ピーク情報
|
イネ 葉 コシヒカリ
pos
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| Peak #141 MN MID: SE199_S31_M90 |
| m/z: 309.16543, RT: 10.33, 強度: 2900, ログ強度: -0.09, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6 |
| DB検索結果: (4 names) 1-Deoxy-1-(N6-lysino)-D-fructose;Fructose-lysine;Glucoselysine;Fructosyl-lysine |
| DBごとのヒット数: ALL 4 KG 2 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.111, MS3: 0.100 |
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 |
|---|---|---|---|---|
| C12H24O7N2 | 308.15835 | -0.635 | 1-Deoxy-1-(N6-lysino)-D-fructose | HMDB: HMDB0034879, HMDB0062186 |
| C12H24O7N2 | 308.15835 | -0.635 | Fructose-lysine | HMDB: HMDB0252494 |
| C12H24O7N2 | 308.15835 | -0.635 | Glucoselysine | KEGG: C20978 |
| C12H24O7N2 | 308.15835 | -0.635 | Fructoselysine | HMDB: HMDB0242138, HMDB0252495 KEGG: C16488, C21616 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 309.16537 |
| Splash: splash10-0006-0090000000-c393e2cb57db5c884c25 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 291.14 | 17681 | 18 | 1000 |
| 273.20 | 5500 | 36 | 311 |
| 225.10 | 3646 | 84 | 206 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone B |
| 0.111 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isocordoin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | O-Methylpongamol |
| 0.000 | [Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavanone | 3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH) | Flavone | 3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neodulin |
| Level: 3, プリカーサーm/z: 291.15671 |
| Splash: splash10-00b9-0190000000-e012e2c361572947574a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 225.11 | 6316 | 66 | 1000 |
| 273.15 | 3549 | 18 | 561 |
| 129.95 | 595 | 161 | 94 |
| 255.12 | 422 | 36 | 66 |
| 128.03 | 397 | 163 | 62 |
| 147.12 | 380 | 144 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.100 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.100 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.100 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.100 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |
| Level: 3, プリカーサーm/z: 273.14343 |
| Splash: splash10-004i-0290000000-1bc8a3fc929f1a25cd4b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 225.09 | 1706 | 48 | 1000 |
| 127.94 | 454 | 145 | 265 |
| 255.08 | 234 | 18 | 137 |
| 256.11 | 135 | 17 | 79 |
| 227.19 | 128 | 46 | 75 |
| 237.09 | 106 | 36 | 62 |
| 129.11 | 90 | 144 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.222 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.222 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.143 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.118 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.111 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.111 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.091 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.067 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.063 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.063 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.063 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.063 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.063 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.063 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 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 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 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 |