ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #68 MN MID: SE199_S21_M90 |
| m/z: 309.16542, RT: 10.44, 強度: 6635, ログ強度: 0.42, 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 | -0.688 | 1-Deoxy-1-(N6-lysino)-D-fructose | HMDB: HMDB0034879, HMDB0062186 |
| C12H24O7N2 | 308.15835 | -0.688 | Fructose-lysine | HMDB: HMDB0252494 |
| C12H24O7N2 | 308.15835 | -0.688 | Glucoselysine | KEGG: C20978 |
| C12H24O7N2 | 308.15835 | -0.688 | 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: 309.16534 |
| Splash: splash10-0006-0090000000-fcd2e76621e77baaaba7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 291.20 | 20812 | 18 | 1000 |
| 273.18 | 6902 | 36 | 331 |
| 225.14 | 5013 | 84 | 240 |
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: 291.09399 |
| Splash: splash10-00b9-0190000000-e70ade09e5eed8660d84 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 225.15 | 7940 | 66 | 1000 |
| 273.22 | 4783 | 18 | 602 |
| 130.12 | 600 | 161 | 75 |
| 255.13 | 476 | 36 | 59 |
| 147.08 | 469 | 144 | 59 |
| 128.10 | 414 | 163 | 52 |
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: 273.12790 |
| Splash: splash10-004i-0290000000-390242088e4e81bb420b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 225.07 | 2601 | 48 | 1000 |
| 128.02 | 788 | 145 | 303 |
| 255.10 | 288 | 18 | 110 |
| 256.20 | 181 | 17 | 69 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.143 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.125 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.083 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.083 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.077 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.077 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.067 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.063 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.063 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 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 |