ピーク情報
|
はつか大根 根
pos
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| Peak #2156 MN MID: SE202_S11_M90 |
| m/z: 435.12818, RT: 28.60, 強度: 86873, ログ強度: 1.49, 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: (20 names) Catechin 5-glucoside;Curculigoside B;6-C-Glucopyranosylcatechin;3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid;Coatline B;3-Hydroxyphlor... |
| DBごとのヒット数: ALL 18 KN 14 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.312 |
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 |
|---|---|---|---|---|
| C21H24O11 | 452.13186 | -0.867 | Catechin-5-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0010, FL63ACGS0011 HMDB: HMDB0037948 KNApSAcK: C00008846, C00008847 LipidMAPS: LMPK12020055, LMPK12020056 |
| C21H24O11 | 452.13186 | -0.867 | Curculigoside B | KNApSAcK: C00031703 |
| C21H24O11 | 452.13186 | -0.867 | 6-C-Glucopyranosylcatechin | FlavonoidViewer: FL63ACCS0001, FL63ACCS0003 HMDB: HMDB0037399, HMDB0037400 KNApSAcK: C00006356, C00006358 LipidMAPS: LMPK12020039, LMPK12020041 |
| C21H24O11 | 452.13186 | -0.867 | 3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid | HMDB: HMDB0130523 |
| C21H24O11 | 452.13186 | -0.867 | Coatline B | FlavonoidViewer: FL1DHXCS0002 KNApSAcK: C00006116 LipidMAPS: LMPK12120567 |
| C21H24O11 | 452.13186 | -0.867 | 3-Hydroxyphloretin 2'-O-glucoside | HMDB: HMDB0301672 |
| C21H24O11 | 452.13186 | -0.867 | 8-C-Glucopyranosylcatechin | FlavonoidViewer: FL63ACCS0002, FL63ACCS0004, FL63ACCS0005 HMDB: HMDB0037401, HMDB0037402, HMDB0039823 KNApSAcK: C00006357, C00006359, C00013256 LipidMAPS: LMPK12020040, LMPK12020042, LMPK12020043 |
| C21H24O11 | 452.13186 | -0.867 | Catechin-4-ol 3-O-alpha-L-rhamnopyranoside | FlavonoidViewer: FL6DACGS0003 KNApSAcK: C00009018 LipidMAPS: LMPK12020201 |
| C21H24O11 | 452.13186 | -0.867 | Sieboldin | FlavonoidViewer: FL1DACGS0001 KNApSAcK: C00007993 LipidMAPS: LMPK12120530 |
| C21H24O11 | 452.13186 | -0.867 | 6'-O-Galloylsalidroside | KNApSAcK: C00033581 |
| C21H24O11 | 452.13186 | -0.867 | Leucopelargonidin 3-O-glucoside | FlavonoidViewer: FL6DAAGS0001 KNApSAcK: C00009015 LipidMAPS: LMPK12020198 |
| C21H24O11 | 452.13186 | -0.867 | Catechin 7-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0016, FL63ACGS0017 HMDB: HMDB0037949 KNApSAcK: C00008852, C00008853 LipidMAPS: LMPK12020060, LMPK12020061 |
| C21H24O11 | 452.13186 | -0.867 | Aspalathin | FlavonoidViewer: FL1DACCS0001 HMDB: HMDB0030851 KNApSAcK: C00006096 LipidMAPS: LMPK12120529 |
| C21H24O11 | 452.13186 | -0.867 | Catechin 3'-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0019 HMDB: HMDB0029164, HMDB0037946 KNApSAcK: C00008855 LipidMAPS: LMPK12020063 |
| C21H24O11 | 452.13186 | -0.867 | Precarthamin | HMDB: HMDB0031967 |
| C21H24O11 | 452.13186 | -0.867 | Catechin 4'-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0020 KNApSAcK: C00008856 LipidMAPS: LMPK12020064 |
| C21H24O11 | 452.13186 | -0.867 | Catechin 3-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0002, FL63ACGS0005, FL63ACGS0006 HMDB: HMDB0037943 KNApSAcK: C00008838, C00008841, C00008842, C00033501 LipidMAPS: LMPK12020047, LMPK12020050, LMPK12020051 |
| C21H24O11 | 452.13186 | -0.867 | 7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) | HMDB: HMDB0034753 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.12802 |
| Splash: splash10-00di-0090000000-ed63e2d30fc2dc936fa1 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.06 | 1087 | 162 | 1000 |
| 417.23 | 76 | 18 | 69 |
| 150.96 | 66 | 284 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.077 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.077 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe) | beta-Hydroxy(or Oxodihydro)chalcone | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH) | Flavanone | Palodulcin B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Hemiphloin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Isohemiphloin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl))) | Flavone | Sinaticin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artobiloxanthone |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartobiloxanthone |
| 0.000 | [Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone II |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin A |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe) | Flavonol | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | Digicitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Mundulone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | Auriculin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Scandenin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpic acid |
| Level: 3, プリカーサーm/z: 273.06274 |
| Splash: splash10-0gba-0930000000-9d1209b5c3a34f828a4c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 119.04 | 212 | 154 | 1000 |
| 146.89 | 99 | 126 | 466 |
| 245.22 | 79 | 28 | 373 |
| 139.00 | 76 | 134 | 359 |
| 254.96 | 70 | 18 | 330 |
| 150.98 | 65 | 122 | 308 |
| 243.11 | 48 | 30 | 228 |
| 122.99 | 37 | 150 | 174 |
| 231.00 | 17 | 42 | 79 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.313 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.294 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.286 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.286 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.267 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.267 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.267 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.267 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.250 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.167 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.167 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.167 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.158 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.118 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.118 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.083 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.083 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.077 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.077 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.077 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.077 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |