ピーク情報
トマト Micro-Tom 成熟果実の果肉
pos
|
Peak #7055 MN MID: SE203_S21_M90 |
m/z: 435.12903, RT: 49.80, 強度: 143615, ログ強度: 1.68, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 7 |
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: 0.143 |
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 | 1.056 | Robustaside B | KNApSAcK: C00037740 |
C21H22O10 | 434.12130 | 1.056 | Floribundoside | FlavonoidViewer: FL2FAAGS0004 HMDB: HMDB0033739 KNApSAcK: C00008204 LipidMAPS: LMPK12140238 |
C21H22O10 | 434.12130 | 1.056 | Hemiphloin | FlavonoidViewer: FL2FAACS0001 KNApSAcK: C00006091 LipidMAPS: LMPK12140223 |
C21H22O10 | 434.12130 | 1.056 | 7-Hydroxyaloin B | HMDB: HMDB0041150 |
C21H22O10 | 434.12130 | 1.056 | 5,7,8-Trihydroxyflavanone 7-glucoside | HMDB: HMDB0038775 |
C21H22O10 | 434.12130 | 1.056 | Fustin 7-rhamnoside | FlavonoidViewer: FL4D1CGS0002 HMDB: HMDB0040536 KNApSAcK: C00008687 |
C21H22O10 | 434.12130 | 1.056 | Coreopsin | FlavonoidViewer: FL1C1CGS0001 KNApSAcK: C00007218 LipidMAPS: LMPK12120101 |
C21H22O10 | 434.12130 | 1.056 | Isocarthamidin 7-O-rhamnoside | FlavonoidViewer: FL2FFAGS0001 KNApSAcK: C00008487 LipidMAPS: LMPK12140664 |
C21H22O10 | 434.12130 | 1.056 | Agehoustin D | FlavonoidViewer: FL3FGLNS0006 KNApSAcK: C00003980 LipidMAPS: LMPK12111504 |
C21H22O10 | 434.12130 | 1.056 | Isookaninrhamnoside | FlavonoidViewer: FL2F3CGS0002 KNApSAcK: C00008283 LipidMAPS: LMPK12140093 |
C21H22O10 | 434.12130 | 1.056 | Isoengeletin | FlavonoidViewer: FL4DAAGS0004, FL4DAAGS0005 HMDB: HMDB0303603 KNApSAcK: C00008672, C00008673 |
C21H22O10 | 434.12130 | 1.056 | Eriodictyol 5-O-rhamnoside | FlavonoidViewer: FL2FACGS0002 KNApSAcK: C00008289 LipidMAPS: LMPK12140360 |
C21H22O10 | 434.12130 | 1.056 | 5-Hydroxyaloin A | HMDB: HMDB0040832 |
C21H22O10 | 434.12130 | 1.056 | Isoinnovanoside | KNApSAcK: C00035663 |
C21H22O10 | 434.12130 | 1.056 | Chalconaringenin 4-glucoside | FlavonoidViewer: FL1CAAGS0001 KNApSAcK: C00007878 LipidMAPS: LMPK12120247 |
C21H22O10 | 434.12130 | 1.056 | 4'-Hydroxyfenoprofen glucuronide | HMDB: HMDB0060772 |
C21H22O10 | 434.12130 | 1.056 | 2-O-trans-Caffeoylarbutin | HMDB: HMDB0031347 KNApSAcK: C00054559 |
C21H22O10 | 434.12130 | 1.056 | (2S)-5,6,7-Trihydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FE9GS0003 KNApSAcK: C00014315 LipidMAPS: LMPK12140607 |
C21H22O10 | 434.12130 | 1.056 | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone | FlavonoidViewer: FL5FGGNS0011 KNApSAcK: C00004868 LipidMAPS: LMPK12113367 |
C21H22O10 | 434.12130 | 1.056 | Robustaside D | KNApSAcK: C00037742 |
C21H22O10 | 434.12130 | 1.056 | Rumejaposide E | KNApSAcK: C00034664 |
C21H22O10 | 434.12130 | 1.056 | Eriodictin | FlavonoidViewer: FL2FACGS0005 HMDB: HMDB0037480 KNApSAcK: C00008292 LipidMAPS: LMPK12140363 |
C21H22O10 | 434.12130 | 1.056 | Naringenin 7-O-beta-D-glucoside | FlavonoidViewer: FL2FAAGS0003 HMDB: HMDB0246916 KEGG: C09099 KNApSAcK: C00000998 LipidMAPS: LMPK12140237 |
C21H22O10 | 434.12130 | 1.056 | Palodulcin B | FlavonoidViewer: FL2F1CCS0001 KNApSAcK: C00006113 LipidMAPS: LMPK12140064 |
C21H22O10 | 434.12130 | 1.056 | Isocoreopsin | FlavonoidViewer: FL2F1CGS0003 KNApSAcK: C00008279 LipidMAPS: LMPK12140067 |
C21H22O10 | 434.12130 | 1.056 | 2',4',6',beta-Tetrahydroxychalcone 4'-glucoside | FlavonoidViewer: FL1CHYGS0002 KNApSAcK: C00007891 LipidMAPS: LMPK12120369 |
C21H22O10 | 434.12130 | 1.056 | Isohemiphloin | FlavonoidViewer: FL2FAACS0002 KEGG: C16492 KNApSAcK: C00006092 LipidMAPS: LMPK12140224 |
C21H22O10 | 434.12130 | 1.056 | 2',4',6',beta-Tetrahydroxychalcone 2'-glucoside | FlavonoidViewer: FL1CHYGS0001 KNApSAcK: C00007890 LipidMAPS: LMPK12120368 |
C21H22O10 | 434.12130 | 1.056 | Naringenin 4'-O-glucoside | FlavonoidViewer: FL2FAAGS0008, FL2FAAGS0009 KNApSAcK: C00008208, C00008209 LipidMAPS: LMPK12140242, LMPK12140243 |
C21H22O10 | 434.12130 | 1.056 | Dihydrogenistin | HMDB: HMDB0039935 KNApSAcK: C00018998 |
C21H22O10 | 434.12130 | 1.056 | Digicitrin | FlavonoidViewer: FL5FGGNS0010 KNApSAcK: C00004867 LipidMAPS: LMPK12113366 |
C21H22O10 | 434.12130 | 1.056 | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone | FlavonoidViewer: FL5FGLNS0012 KNApSAcK: C00004856 LipidMAPS: LMPK12113385 |
C21H22O10 | 434.12130 | 1.056 | Marsuposide | KNApSAcK: C00051493 |
C21H22O10 | 434.12130 | 1.056 | Chalconaringenin 4'-glucoside | FlavonoidViewer: FL1CAAGS0005 KEGG: C16407 KNApSAcK: C00007882 LipidMAPS: LMPK12120251 |
C21H22O10 | 434.12130 | 1.056 | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone | FlavonoidViewer: FL5FGLNS0011 KNApSAcK: C00004855 LipidMAPS: LMPK12113384 |
