ピーク情報
|
イネ 葉 コシヒカリ
pos
|
| Peak #1275 MN MID: SE199_S31_M90 |
| m/z: 364.15992, RT: 20.06, 強度: 2011, ログ強度: -0.25, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (17 names) 3,4,5-Trimethoxyphenyl glucoside;Eranthemoside;1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside;6-Deoxycatalpol;(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranosi... |
| DBごとのヒット数: ALL 16 KG 2 KN 9 HM 5 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.105 |
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 |
|---|---|---|---|---|
| C15H22O9 | 346.12638 | -0.829 | 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside | HMDB: HMDB0041189 KNApSAcK: C00034384 |
| C15H22O9 | 346.12638 | -0.829 | 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside | HMDB: HMDB0035057 |
| C15H22O9 | 346.12638 | -0.829 | Eranthemoside | KNApSAcK: C00010547 |
| C15H22O9 | 346.12638 | -0.829 | 6-Deoxycatalpol | KNApSAcK: C00010517 |
| C15H22O9 | 346.12638 | -0.829 | (1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside | HMDB: HMDB0040602 |
| C15H22O9 | 346.12638 | -0.829 | (1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside | HMDB: HMDB0040601 |
| C15H22O9 | 346.12638 | -0.829 | Di-O-methylcrenatin | HMDB: HMDB0032742 |
| C15H22O9 | 346.12638 | -0.829 | 6beta-Hydroxyantirrhide | KNApSAcK: C00035959 |
| C15H22O9 | 346.12638 | -0.829 | Deutzioside | KEGG: C11671 KNApSAcK: C00010613 LipidMAPS: LMPR0102070036 |
| C15H22O9 | 346.12638 | -0.829 | Decaloside | KNApSAcK: C00010532 |
| C15H22O9 | 346.12638 | -0.829 | Aucubin | HMDB: HMDB0036562 KEGG: C09771 KNApSAcK: C00003073, C00036616 LipidMAPS: LMPR0102070006 |
| C15H22O9 | 346.12638 | -0.829 | Galiridoside | KNApSAcK: C00010480 |
| C15H22O9 | 346.12638 | -0.829 | Iridoid glycoside | KNApSAcK: C00037307 |
| C20H18N4S | 346.12522 | 2.536 | Nordercitin | KNApSAcK: C00028719 |
| C19H23N2SCl | 346.12705 | -2.752 | Chlorproethazine | HMDB: HMDB0250133 |
| C16H18O5N4 | 346.12772 | -4.693 | Acinetobactin | KNApSAcK: C00027801 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 364.16000 |
| Splash: splash10-00or-0429000000-f4458b05ab1dc37b60da |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 328.63 | 877 | 36 | 1000 |
| 166.96 | 634 | 197 | 723 |
| 311.05 | 263 | 53 | 299 |
| 283.28 | 150 | 81 | 171 |
| 148.94 | 147 | 215 | 167 |
| 346.14 | 106 | 18 | 121 |
| 275.06 | 103 | 89 | 117 |
| 292.76 | 88 | 71 | 100 |
| 327.67 | 86 | 36 | 97 |
| 310.35 | 71 | 54 | 81 |
| 319.13 | 68 | 45 | 77 |
| 274.17 | 64 | 90 | 73 |
| 320.31 | 59 | 44 | 67 |
| 217.11 | 58 | 147 | 66 |
| 354.96 | 55 | 9 | 62 |
| 233.15 | 45 | 131 | 51 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 166.96078 |
| Splash: splash10-0002-0900000000-777c9e01049bbc1a41e3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 148.96 | 109 | 18 | 1000 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 328.63214 |
| Splash: splash10-0pvi-0394000000-6a724a47e86e8e603b7e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 256.96 | 10 | 72 | 1000 |
| 300.29 | 7 | 28 | 665 |
| 167.24 | 7 | 161 | 628 |
| 298.00 | 3 | 31 | 324 |
| 254.41 | 1 | 74 | 136 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.105 | [Flavonol]-A(2OMe)-B(1OMe) | Flavonol | 3-Hydroxy-7,8,4'-trimethoxyflavone |
| 0.050 | [Flavonol]-A(3OMe)-B(none) | Flavonol | 3-Hydroxy-5,7,8-trimethoxyflavone |
| 0.050 | [Flavonol]-A(1OMe)-B(2OMe) | Flavonol | Fisetin 7,3',4'-trimethyl ether |
| 0.042 | [Isoflavone]-A(1OH)-B(3OMe) | Isoflavone | 7-Hydroxy-2',4',5'-trimethoxyisoflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Grantionin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Zapotinin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',6'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 5,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Noratocarpetin 7,2',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 6-Hydroxy-5,7,4'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Salvigenin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 7-Hydroxy-5,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Andrographin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Isoscutellarein 7,8,4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | 8-Hydroxy-5,6,7-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | Alnetin |
| 0.000 | [Isoflavone]-A(1OMe)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-7,3',4'-trimethoxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 5-Methoxyafrormosin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 7,4'-Di-O-methyltectorigenin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | Iso-5-methoxyafrormosin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | Cladrastin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | 7-Hydroxy-8,3',4'-trimethoxyisoflavone |
| 0.000 | [Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Aurone | 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone |
| 0.000 | [Aurone]-A(1OH, 2OMe)-B(1OMe) | Aurone | 5-Hydroxy-4,6,4'-trimethoxyaurone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Tephrone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Milletenone |
| 0.000 | [Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 6,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 5,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | Betagarin |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | 5,4'-Dimethoxy-6,7-methylenedioxyflavanone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH) | Flavone | 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone |
| 0.000 | [Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe) | Flavone | Kanzakiflavone 1 |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl)) | Dihydroflavonol | Pinobanksin 3-O-propionate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Methypinobanksin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH) | Flavonol | Kaempferol 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Flavonol | Kaempferol 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavonol | 8-Demethyllatifolin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 7-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH) | Flavonol | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Alnustin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavonol | 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | 7-Hydroxy-3,5,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Methylgnaphaliin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none) | Flavonol | Platanin 3,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dalspinin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavanone | 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 2-Methoxypterocarpin |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 4-Methoxypterocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Acanthocarpan |
| 0.000 | [Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6-ol | 6-Methoxypterocarpin |
| 0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | Bryaquinone |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1OH, 2OMe) | Pterocarpene | Bryacarpene 2 |
| 0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 4 |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe) | 4-phenylcoumarin | 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe) | 4-phenylcoumarin | Exostemin |