ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #3739 MN MID: SE203_S11_M90 |
| m/z: 435.12849, RT: 38.36, 強度: 9512, ログ強度: 0.41, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (48 names) Robustaside B;(-)-Robustaside B;Floribundoside;6-C-Glucosylnaringenin;7-Hydroxyaloin B;5,7,8-Trihydroxyflavanone 7-glucoside;Fustin 7-rhamnoside;Coreopsin;Isocarthamidin 7-O-rhamnoside;Agehoustin D;Is... |
| DBごとのヒット数: ALL 44 KG 4 KN 36 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.100, MS3: - |
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 |
|---|---|---|---|---|
| C21H22O10 | 434.12130 | -0.182 | Robustaside B | KNApSAcK: C00037740 |
| C21H22O10 | 434.12130 | -0.182 | Floribundoside | FlavonoidViewer: FL2FAAGS0004 HMDB: HMDB0033739 KNApSAcK: C00008204 LipidMAPS: LMPK12140238 |
| C21H22O10 | 434.12130 | -0.182 | Hemiphloin | FlavonoidViewer: FL2FAACS0001 KNApSAcK: C00006091 LipidMAPS: LMPK12140223 |
| C21H22O10 | 434.12130 | -0.182 | 7-Hydroxyaloin B | HMDB: HMDB0041150 |
| C21H22O10 | 434.12130 | -0.182 | 5,7,8-Trihydroxyflavanone 7-glucoside | HMDB: HMDB0038775 |
| C21H22O10 | 434.12130 | -0.182 | Fustin 7-rhamnoside | FlavonoidViewer: FL4D1CGS0002 HMDB: HMDB0040536 KNApSAcK: C00008687 |
| C21H22O10 | 434.12130 | -0.182 | Coreopsin | FlavonoidViewer: FL1C1CGS0001 KNApSAcK: C00007218 LipidMAPS: LMPK12120101 |
| C21H22O10 | 434.12130 | -0.182 | Isocarthamidin 7-O-rhamnoside | FlavonoidViewer: FL2FFAGS0001 KNApSAcK: C00008487 LipidMAPS: LMPK12140664 |
| C21H22O10 | 434.12130 | -0.182 | Agehoustin D | FlavonoidViewer: FL3FGLNS0006 KNApSAcK: C00003980 LipidMAPS: LMPK12111504 |
| C21H22O10 | 434.12130 | -0.182 | Isookaninrhamnoside | FlavonoidViewer: FL2F3CGS0002 KNApSAcK: C00008283 LipidMAPS: LMPK12140093 |
| C21H22O10 | 434.12130 | -0.182 | Isoengeletin | FlavonoidViewer: FL4DAAGS0004, FL4DAAGS0005 HMDB: HMDB0303603 KNApSAcK: C00008672, C00008673 |
| C21H22O10 | 434.12130 | -0.182 | Eriodictyol 5-O-rhamnoside | FlavonoidViewer: FL2FACGS0002 KNApSAcK: C00008289 LipidMAPS: LMPK12140360 |
| C21H22O10 | 434.12130 | -0.182 | 5-Hydroxyaloin A | HMDB: HMDB0040832 |
| C21H22O10 | 434.12130 | -0.182 | Isoinnovanoside | KNApSAcK: C00035663 |
| C21H22O10 | 434.12130 | -0.182 | Chalconaringenin 4-glucoside | FlavonoidViewer: FL1CAAGS0001 KNApSAcK: C00007878 LipidMAPS: LMPK12120247 |
| C21H22O10 | 434.12130 | -0.182 | 4'-Hydroxyfenoprofen glucuronide | HMDB: HMDB0060772 |
| C21H22O10 | 434.12130 | -0.182 | 2-O-trans-Caffeoylarbutin | HMDB: HMDB0031347 KNApSAcK: C00054559 |
| C21H22O10 | 434.12130 | -0.182 | (2S)-5,6,7-Trihydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FE9GS0003 KNApSAcK: C00014315 LipidMAPS: LMPK12140607 |
| C21H22O10 | 434.12130 | -0.182 | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone | FlavonoidViewer: FL5FGGNS0011 KNApSAcK: C00004868 LipidMAPS: LMPK12113367 |
| C21H22O10 | 434.12130 | -0.182 | Robustaside D | KNApSAcK: C00037742 |
| C21H22O10 | 434.12130 | -0.182 | Rumejaposide E | KNApSAcK: C00034664 |
| C21H22O10 | 434.12130 | -0.182 | Eriodictin | FlavonoidViewer: FL2FACGS0005 HMDB: HMDB0037480 KNApSAcK: C00008292 LipidMAPS: LMPK12140363 |
| C21H22O10 | 434.12130 | -0.182 | Naringenin 7-O-beta-D-glucoside | FlavonoidViewer: FL2FAAGS0003 HMDB: HMDB0246916 KEGG: C09099 KNApSAcK: C00000998 LipidMAPS: LMPK12140237 |
