ピーク情報
|
はつか大根 葉
pos
|
| Peak #8340 MN MID: SE202_S21_M90 |
| m/z: 343.13884, RT: 55.78, 強度: 40528, ログ強度: 1.15, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (15 names) Bidensyneoside C;(-)-Bidensyneoside C;3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione;(-)-Macrosphelide L; Macrosphelide L;Veranisatin A;Macrosphelide D;4-Hydr... |
| DBごとのヒット数: ALL 12 KG 1 KN 8 HM 3 |
| FlavonoidSearch最大スコア MS2: 0.071, 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 |
|---|---|---|---|---|
| C16H22O8 | 342.13147 | 0.290 | Bidensyneoside C | KNApSAcK: C00031631, C00032767 |
| C16H22O8 | 342.13147 | 0.290 | 3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione | HMDB: HMDB0030107 |
| C16H22O8 | 342.13147 | 0.290 | (-)-Macrosphelide L | KNApSAcK: C00015181 |
| C16H22O8 | 342.13147 | 0.290 | Veranisatin A | HMDB: HMDB0040663 KNApSAcK: C00044374 |
| C16H22O8 | 342.13147 | 0.290 | 4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside | HMDB: HMDB0037552 |
| C16H22O8 | 342.13147 | 0.290 | Macrosphelide D | KNApSAcK: C00016156, C00016385 |
| C16H22O8 | 342.13147 | 0.290 | Citrusin D | HMDB: HMDB0039334 KNApSAcK: C00053975 |
| C16H22O8 | 342.13147 | 0.290 | Coniferin | HMDB: HMDB0013682 KEGG: C00761 KNApSAcK: C00002727 |
| C16H22O8 | 342.13147 | 0.290 | Synargentolide B | KNApSAcK: C00044335 |
| C16H22O8 | 342.13147 | 0.290 | Pectinolide D | KNApSAcK: C00036192 |
| C16H22O8 | 342.13147 | 0.290 | Sphalleroside A | HMDB: HMDB0032767 |
| C16H22O8 | 342.13147 | 0.290 | Myzodendrone | HMDB: HMDB0041273 KNApSAcK: C00037535 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 343.13870 |
| Splash: splash10-004i-0093000000-df7be6c93a69b1af76b9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 226.98 | 8748 | 116 | 1000 |
| 325.05 | 3978 | 18 | 454 |
| 209.02 | 3083 | 134 | 352 |
| 191.06 | 561 | 152 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,2',4',5'-Tetrahydroxyflavone |
| 0.043 | [Isoflavone]-A(1OMe)-B(3OMe) | Isoflavone | 7,2',4',5'-Tetramethoxyisoflavone |
| 0.043 | [Isoflavone]-A(2OMe)-B(2OMe) | Isoflavone | 6,7,3',4'-Tetramethoxyisoflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Zapotin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Cerrosillin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | 5,7,2',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Luteolin 5,7,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Norartocarpetin 5,7,2',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | Scutellarein 5,6,7,4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | 4',5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(none) | Flavone | 5,6,7,8-Tetramethoxyflavone |
| 0.000 | [Aurone]-A(2OMe)-B(2OMe) | Aurone | 4,6,3',4'-Tetramethoxyaurone |
| 0.000 | [Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone |
| 0.000 | [alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy)) | alpha-Methyl-beta-oxodihydrochalcone | Tinosporinone |
| 0.000 | [Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavanone | Brosimacutin C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(2OMe) | Flavone | 5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(2OMe) | Flavonol | Fisetin tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OMe) | Flavonol | Tetramethylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavonol | 8-Desmethylkalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,6,7-Tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavonol | 3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH) | Flavan 3-ol | Phyllocoumarin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dalpatein |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone F |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Isoflavone | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Isoiriskashmirianin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dipteryxine |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Squarrosin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskashmirianin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskumaonin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Platycarpanetin |
| 0.000 | [Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Leiocalycin |
| 0.000 | [Pterocarpene]-A(1OMe)-B(3OMe) | Pterocarpene | Bryacarpene 3 |
| 0.000 | [Rotenone]-A(1OMe)-B(2OMe) | Rotenone | Munduserone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | Sisafolin |
| Level: 3, プリカーサーm/z: 226.94409 |
| Splash: splash10-0a4i-0090000000-1631ce1d2a742586aa3e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 208.89 | 996 | 18 | 1000 |
| 191.00 | 51 | 36 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan]-A(1OH)-B(none) | Flavan | 7-Hydroxyflavan |
| Level: 3, プリカーサーm/z: 325.02588 |
| Splash: splash10-0a4i-0391000000-56252d6e77a27505e0d0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 208.94 | 677 | 116 | 1000 |
| 191.07 | 239 | 134 | 352 |
| 307.32 | 84 | 18 | 124 |
| 226.96 | 56 | 98 | 82 |
| 162.98 | 35 | 162 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.067 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.067 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.067 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.056 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.056 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.056 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.048 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.048 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.048 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.048 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.048 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |