ピーク情報
|
はつか大根 葉
pos
|
| Peak #8215 MN MID: SE202_S21_M90 |
| m/z: 341.12310, RT: 54.96, 強度: 79686, ログ強度: 1.45, 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: (12 names) Juglanoside B;(-)-Juglanoside B;10-beta-D-glucopyranosyloxy-deca-8Z-en-4,6-diynoic acid;Juglanoside C;(-)-Juglanoside C;Linocinnamarin;Tetrahydrobostrycin;(-)-Tetrahydrobostrycin;trans-isoeugenol-O-gl... |
| DBごとのヒット数: ALL 9 KN 5 HM 3 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.136, MS3: 0.161 |
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 |
|---|---|---|---|---|
| C16H20O8 | 340.11582 | 0.025 | Juglanoside B | KNApSAcK: C00031926 |
| C16H20O8 | 340.11582 | 0.025 | 10-beta-D-glucopyranosyloxy-deca-8Z-en-4,6-diynoic acid | LipidMAPS: LMFA01050586 |
| C16H20O8 | 340.11582 | 0.025 | Linocinnamarin | HMDB: HMDB0030678 |
| C16H20O8 | 340.11582 | 0.025 | Juglanoside C | KNApSAcK: C00031927 |
| C16H20O8 | 340.11582 | 0.025 | trans-isoeugenol-O-glucuronide | HMDB: HMDB0060021 |
| C16H20O8 | 340.11582 | 0.025 | Oenanthoside A | HMDB: HMDB0035441 |
| C16H20O8 | 340.11582 | 0.025 | Tetrahydrobostrycin | KNApSAcK: C00048875 |
| C16H20O8 | 340.11582 | 0.025 | Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside | KNApSAcK: C00037495 |
| C16H20O8 | 340.11582 | 0.025 | Macrosphelide B | KNApSAcK: C00016157 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 341.12299 |
| Splash: splash10-00di-0459000000-003a6aba6b571cb6b39f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 323.13 | 948 | 18 | 1000 |
| 206.93 | 325 | 134 | 342 |
| 179.13 | 149 | 162 | 156 |
| 225.06 | 117 | 116 | 122 |
| 189.02 | 116 | 152 | 122 |
| 162.98 | 108 | 178 | 113 |
| 161.09 | 99 | 180 | 104 |
| 295.12 | 93 | 46 | 97 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.136 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Flavanone | Euchrenone a7 |
| 0.136 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Broussochalcone A |
| 0.136 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH) | 2'-Hydroxychalcone | Morachalcone A |
| 0.111 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 8-Prenylpinobanksin |
| 0.111 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 6-Prenylpinobanksin |
| 0.100 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Licoflavanone |
| 0.100 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavanone | Dihydrowighteone |
| 0.100 | [Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-prenylisoflavanone |
| 0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Kushenol S |
| 0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | 6-Prenylnaringenin |
| 0.048 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Sophoraflavanone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Psorachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Bakuchalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helikrausichalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | 5'-Prenyllicodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Kanzonol A |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Dihydrochalcone | Crotin (chalcone) |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavanone | Brosimacutin D |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Brosimacutin E |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | Ugonin E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavanone | 5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavone | 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Pulcherrimin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavan | 2'-O-Methylphaseollidinisoflavan |
| 0.000 | [Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Isoflavan | Millinol B |
| 0.000 | [Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylpreglabridin |
| 0.000 | [isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | isoflavan-4-ol | Ambanol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Pterocarpan | 10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sandwicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollidin I |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Licocoumarone |
| Level: 3, プリカーサーm/z: 323.07852 |
| Splash: splash10-0a4i-0797000000-f0f28263477801ba325e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 305.20 | 107 | 18 | 1000 |
| 160.95 | 56 | 162 | 523 |
| 291.17 | 32 | 32 | 303 |
| 206.97 | 30 | 116 | 277 |
| 277.28 | 16 | 46 | 150 |
| 287.15 | 13 | 36 | 121 |
| 295.11 | 13 | 28 | 119 |
| 183.13 | 12 | 140 | 112 |
| 189.18 | 12 | 134 | 108 |
| 170.70 | 11 | 152 | 103 |
| 245.38 | 10 | 78 | 93 |
| 184.98 | 9 | 138 | 82 |
| 293.56 | 8 | 30 | 78 |
| 308.17 | 8 | 15 | 75 |
| 249.20 | 7 | 74 | 68 |
| 133.11 | 7 | 190 | 66 |
| 281.28 | 7 | 42 | 65 |
| 247.27 | 7 | 76 | 62 |
| 95.04 | 6 | 228 | 53 |
| 147.01 | 5 | 176 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.241 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol D |
| 0.241 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Licoflavone A |
| 0.200 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavone | 7,4'-Dihydroxy-8-prenylflavone |
| 0.200 | [Flavone]-A(2OH, 1(C-Prenyl))-B(none) | Flavone | 5,7-Dihydroxy-8-prenylflavone |
| 0.179 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Flemichapparin A |
| 0.179 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone I |
| 0.179 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Kanzonol B |
| 0.156 | [Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Neobavaisoflavone |
| 0.138 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | 4'-Hydroxyisolonchocarpin |
| 0.138 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Isobavachromene |
| 0.138 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromene |
| 0.115 | [Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Chalcone | Munsericin |
| 0.097 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Derricin |
| 0.087 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | 3-Hydroxyisolonchocarpin |
| 0.061 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(none) | Flavanone | Isoderricin A |
| 0.042 | [Flavan 3-ol]-A(4OH)-B(2OH) | Flavan 3-ol | Elephantorrhizol |
| 0.038 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Neorautenol |
| 0.038 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Phaseollin |
| 0.038 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Isoneorautenol |
| 0.034 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | Ovalitenin C |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(2OMe) | Flavone | Millettocalyxin C |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavonol | 3,4'-Dimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(3OH) | Flavan 3,4-diol | Gallocatechin-4-ol |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | isoflavene | Glabrene |