ピーク情報
|
イチョウ 葉
pos
|
| Peak #6653 MN MID: SE205_S01_M90 |
| m/z: 653.31744, RT: 60.91, 強度: 21309, ログ強度: 0.78, アダクト: [M+2(CH3OH)-3(H2O)+H]+, [M-2(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (5 names) Dihydrotestosterone diglucuronide;Ligurobustoside K;(-)-Ligurobustoside K;Bz-Pro-Phe-Arg-pNA;Benzoyl-prolyl-phenylalanyl-arginine-p-nitroanilide |
| DBごとのヒット数: ALL 4 KN 1 HM 3 |
| 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 |
|---|---|---|---|---|
| C31H46O14 | 642.28876 | 1.043 | Dihydrotestosterone diglucuronide | HMDB: HMDB0251334 LipidMAPS: LMST05010077 |
| C31H46O14 | 642.28876 | 1.043 | Ligurobustoside K | KNApSAcK: C00044222 |
| C33H38O6N8 | 642.29143 | -3.121 | Bz-Pro-Phe-Arg-pNA | HMDB: HMDB0249497 |
| C33H38O6N8 | 642.29143 | -3.121 | Benzoyl-prolyl-phenylalanyl-arginine-p-nitroanilide | HMDB: HMDB0250214 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 653.31653 |
| Splash: splash10-0006-0000903000-03df51adc2837ceed605 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 441.27 | 1212 | 212 | 1000 |
| 453.36 | 621 | 200 | 512 |
| 635.33 | 559 | 18 | 461 |
| 623.47 | 187 | 30 | 154 |
| 491.45 | 160 | 162 | 131 |
| 621.36 | 87 | 32 | 71 |
| 425.19 | 68 | 228 | 55 |
| 414.40 | 61 | 239 | 50 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 441.28461 |
| Splash: splash10-0pb9-0093000000-fb474e778a2c450390c4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 259.14 | 104 | 182 | 1000 |
| 303.08 | 64 | 138 | 619 |
| 279.21 | 51 | 162 | 486 |
| 423.57 | 20 | 18 | 191 |
| 243.07 | 14 | 198 | 133 |
| 395.52 | 9 | 46 | 88 |
| 281.32 | 6 | 160 | 60 |
| 223.29 | 5 | 218 | 52 |
| 357.36 | 5 | 84 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.167 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH) | Dihydroflavonol | Kushenol L |
| 0.095 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH) | Flavanone | Kenusanone B |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Dihydrochalcone | 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH) | Dihydrochalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl)) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH) | Flavanone | Lonchocarpol E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavanone | 2'',3''-Dihydroxylupinifolin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH) | Flavanone | Dorsmanin H |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin G |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone V |
| 0.000 | [Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone VI |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone E |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone G |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH) | Dihydroflavonol | Diplacol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol X |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene))) | Flavan 3-ol | Amurensisin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerythynone |
| Level: 3, プリカーサーm/z: 453.29620 |
| Splash: splash10-002f-0091000000-c9aefe27efcaa4e2b345 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 227.17 | 9 | 226 | 1000 |
| 235.14 | 6 | 218 | 674 |
| 242.94 | 5 | 210 | 584 |
| 291.48 | 5 | 162 | 566 |
| 349.20 | 4 | 104 | 455 |
| 241.14 | 3 | 212 | 324 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Dorsmanin D |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 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 |