ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #3810 MN MID: SE198_S12_M90 |
| m/z: 713.15745, RT: 35.57, 強度: 104064, ログ強度: 1.52, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (6 names) Delphinidin 3-(6-malonylglucoside)-5-glucoside;Quercetin 3-O-(6"-malonyl-glucoside) 7-O-glucoside;Delphinidin 3-glucoside-5-(6-malonylglucoside);Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-bet... |
| DBごとのヒット数: ALL 5 KG 2 KN 3 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.765 |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 |
|---|---|---|---|---|
| C30H32O20 | 712.14869 | 2.083 | Delphinidin 3-(6-malonylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AAGGL0060 HMDB: [1]HMDB0039938 KNApSAcK: [1]C00014811 LipidMAPS: [1]LMPK12010336 |
| C30H32O20 | 712.14869 | 2.083 | Quercetin 3-(6''-malonylglucoside)-7-glucoside | FlavonoidViewer: FL5FACGS0111 HMDB: HMDB0029270 KNApSAcK: C00013883 LipidMAPS: LMPK12112264 |
| C30H32O20 | 712.14869 | 2.083 | Delphinidin 3-glucoside-5-(6-malonylglucoside) | FlavonoidViewer: [1]FL7AAGGL0070 HMDB: [1]HMDB0301992 KNApSAcK: [1]C00014821 LipidMAPS: [1]LMPK12010346 |
| C30H32O20 | 712.14869 | 2.083 | Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside | KEGG: [1]C16304 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 713.15546 |
| Splash: splash10-0uxr-0009520000-abb9acefd63c9ad22f0f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.11 | 30089 | 410 | 1000 |
| 465.09 | 19857 | 248 | 659 |
| 551.06 | 7846 | 162 | 260 |
| 345.12 | 2406 | 368 | 79 |
| 533.21 | 2197 | 180 | 73 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 465.08362 |
| Splash: splash10-0udi-0009000000-de413411d337d883a1e9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 303.09 | 15456 | 162 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Isoaffinetin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Tricetin 8-C-glucopyranoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | 6-C-beta-D-Glucopyranosylisoetin |
| 0.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(2OH) | Flavonol | 6-C-Glucosylquercetin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavanone | Dihydroscoparin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Dihydroflavonol | Keyakinol |
| 0.000 | [Flavonol]-A(2OH, 1(C-Glu))-B(2OH) | Flavonol | 8-C-Glucosylquercetin |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b4 |
| Level: 3, プリカーサーm/z: 303.09030 |
| Splash: splash10-0a70-0290000000-04e3d6ef468d78ca42df |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 257.05 | 1723 | 46 | 1000 |
| 285.10 | 1009 | 18 | 585 |
| 229.00 | 940 | 74 | 545 |
| 165.03 | 804 | 138 | 466 |
| 247.06 | 452 | 56 | 262 |
| 136.97 | 348 | 166 | 202 |
| 153.00 | 248 | 150 | 143 |
| 303.15 | 191 | -0 | 110 |
| 274.09 | 190 | 29 | 110 |
| 275.14 | 129 | 28 | 74 |
| 201.15 | 123 | 102 | 71 |
| 110.98 | 110 | 192 | 63 |
| 213.05 | 108 | 90 | 62 |
| 219.05 | 96 | 84 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.765 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | 3,5,7,2',5'-Pentahydroxyflavone |
| 0.765 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Viscidulin I |
| 0.722 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Rhynchosin |
| 0.722 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Melanoxetin |
| 0.722 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Quercetin |
| 0.722 | [Flavonol]-A(2OH)-B(2OH) | Flavonol | Morin |
| 0.632 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | Robinetin |
| 0.632 | [Flavonol]-A(1OH)-B(3OH) | Flavonol | 3,7,2',3',4'-Pentahydroxyflavone |
| 0.600 | [Flavone]-A(2OH)-B(3OH) | Flavone | Tricetin |
| 0.600 | [Flavone]-A(2OH)-B(3OH) | Flavone | Isoetin |
| 0.500 | [Flavone]-A(3OH)-B(2OH) | Flavone | 6-Hydroxyluteolin |
| 0.500 | [Flavone]-A(3OH)-B(2OH) | Flavone | Hypolaetin |
| 0.476 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | 6-Hydroxykaempferol |
| 0.476 | [Flavonol]-A(3OH)-B(1OH) | Flavonol | Herbacetin |
| 0.471 | [Isoflavone]-A(3OH)-B(2OH) | Isoflavone | 5,7,8,2',4'-Pentahydroxyisoflavone |
| 0.375 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Ferreirin |
| 0.375 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe) | Isoflavanone | Isoferreirin |
| 0.333 | [Anthocyanidin]-A(2OH)-B(3OH) | Anthocyanidin | Delphinidin |
| 0.333 | [Anthocyanidin]-A(3OH)-B(2OH) | Anthocyanidin | 6-Hydroxycyanidin |
| 0.294 | [Isoflavanone]-A(1OH)-B(2OH, 1OMe) | Isoflavanone | 7,2',3'-Trihydroxy-4'-methoxyisoflavanone |
| 0.263 | [Chalcone]-A(2OH)-B(2OH, 1OMe) | Chalcone | 3,4,3',4'-Tetrahydroxy-2-methoxychalcone |
