ピーク情報
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イネ 葉 ニッポンバレ
pos
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| Peak #5162 MN MID: SE199_S41_M90 |
| m/z: 509.14475, RT: 54.30, 強度: 352518, ログ強度: 1.96, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (16 names) Salcolin A;Itoside F;(-)-Itoside F;Itoside H;(-)-Itoside H;Itoside G;(-)-Itoside G;Patentiflorin A;(-)-Patentiflorin A;Viscutin 1;Acutissimalignan A;(+)-Acutissimalignan A;Itoside E;(-)-Itoside E;(-)-... |
| DBごとのヒット数: ALL 9 KN 9 |
| FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.083 |
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 |
|---|---|---|---|---|
| C27H26O11 | 526.14751 | 1.001 | Itoside F | KNApSAcK: C00039465 |
| C27H26O11 | 526.14751 | 1.001 | Salcolin A | KNApSAcK: C00042924, C00042925 |
| C27H26O11 | 526.14751 | 1.001 | Itoside G | KNApSAcK: C00039466 |
| C27H26O11 | 526.14751 | 1.001 | Itoside H | KNApSAcK: C00039467 |
| C27H26O11 | 526.14751 | 1.001 | Patentiflorin A | KNApSAcK: C00042832 |
| C27H26O11 | 526.14751 | 1.001 | Viscutin 1 | FlavonoidViewer: FL6FACGS0002 KNApSAcK: C00008766 LipidMAPS: LMPK12020265 |
| C27H26O11 | 526.14751 | 1.001 | Acutissimalignan A | KNApSAcK: C00038357 |
| C27H26O11 | 526.14751 | 1.001 | Itoside E | KNApSAcK: C00039464 |
| C28H22O7N4 | 526.14885 | -1.541 | (-)-Indocarbazostatin B | KNApSAcK: C00015229 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 509.14432 |
| Splash: splash10-0006-0001900000-535f0332cb62751c436a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 491.22 | 49416 | 18 | 1000 |
| 463.17 | 14985 | 46 | 303 |
| 459.19 | 9241 | 50 | 187 |
| 492.30 | 7567 | 17 | 153 |
| 479.24 | 7266 | 30 | 147 |
| 331.18 | 6145 | 178 | 124 |
| 355.15 | 5292 | 154 | 107 |
| 476.25 | 4901 | 33 | 99 |
| 473.26 | 3798 | 36 | 76 |
| 464.27 | 3363 | 45 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl)) | Dihydroflavonol | Petalostemumol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH, 1Geranyl) | Flavanone | Tanariflavanone A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone J |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(3OH) | Flavanone | Tomentosanol E |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol M |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl) | Dihydroflavonol | Sanggenol K |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH, 1(C-Prenyl), 1Geranyl) | Dihydroflavonol | Sanggenol D |
| Level: 3, プリカーサーm/z: 491.22217 |
| Splash: splash10-0a6r-0000900000-91f6a18d27db02b875ae |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 459.12 | 10691 | 32 | 1000 |
| 476.17 | 9063 | 15 | 847 |
| 473.20 | 4551 | 18 | 425 |
| 460.27 | 3051 | 31 | 285 |
| 331.19 | 2517 | 160 | 235 |
| 463.18 | 1651 | 28 | 154 |
| 477.22 | 1501 | 14 | 140 |
| 431.24 | 903 | 60 | 84 |
| 355.23 | 878 | 136 | 82 |
| 474.26 | 611 | 17 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavone | Dorsilurin A |
| 0.080 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | Euchrenone b2 |
| 0.067 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe) | Flavone | Isoorientin 7,3',4'-trimethyl ether |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(1-(2-Hydroxy-5-methoxycarbonylphenyl)-3-methylbut-2-enyl))-B(none) | Dihydrochalcone | Piperaduncin A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none) | Flavanone | 8-Prenyllepidissipyrone |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Amorinin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Flavanone | Amoridin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavanone | Tanariflavanone B |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a6 |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 6''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 6''-O-acetate |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH, 2(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artelasticin |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Rubraflavone C |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artocommunol CD |
| 0.000 | [Flavone]-A(2OH, 1Farnesyl)-B(2OH) | Flavone | Moralbanone |
| 0.000 | [UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone ([2,3:4,3]-(6,6-Dimethyldihydropyrano))]-A(2([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone | Dorsilurin E |
| 0.000 | [Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Isoflavone | Orobol 6-C-(6''-acetylglucoside) |
| 0.000 | [Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Isoflavone | Orobol 8-C-(6''-acetylglucoside) |
| Level: 3, プリカーサーm/z: 463.20453 |
| Splash: splash10-0002-0000900000-4704f77ba39701d3c182 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 448.20 | 5971 | 15 | 1000 |
| 447.20 | 4395 | 16 | 736 |
| 449.23 | 1038 | 14 | 173 |
| 463.18 | 783 | 0 | 131 |
| 402.23 | 674 | 61 | 112 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.429 | [Flavone]-A(4OMe)-B(4OMe) | Flavone | Agehoustin A |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 6-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Swertiajaponin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 8-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Parkinsonin A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Isoswertiajaponin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavonol | Keyakinin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Dalpanitin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helilupolone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH) | Flavonol | 6-C-Rhamnopyranosylrhamnetin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Exoticin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Purpurascenin |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol E |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol Q |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin | Malvidin 4-vinylcatechol |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b3 |