ピーク情報
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パセリ 根
pos
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| Peak #5950 MN MID: SE61_S24_M90 |
| m/z: 453.13879, RT: 53.22, 強度: 19426, ログ強度: 0.79, 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: (20 names) Catechin 5-glucoside;Curculigoside B;6-C-Glucopyranosylcatechin;3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid;Coatline B;3-Hydroxyphlor... |
| DBごとのヒット数: ALL 18 KN 14 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.043, MS3: - |
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 |
|---|---|---|---|---|
| C21H24O11 | 452.13186 | -0.761 | Catechin-5-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0010, FL63ACGS0011 HMDB: HMDB0037948 KNApSAcK: C00008846, C00008847 LipidMAPS: LMPK12020055, LMPK12020056 |
| C21H24O11 | 452.13186 | -0.761 | Curculigoside B | KNApSAcK: C00031703 |
| C21H24O11 | 452.13186 | -0.761 | 6-C-Glucopyranosylcatechin | FlavonoidViewer: FL63ACCS0001, FL63ACCS0003 HMDB: HMDB0037399, HMDB0037400 KNApSAcK: C00006356, C00006358 LipidMAPS: LMPK12020039, LMPK12020041 |
| C21H24O11 | 452.13186 | -0.761 | 3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid | HMDB: HMDB0130523 |
| C21H24O11 | 452.13186 | -0.761 | Coatline B | FlavonoidViewer: FL1DHXCS0002 KNApSAcK: C00006116 LipidMAPS: LMPK12120567 |
| C21H24O11 | 452.13186 | -0.761 | 3-Hydroxyphloretin 2'-O-glucoside | HMDB: HMDB0301672 |
| C21H24O11 | 452.13186 | -0.761 | 8-C-Glucopyranosylcatechin | FlavonoidViewer: FL63ACCS0002, FL63ACCS0004, FL63ACCS0005 HMDB: HMDB0037401, HMDB0037402, HMDB0039823 KNApSAcK: C00006357, C00006359, C00013256 LipidMAPS: LMPK12020040, LMPK12020042, LMPK12020043 |
| C21H24O11 | 452.13186 | -0.761 | Catechin-4-ol 3-O-alpha-L-rhamnopyranoside | FlavonoidViewer: FL6DACGS0003 KNApSAcK: C00009018 LipidMAPS: LMPK12020201 |
| C21H24O11 | 452.13186 | -0.761 | Sieboldin | FlavonoidViewer: FL1DACGS0001 KNApSAcK: C00007993 LipidMAPS: LMPK12120530 |
| C21H24O11 | 452.13186 | -0.761 | 6'-O-Galloylsalidroside | KNApSAcK: C00033581 |
| C21H24O11 | 452.13186 | -0.761 | Leucopelargonidin 3-O-glucoside | FlavonoidViewer: FL6DAAGS0001 KNApSAcK: C00009015 LipidMAPS: LMPK12020198 |
| C21H24O11 | 452.13186 | -0.761 | Catechin 7-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0016, FL63ACGS0017 HMDB: HMDB0037949 KNApSAcK: C00008852, C00008853 LipidMAPS: LMPK12020060, LMPK12020061 |
| C21H24O11 | 452.13186 | -0.761 | Aspalathin | FlavonoidViewer: FL1DACCS0001 HMDB: HMDB0030851 KNApSAcK: C00006096 LipidMAPS: LMPK12120529 |
| C21H24O11 | 452.13186 | -0.761 | Catechin 3'-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0019 HMDB: HMDB0029164, HMDB0037946 KNApSAcK: C00008855 LipidMAPS: LMPK12020063 |
| C21H24O11 | 452.13186 | -0.761 | Precarthamin | HMDB: HMDB0031967 |
| C21H24O11 | 452.13186 | -0.761 | Catechin 4'-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0020 KNApSAcK: C00008856 LipidMAPS: LMPK12020064 |
| C21H24O11 | 452.13186 | -0.761 | Catechin 3-O-beta-D-glucopyranoside | FlavonoidViewer: FL63ACGS0002, FL63ACGS0005, FL63ACGS0006 HMDB: HMDB0037943 KNApSAcK: C00008838, C00008841, C00008842, C00033501 LipidMAPS: LMPK12020047, LMPK12020050, LMPK12020051 |
| C21H24O11 | 452.13186 | -0.761 | 7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) | HMDB: HMDB0034753 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 453.13837 |
| Splash: splash10-004r-0019300000-00f237d8162a0a1bce8e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 378.88 | 12217 | 74 | 1000 |
| 436.40 | 5784 | 17 | 473 |
| 387.87 | 4719 | 65 | 386 |
| 205.13 | 2812 | 248 | 230 |
| 308.08 | 2413 | 145 | 197 |
| 414.89 | 2093 | 38 | 171 |
| 379.81 | 1175 | 73 | 96 |
| 371.86 | 999 | 81 | 81 |
| 435.49 | 733 | 18 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.043 | [Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Amoradinin |
| 0.037 | [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 |
| Level: 3, プリカーサーm/z: 436.40399 |
| Splash: splash10-00di-0009000000-ece355f40fe8bf351741 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 371.83 | 1989 | 65 | 1000 |
| 362.98 | 401 | 73 | 201 |
| 398.67 | 360 | 38 | 180 |
| 428.27 | 130 | 8 | 65 |
| 320.19 | 128 | 116 | 64 |
| 427.46 | 126 | 9 | 63 |
| 399.30 | 123 | 37 | 61 |
| 308.32 | 123 | 128 | 61 |
| 298.66 | 111 | 138 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 378.88013 |
| Splash: splash10-004i-0109013000-5d47bd33471bb85973d3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 627.36 | 1188 | -248 | 1000 |
| 370.32 | 1163 | 9 | 979 |
| 314.14 | 902 | 65 | 759 |
| 341.26 | 605 | 38 | 509 |
| 130.00 | 586 | 249 | 493 |
| 347.24 | 473 | 32 | 398 |
| 595.35 | 333 | -216 | 280 |
| 628.37 | 321 | -249 | 270 |
| 327.43 | 317 | 51 | 266 |
| 314.84 | 296 | 64 | 249 |
| 341.87 | 287 | 37 | 241 |
| 362.80 | 228 | 16 | 192 |
| 305.48 | 177 | 73 | 148 |
| 681.37 | 124 | -302 | 104 |
| 524.30 | 118 | -145 | 99 |
| 347.87 | 117 | 31 | 98 |
| 260.09 | 109 | 119 | 92 |
| 596.37 | 95 | -217 | 80 |
| 331.63 | 91 | 47 | 76 |
| 450.44 | 85 | -72 | 71 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Dihydrochalcone | Isouvaretin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Dihydrochalcone | Uvaretin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-hydroxybenzyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5,6-Dihydroxybenzofurano)))-B(1OH) | Flavanone | Anastatin A |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5,6-Dihydroxybenzofurano)))-B(1OH) | Flavanone | Anastatin B |
| 0.000 | [Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-hydroxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none) | Flavone | Glabratephrinol |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Isopongachromene |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | 5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | Pongachromene |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 1Cl) | Flavonol | Chlorflavonin |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Isojamaicin |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Jamaicin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Durmillone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Robustone methyl ether |
| 0.000 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | Isoflavone | Glabrescione A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | Rotenone | Isomillettone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Rotenone | Millettone |