| 0.176 | [Dihydroflavonol]-A(2OH)-B(1OMe) | Dihydroflavonol | Aromadendrin 4'-methyl ether |
| 0.158 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Okanin 4-methyl ether |
| 0.158 | [2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',4',6'-Tetrahydroxy-3-methoxychalcone |
| 0.143 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Alysifolinone |
| 0.143 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Homoeriodictyol |
| 0.143 | [Flavanone]-A(2OH)-B(1OH, 1OMe) | Flavanone | Hesperetin |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxybutin |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Scutamoenin |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-7-methoxyflavanone |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Eriodictyol 5-methyl ether |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Sternbin |
| 0.143 | [Flavanone]-A(1OH, 1OMe)-B(2OH) | Flavanone | Artocarpanone |
| 0.133 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | 3,5,8-Trihydroxy-7-methoxyflavanone |
| 0.133 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5-methyl ether |
| 0.133 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 7-methyl ether |
| 0.125 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe) | Flavan 3-ol | Afzelechin 5,4'-dimethyl ether |
| 0.118 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin 3-methyl ether |
| 0.111 | [Dihydroflavonol]-A(2OH, 1OMe)-B(none) | Dihydroflavonol | Alnustinol |
| 0.100 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Lanceoletin |
| 0.091 | [Flavanone]-A(3OH, 1OMe)-B(none) | Flavanone | Oresbiusin |
| 0.091 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 0.091 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,8,2'-Trihydroxy-7-methoxyflavanone |
| 0.091 | [Flavanone]-A(2OH, 1OMe)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methoxyflavanone |
| 0.091 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 4'-O-Methylcarthamidin |
| 0.091 | [Flavanone]-A(3OH)-B(1OMe) | Flavanone | 5,7,8-Trihydroxy-4'-methoxyflavanone |
| 0.067 | [Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH) | Dihydroflavonol | 3-O-Methyl-2,3-trans-fustin |
| 0.059 | [Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavan | 5-Methoxyvestitol |
| 0.059 | [Isoflavan]-A(2OMe)-B(2OH) | Isoflavan | Lotisoflavan |
| 0.059 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Sphaerosin |
| 0.059 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | 4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-) |
| 0.059 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Mucronulatol |
| 0.059 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Isomucronulatol |
| 0.059 | [Isoflavan]-A(1OH)-B(1OH, 2OMe) | Isoflavan | Methoxyvestitol |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OH) | Dihydrochalcone | Dihydroflavokawain C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 2OMe) | Dihydrochalcone | 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Lusianin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | Calomelanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe) | Dihydrochalcone | 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | Dihydropashanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 2OMe)-B(none) | Dihydrochalcone | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| 0.000 | [Aurone]-A(2OH)-B(3OH) | Aurone | Bracteatin |
| 0.000 | [Auronol]-A(1OH)-B(1OH, 1OMe) | Auronol | 2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(1OH, 1OMe)-B(1OH) | Auronol | Carpusin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe) | Dihydrochalcone alpha-ol | Odoratol |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Ceratiolin |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 5,7,3',5'-Tetrahydroxy-6-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(2OH) | Flavanone | 6-C-Methyleriodictylol |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1Methyl) | Flavanone | 5'-C-Methyleriodictylol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH) | Dihydroflavonol | 6-Methylaromadendrin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none) | Flavan 4-ol | 4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Peltogynan-4-alpha-ol |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | Mopanan-4-alpha-ol |
| 0.000 | [Flavan]-A(2OH)-B(2OMe) | Flavan | Diffutidin |
| 0.000 | [Flavan]-A(2OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-5,7-dimethoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe) | Pterocarpan-6a-ol | 6a,7-Dihydroxymedicarpin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Haematoxylin |