ピーク情報
|
はつか大根 葉
pos
|
| Peak #10441 MN MID: SE202_S21_M90 |
| m/z: 703.40391, RT: 94.57, 強度: 141414, ログ強度: 1.70, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (3 names) 2alpha,3beta,24,29-tetrahydroxyolean-12-en-28-oic acid 28-O-beta-d-glucopyranside;Beesioside D;(+)-Beesioside D |
| DBごとのヒット数: ALL 2 KN 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.167 |
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 |
|---|---|---|---|---|
| C37H60O11 | 680.41356 | 1.652 | 2alpha,3beta,24,29-tetrahydroxyolean-12-en-28-oic acid 28-O-beta-d-glucopyranside | LipidMAPS: LMPR0106150047 |
| C37H60O11 | 680.41356 | 1.652 | Beesioside D | KNApSAcK: C00045229 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 703.40381 |
| Splash: splash10-0006-0000900000-8f8c9552f636919256c6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 491.39 | 16425 | 212 | 1000 |
| 453.31 | 4819 | 250 | 293 |
| 492.34 | 4151 | 211 | 252 |
| 686.66 | 1389 | 17 | 84 |
| 454.42 | 1043 | 249 | 63 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 491.35852 |
| Splash: splash10-0006-0291000000-f18d4088166d1a93b1bd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.12 | 84 | 248 | 1000 |
| 241.08 | 64 | 250 | 759 |
| 185.07 | 53 | 306 | 625 |
| 203.08 | 21 | 288 | 245 |
| 329.32 | 15 | 162 | 182 |
| 259.24 | 11 | 232 | 127 |
| 383.37 | 10 | 108 | 123 |
| 273.43 | 10 | 218 | 116 |
| 423.51 | 8 | 68 | 97 |
| 435.44 | 8 | 56 | 91 |
| 313.52 | 5 | 178 | 60 |
| 473.52 | 5 | 18 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Flavone | Dorsilurin A |
| 0.160 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Isoflavone | Euchrenone b2 |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe) | Flavone | Isoorientin 7,3',4'-trimethyl ether |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(1-(2-Hydroxy-5-methoxycarbonylphenyl)-3-methylbut-2-enyl))-B(none) | Dihydrochalcone | Piperaduncin A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none) | Flavanone | 8-Prenyllepidissipyrone |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Amorinin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Flavanone | Amoridin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano))) | Flavanone | Tanariflavanone B |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a6 |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 6''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-acetate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Flavone | Orientin 6''-O-acetate |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH, 2(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artelasticin |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Rubraflavone C |
| 0.000 | [3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH) | 3-substituted Flavone | Artocommunol CD |
| 0.000 | [Flavone]-A(2OH, 1Farnesyl)-B(2OH) | Flavone | Moralbanone |
| 0.000 | [UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone ([2,3:4,3]-(6,6-Dimethyldihydropyrano))]-A(2([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone | Dorsilurin E |
| 0.000 | [Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Isoflavone | Orobol 6-C-(6''-acetylglucoside) |
| 0.000 | [Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH) | Isoflavone | Orobol 8-C-(6''-acetylglucoside) |
| Level: 3, プリカーサーm/z: 453.36151 |
| Splash: splash10-0006-0090100000-bd5481106614e82b2f2c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 241.05 | 66 | 212 | 1000 |
| 235.10 | 57 | 218 | 859 |
| 291.29 | 47 | 162 | 714 |
| 243.18 | 30 | 210 | 458 |
| 363.38 | 21 | 90 | 313 |
| 425.16 | 17 | 28 | 252 |
| 203.08 | 16 | 250 | 239 |
| 277.16 | 9 | 176 | 143 |
| 423.31 | 7 | 30 | 113 |
| 435.34 | 7 | 18 | 104 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.042 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Dorsmanin D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH) | 2'-Hydroxychalcone | Derrichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Kushenol D |
| 0.000 | [Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none) | Dihydrochalcone | Chamuvaritin |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH) | Dihydrochalcone | Aspalathin |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH) | Dihydrochalcone alpha-ol | Coatline B |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH) | Flavanone | Derriflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe) | Flavanone | 2'-Methoxykurarinone |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none) | Flavone | 9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavone | Epimedokoreanin A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | 3-substituted Flavone | Heteroartonin A |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Artonin S |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH) | Flavonol | Broussoflavonol B |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 6-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH) | Flavan 3-ol | 8-C-Glucopyranosylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH) | Flavan 3-ol | Catechin 8-C-beta-D-galactoside |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ib |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH) | Flavan 3-ol | Cinchonain Ic |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl)) | Flavan 3-ol | Gallocatechin 3-O-p-coumarate |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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