C21H22O10 | 434.12130 | 1.056 | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone | FlavonoidViewer: FL5FGGNS0009 KNApSAcK: C00004866 LipidMAPS: LMPK12113365 |
C21H22O10 | 434.12130 | 1.056 | 5,7,2'-Trihydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FA8GS0003 KNApSAcK: C00008414 LipidMAPS: LMPK12140108 |
C21H22O10 | 434.12130 | 1.056 | 10-Hydroxyaloin B | KNApSAcK: C00044047 |
C21H22O10 | 434.12130 | 1.056 | Isosalipurposide | FlavonoidViewer: FL1CAAGS0004 KEGG: C16406 KNApSAcK: C00007881 LipidMAPS: LMPK12120250 |
C21H22O10 | 434.12130 | 1.056 | Schoenoside | KNApSAcK: C00019245 |
C21H22O10 | 434.12130 | 1.056 | Monospermoside | FlavonoidViewer: FL1C1AGS0007 KNApSAcK: C00007189 LipidMAPS: LMPK12120026 |
C21H22O10 | 434.12130 | 1.056 | Aromadendrin 7-rhamnoside | FlavonoidViewer: FL4DAAGS0007 KNApSAcK: C00008675 |
C21H22O10 | 434.12130 | 1.056 | Isomonospermoside | FlavonoidViewer: FL2F1CGS0002 KNApSAcK: C00008278 LipidMAPS: LMPK12140066 |
C21H22O10 | 434.12130 | 1.056 | Lecontin | FlavonoidViewer: FL4D1AGS0001 KNApSAcK: C00008667 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 435.12823 |
Splash: splash10-00di-0090100000-633f5be6e2badae2b348 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
273.11 | 9677 | 162 | 1000 |
417.16 | 1416 | 18 | 146 |
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 |
Level: 3, プリカーサーm/z: 273.09955 |
Splash: splash10-0udj-0900000000-9ff9617beff538417ed4 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
152.96 | 4121 | 120 | 1000 |
146.98 | 3580 | 126 | 868 |
231.17 | 227 | 42 | 54 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.333 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
0.300 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
0.300 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
0.300 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
0.300 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
0.250 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
0.231 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
0.167 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
0.125 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
0.083 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
0.083 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
0.071 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
0.071 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
0.071 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
0.067 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
0.000 | [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 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
0.000 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
0.000 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
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 |
Level: 3, プリカーサーm/z: 417.10001 |
Splash: splash10-000b-0049000000-ae4a0a3e57ca1e5af5e7 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
339.19 | 476 | 78 | 1000 |
297.18 | 420 | 120 | 881 |
399.09 | 308 | 18 | 646 |
381.25 | 265 | 36 | 555 |
369.29 | 185 | 48 | 387 |
285.10 | 173 | 132 | 363 |
351.30 | 66 | 66 | 138 |
279.15 | 40 | 138 | 84 |
249.18 | 27 | 168 | 55 |
273.19 | 24 | 144 | 50 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.333 | [Flavone]-A(1OH, 1(C-Glu))-B(1OH) | Flavone | Bayin |
0.333 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 6-C-beta-D-glucopyranoside |
0.333 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 8-C-beta-D-glucopyranoside |
0.333 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OH) | Isoflavone | 8-Glucosyldaidzein |
0.037 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Munetone |
0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomolludistin |
0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Molludistin |
0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH) | Flavone | Isofurcatain |
0.000 | [Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Eupalestin |
0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH) | Flavonol | Calomelanol D |
0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin |
0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melibentin |
0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Flavonol | Melicophyllin |
0.000 | [6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl)) | 6-Hydroxyrotenone | Dihydrostemonal 6-O-acetate |
0.000 | [4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none) | 4-phenylcoumarin | Apetalolide |