ピーク情報
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イネ 葉 ニッポンバレ
pos
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| Peak #3627 MN MID: SE199_S41_M90 |
| m/z: 515.15505, RT: 45.16, 強度: 311476, ログ強度: 1.90, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (19 names) Orientin 2''-O-(2'''-methylbutyrate);Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl este... |
| DBごとのヒット数: ALL 12 KG 2 KN 8 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.240 |
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 |
|---|---|---|---|---|
| C26H28O12 | 532.15808 | 0.484 | 2''-O-(2'''-Methylbutyryl)orientin | FlavonoidViewer: FL3FACCS0063 KNApSAcK: C00014105 LipidMAPS: LMPK12110531 |
| C26H28O12 | 532.15808 | 0.484 | Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide) | FlavonoidViewer: FL3FFAGS0017 KNApSAcK: C00013646 LipidMAPS: LMPK12111355 |
| C26H28O12 | 532.15808 | 0.484 | LipidMAPS: LMPR0103540019 |
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| C26H28O12 | 532.15808 | 0.484 | Flavonol 3-O-D-xylosylglucoside | KEGG: C04068, C04193 |
| C26H28O12 | 532.15808 | 0.484 | Leptostachyol acetate | KNApSAcK: C00051246 |
| C26H28O12 | 532.15808 | 0.484 | Flavonol 3-O-D-xylosylglycoside | KEGG: C04069 |
| C26H28O12 | 532.15808 | 0.484 | Sinocrassoside B2 | KNApSAcK: C00032133 |
| C26H28O12 | 532.15808 | 0.484 | Antibiotic MM 44787 | KNApSAcK: C00017904 |
| C26H28O12 | 532.15808 | 0.484 | Styraxlignolide B | KNApSAcK: C00043931 |
| C26H28O12 | 532.15808 | 0.484 | Sesaminol glucoside | HMDB: HMDB0041209 |
| C26H28O12 | 532.15808 | 0.484 | 5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside | FlavonoidViewer: FL3FA9GM0001 KNApSAcK: C00013728 LipidMAPS: LMPK12110144 |
| C26H28O12 | 532.15808 | 0.484 | Luteolin 7-[6''-(2-methylbutyryl)glucoside] | FlavonoidViewer: FL3FACGS0066 KNApSAcK: C00004503 LipidMAPS: LMPK12110701 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 515.15460 |
| Splash: splash10-0006-0097300000-7614a97e03e03d84708b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.06 | 75639 | 272 | 1000 |
| 353.13 | 25672 | 162 | 339 |
| 381.22 | 23081 | 134 | 305 |
| 272.18 | 16495 | 243 | 218 |
| 461.18 | 10208 | 54 | 134 |
| 433.23 | 10005 | 82 | 132 |
| 443.14 | 9268 | 72 | 122 |
| 415.14 | 8311 | 100 | 109 |
| 325.10 | 7456 | 190 | 98 |
| 285.18 | 7429 | 230 | 98 |
| 352.13 | 6508 | 163 | 86 |
| 245.07 | 5386 | 270 | 71 |
| 324.10 | 5165 | 191 | 68 |
| 365.12 | 5040 | 150 | 66 |
| 323.25 | 4979 | 192 | 65 |
| 380.44 | 4725 | 135 | 62 |
| 308.23 | 4165 | 207 | 55 |
| 273.22 | 3975 | 242 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 243.02483 |
| Splash: splash10-0a4i-0920000000-11c1633e03ca06970f95 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 108.88 | 12856 | 134 | 1000 |
| 215.04 | 1868 | 28 | 145 |
| 211.08 | 1205 | 32 | 93 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavan]-A(1OH)-B(1OH) | Isoflavan | Equol |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(none) | Dihydrochalcone | 2',4'-Dihydroxydihydrochalcone |
| 0.000 | [Flavan]-A(1OH)-B(1OH) | Flavan | 7,4'-Dihydroxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(none) | Flavan | 5,7-Dihydroxyflavan |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(2OH) | 2-Phenylbenzofuran | 6,2',4'-Trihydroxy-2-phenylbenzofuran |
| Level: 3, プリカーサーm/z: 353.21991 |
| Splash: splash10-004r-0009000000-f69d653250c910b98e36 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 325.17 | 3699 | 28 | 1000 |
| 335.20 | 1953 | 18 | 527 |
| 321.21 | 876 | 32 | 236 |
| 293.23 | 596 | 60 | 161 |
| 338.22 | 445 | 15 | 120 |
| 307.21 | 303 | 46 | 81 |
| 322.20 | 238 | 31 | 64 |
| 259.08 | 203 | 94 | 54 |
| 179.14 | 186 | 174 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.240 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.240 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.240 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.240 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.188 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.188 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.167 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.167 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.158 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.158 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.158 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.158 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.158 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.158 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.120 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.120 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.111 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.095 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.095 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.091 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.067 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Edulenanol |
| 0.063 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephrosone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none) | 2'-Hydroxychalcone | Epoxyobovatachalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Demethylpraecanson B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclocommunol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3,5,6-Trimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Methylhildgardtol A |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Methylhildgardtol B |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Xuulanin |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavone | Crotarin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone A |
| 0.000 | [Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocin |
| 0.000 | [isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | isoflavene | Neorauflavene |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Edunol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautane |
| 0.000 | [Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH) | Coumestan | Psoralidin oxide |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumestan | Bavacoumestan B |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Coumestan | Bavacoumestan A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Elliptone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Erosone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxydolineone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin D |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH) | Coumaranochromon | Lupinalbin B |