| C21H22O10 | 434.12130 | -0.182 | Palodulcin B | FlavonoidViewer: FL2F1CCS0001 KNApSAcK: C00006113 LipidMAPS: LMPK12140064 |
| C21H22O10 | 434.12130 | -0.182 | Isocoreopsin | FlavonoidViewer: FL2F1CGS0003 KNApSAcK: C00008279 LipidMAPS: LMPK12140067 |
| C21H22O10 | 434.12130 | -0.182 | 2',4',6',beta-Tetrahydroxychalcone 4'-glucoside | FlavonoidViewer: FL1CHYGS0002 KNApSAcK: C00007891 LipidMAPS: LMPK12120369 |
| C21H22O10 | 434.12130 | -0.182 | Isohemiphloin | FlavonoidViewer: FL2FAACS0002 KEGG: C16492 KNApSAcK: C00006092 LipidMAPS: LMPK12140224 |
| C21H22O10 | 434.12130 | -0.182 | 2',4',6',beta-Tetrahydroxychalcone 2'-glucoside | FlavonoidViewer: FL1CHYGS0001 KNApSAcK: C00007890 LipidMAPS: LMPK12120368 |
| C21H22O10 | 434.12130 | -0.182 | Naringenin 4'-O-glucoside | FlavonoidViewer: FL2FAAGS0008, FL2FAAGS0009 KNApSAcK: C00008208, C00008209 LipidMAPS: LMPK12140242, LMPK12140243 |
| C21H22O10 | 434.12130 | -0.182 | Dihydrogenistin | HMDB: HMDB0039935 KNApSAcK: C00018998 |
| C21H22O10 | 434.12130 | -0.182 | Digicitrin | FlavonoidViewer: FL5FGGNS0010 KNApSAcK: C00004867 LipidMAPS: LMPK12113366 |
| C21H22O10 | 434.12130 | -0.182 | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone | FlavonoidViewer: FL5FGLNS0012 KNApSAcK: C00004856 LipidMAPS: LMPK12113385 |
| C21H22O10 | 434.12130 | -0.182 | Marsuposide | KNApSAcK: C00051493 |
| C21H22O10 | 434.12130 | -0.182 | Chalconaringenin 4'-glucoside | FlavonoidViewer: FL1CAAGS0005 KEGG: C16407 KNApSAcK: C00007882 LipidMAPS: LMPK12120251 |
| C21H22O10 | 434.12130 | -0.182 | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone | FlavonoidViewer: FL5FGLNS0011 KNApSAcK: C00004855 LipidMAPS: LMPK12113384 |
| C21H22O10 | 434.12130 | -0.182 | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone | FlavonoidViewer: FL5FGGNS0009 KNApSAcK: C00004866 LipidMAPS: LMPK12113365 |
| C21H22O10 | 434.12130 | -0.182 | 5,7,2'-Trihydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FA8GS0003 KNApSAcK: C00008414 LipidMAPS: LMPK12140108 |
| C21H22O10 | 434.12130 | -0.182 | 10-Hydroxyaloin B | KNApSAcK: C00044047 |
| C21H22O10 | 434.12130 | -0.182 | Isosalipurposide | FlavonoidViewer: FL1CAAGS0004 KEGG: C16406 KNApSAcK: C00007881 LipidMAPS: LMPK12120250 |
| C21H22O10 | 434.12130 | -0.182 | Schoenoside | KNApSAcK: C00019245 |
| C21H22O10 | 434.12130 | -0.182 | Monospermoside | FlavonoidViewer: FL1C1AGS0007 KNApSAcK: C00007189 LipidMAPS: LMPK12120026 |
| C21H22O10 | 434.12130 | -0.182 | Aromadendrin 7-rhamnoside | FlavonoidViewer: FL4DAAGS0007 KNApSAcK: C00008675 |
| C21H22O10 | 434.12130 | -0.182 | Isomonospermoside | FlavonoidViewer: FL2F1CGS0002 KNApSAcK: C00008278 LipidMAPS: LMPK12140066 |
| C21H22O10 | 434.12130 | -0.182 | Lecontin | FlavonoidViewer: FL4D1AGS0001 KNApSAcK: C00008667 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.12839 |
| Splash: splash10-00di-0090000000-592a93799d5a9a05ea67 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.10 | 11026 | 162 | 1000 |
| 417.24 | 744 | 18 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.083 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.083 | [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 |