ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #5446 MN MID: SE199_S21_M90 |
| m/z: 534.36420, RT: 87.12, 強度: 379868, ログ強度: 2.18, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (2 names) 1-(9Z,12Z-octadecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol;27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol |
| DBごとのヒット数: ALL 2 LM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.062 |
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 |
|---|---|---|---|---|
| C27H48O9 | 516.32983 | 1.051 | 1-(9Z,12Z-octadecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol | LipidMAPS: LMGL04010010 |
| C27H48O9 | 516.32983 | 1.051 | 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol | LipidMAPS: LMST01031078 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 534.36310 |
| Splash: splash10-0a6s-0002900000-7dab57a04a5af5e34779 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 407.19 | 3437 | 127 | 1000 |
| 425.31 | 3322 | 109 | 966 |
| 499.16 | 3060 | 35 | 890 |
| 389.34 | 1607 | 145 | 467 |
| 371.26 | 916 | 163 | 266 |
| 424.69 | 416 | 110 | 121 |
| 516.90 | 247 | 17 | 71 |
| 353.36 | 234 | 181 | 68 |
| 516.23 | 202 | 18 | 58 |
| 355.03 | 190 | 179 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 425.30786 |
| Splash: splash10-0a4i-0006900000-ccb7d7bf5cd99e778610 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 407.34 | 631 | 18 | 1000 |
| 389.33 | 247 | 36 | 391 |
| 371.28 | 160 | 54 | 252 |
| 291.29 | 38 | 134 | 60 |
| 353.32 | 35 | 72 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.063 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH) | Dihydroflavonol | 6,8-diprenylaromadendrin |
| 0.063 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | Lespedezaflavanone C |
| 0.056 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Monotesone B |
| 0.056 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | 6,8-Diprenyleriodictyol |
| 0.056 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavanone | Kushenol E |
| 0.056 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Sigmoidin A |
| 0.056 | [Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl)) | Flavanone | Abyssinin III |
| 0.056 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavanone | 3'-Dimethylallylkievitone |
| 0.056 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Gancaonin E |
| 0.056 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | 5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone |
| 0.056 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavanone | Lespedezaflavanone D |
| 0.000 | [Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavone | 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | 2'-Hydroxychalcone | Angusticornin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano))) | 2'-Hydroxychalcone | Paratocarpin G |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephropurpurin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin F |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none) | Dihydrochalcone | Adunctin E |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helihumulone |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Exiguaflavanone A |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Exiguaflavanone L |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Lupiniol A1 |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Flavanone | Lupiniol B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl)) | Flavanone | Flemiflavanone D |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol C |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Lonchocarpol D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Diplacone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Propolin D |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Isonymphaeol B |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin J |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Dorsmanin E |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl)) | Flavanone | 5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | Sanggenol A |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Geranyl) | Flavanone | 5'-Geranylsteppogenin |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(2OH) | Flavanone | Sophoraflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Kushenol F |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(2OH) | Flavanone | Sophoraflavanone G |
| 0.000 | [Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH) | Flavanone | Remangiflavanone B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH) | Flavanone | Leachianone F |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH) | Dihydroflavonol | Bonanniol A |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl)) | Dihydroflavonol | Hypnum acid |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(2OH) | Flavan 3-ol | 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Isoflavanone]-A(2OH, 1Geranyl)-B(2OH) | Isoflavanone | 6-Geranyldalbergioidin |
| 0.000 | [Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavan | Licoricidin |
| 0.000 | [Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Erythynone |
| 0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Methoxyrotenone |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 6-Hydroxydehydrorotenone | 6-Hydroxy-6a,12a-dehydro-alpha-toxicarol |
| Level: 3, プリカーサーm/z: 407.19116 |
| Splash: splash10-00dr-0019000000-f44e9f6909e3cd5f6f98 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 389.26 | 509 | 18 | 1000 |
| 371.37 | 491 | 36 | 965 |
| 353.30 | 126 | 54 | 247 |
| 321.32 | 117 | 86 | 229 |
| 303.38 | 91 | 104 | 179 |
| 273.17 | 91 | 134 | 178 |
| 305.25 | 51 | 102 | 100 |
| 347.37 | 47 | 60 | 93 |
| 317.34 | 42 | 90 | 83 |
| 333.39 | 42 | 74 | 81 |
| 315.30 | 40 | 92 | 78 |
| 279.38 | 40 | 128 | 77 |
| 291.33 | 39 | 116 | 76 |
| 307.25 | 38 | 100 | 75 |
| 261.25 | 35 | 146 | 68 |
| 325.34 | 32 | 82 | 63 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.138 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Lupalbigenin |
| 0.138 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | Isolupalbigenin |
| 0.138 | [Isoflavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Isoflavone | 3',5'-Diprenylgenistein |
| 0.138 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH) | Isoflavone | 6,8-Diprenylgenistein |
| 0.103 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Gancaonin Q |
| 0.103 | [Flavone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Flavone | Honyucitrin |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Erycristin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | 2'-Hydroxychalcone | Flemiwallichin D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin F |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Angusticornin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4,5]chalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 2,4,2'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4',5']chalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Flemingin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none) | 2'-Hydroxychalcone | Flemiwallichin F |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Flemingin D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | 2'-Hydroxychalcone | 2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Sericone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin C |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Glycyrdione B |
| 0.000 | [UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 2(C-Prenyl))-B(none) | UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone | Tunicatachalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropyl-7a-methyl-3a,4,5,7a-tetrahydrobenzofurano)))-B(none) | Dihydrochalcone | Adunctin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(8-Isopropyl-1-oxaspiro[4.5]-2,6-decadieno)))-B(none) | Dihydrochalcone | Adunctin C |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Grenoblone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Minimiflorin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Cajaflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Lupinifolin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Euchrenone a2 |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Paratocarpin H |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Paratocarpin I |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | Flavanone | Cycloaltilisin 7 |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(1OH)-B(2OH) | 3-substituted Flavone | Rubraflavone A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | Hoslundin |
| 0.000 | [Flavone]-A(2OH)-B(1OH, 1Geranyl) | Flavone | Kuwanone S |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | Kanzonol Z |
| 0.000 | [Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | Mundulinol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,6,8,2'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1OMe) | Isoflavan | Heminitidulan |
| 0.000 | [6-Oxodehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Oxodehydrorotenone | Rotenonone |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isovaleryl)-B(none) | 4-phenylcoumarin | Mammeisin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1(2-Methylbutyroyl))-B(none) | 4-phenylcoumarin | 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isovaleryl)-B(none) | 4-phenylcoumarin | Mammea A/BA |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1(2-Methylbutyroyl))-B(none) | 4-phenylcoumarin | Mammea A/BB |