)-Blazeispirol X;Anordrin;3-Methyl-sargaquinoic acid;Remangilone A;(+)-Remangilone A;Chabrolobenzoquinone B;Grevirobstol A;;Gerronemin F;Ochrolifuanine A |
| DBごとのヒット数: ALL 9 KG 1 KN 6 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.089, 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 |
|---|---|---|---|---|
| C28H38O4 | 438.27701 | 0.947 | Anordrin | HMDB: HMDB0248451 |
| C28H38O4 | 438.27701 | 0.947 | Blazeispirol X | KNApSAcK: C00036818 |
| C28H38O4 | 438.27701 | 0.947 | 3-Methyl-sargaquinoic acid | KNApSAcK: C00036557 |
| C28H38O4 | 438.27701 | 0.947 | Remangilone A | KNApSAcK: C00049287 |
| C28H38O4 | 438.27701 | 0.947 | Chabrolobenzoquinone B | KNApSAcK: C00042365, C00042367 |
| C28H38O4 | 438.27701 | 0.947 | Grevirobstol A | KNApSAcK: C00037216 |
| C28H38O4 | 438.27701 | 0.947 | LipidMAPS: LMPK13070033, LMPK13070036 |
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| C28H38O4 | 438.27701 | 0.947 | Gerronemin F | KNApSAcK: C00037182 |
| C28H38O4 | 438.27701 | 0.947 | 2â³-(5-hydroxy-3Râ²-methyl-3â²-geranylgeranyl-2H-chromen-1-yl)acetic acid | LipidMAPS: LMPR02020087, LMPR02020088 |
| C29H34N4 | 438.27835 | -2.104 | Ochrolifuanine A | KEGG: C09229 KNApSAcK: C00001754 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 439.28424 |
| Splash: splash10-0006-0729100000-b99d8a15a90e0ddfa663 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 343.24 | 1901 | 96 | 1000 |
| 177.08 | 1229 | 262 | 646 |
| 137.00 | 1148 | 302 | 603 |
| 315.22 | 873 | 124 | 458 |
| 191.15 | 675 | 248 | 354 |
| 357.27 | 583 | 82 | 306 |
| 421.46 | 535 | 18 | 281 |
| 205.10 | 430 | 234 | 226 |
| 163.06 | 393 | 276 | 206 |
| 219.22 | 386 | 220 | 202 |
| 151.04 | 329 | 288 | 172 |
| 339.38 | 276 | 100 | 145 |
| 329.28 | 261 | 110 | 137 |
| 244.11 | 230 | 195 | 120 |
| 420.42 | 220 | 19 | 115 |
| 243.22 | 199 | 196 | 104 |
| 356.38 | 159 | 83 | 83 |
| 355.42 | 158 | 84 | 83 |
| 301.32 | 139 | 138 | 73 |
| 245.13 | 127 | 194 | 66 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.103 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol E |
| 0.103 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavonol | Broussonol D |
| 0.097 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Isosophoranone |
| 0.097 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Sophoraisoflavanone B |
| 0.094 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH) | Flavanone | Amoradicin |
| 0.094 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Hiravanone |
| 0.094 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Flemiflavanone A |
| 0.061 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Maackiaflavanone |
| 0.030 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone D |
| 0.030 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone C |
| 0.030 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl)) | 2'-Hydroxychalcone | Antiarone E |
| 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: 343.24359 |
| Splash: splash10-014i-0691000000-4bc875f5059d9c3d509f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 219.19 | 539 | 124 | 1000 |
| 136.96 | 242 | 206 | 449 |
| 325.46 | 107 | 18 | 198 |
| 163.07 | 107 | 180 | 197 |
| 151.09 | 85 | 192 | 157 |
| 205.15 | 58 | 138 | 107 |
| 201.15 | 56 | 142 | 104 |
| 177.11 | 29 | 166 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,2',4',5'-Tetrahydroxyflavone |
| 0.077 | [Isoflavone]-A(1OMe)-B(3OMe) | Isoflavone | 7,2',4',5'-Tetramethoxyisoflavone |
| 0.077 | [Isoflavone]-A(2OMe)-B(2OMe) | Isoflavone | 6,7,3',4'-Tetramethoxyisoflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Zapotin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Cerrosillin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | 5,7,2',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Luteolin 5,7,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Norartocarpetin 5,7,2',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | Scutellarein 5,6,7,4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | 4',5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(none) | Flavone | 5,6,7,8-Tetramethoxyflavone |
| 0.000 | [Aurone]-A(2OMe)-B(2OMe) | Aurone | 4,6,3',4'-Tetramethoxyaurone |
| 0.000 | [Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone |
| 0.000 | [alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy)) | alpha-Methyl-beta-oxodihydrochalcone | Tinosporinone |
| 0.000 | [Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavanone | Brosimacutin C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(2OMe) | Flavone | 5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(2OMe) | Flavonol | Fisetin tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OMe) | Flavonol | Tetramethylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavonol | 8-Desmethylkalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,6,7-Tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavonol | 3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH) | Flavan 3-ol | Phyllocoumarin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dalpatein |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone F |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Isoflavone | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Isoiriskashmirianin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dipteryxine |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Squarrosin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskashmirianin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskumaonin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Platycarpanetin |
| 0.000 | [Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Leiocalycin |
| 0.000 | [Pterocarpene]-A(1OMe)-B(3OMe) | Pterocarpene | Bryacarpene 3 |
| 0.000 | [Rotenone]-A(1OMe)-B(2OMe) | Rotenone | Munduserone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | Sisafolin |