ピーク情報
|
イチョウ 葉
pos
|
| Peak #3911 MN MID: SE205_S01_M90 |
| m/z: 627.15620, RT: 41.64, 強度: 21910, ログ強度: 0.80, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (40 names) Myricetin 3-neohesperidoside;Quercetin 3,5-diglucoside;6-Hydroxykaempferol 3,6-diglucoside;Herbacetin 3,8-diglucoside;6,8-Dihydroxykaempferol 3-rutinoside;Hypoletin 8-gentiobioside;Delphinidin 3-genti... |
| DBごとのヒット数: ALL 36 KG 4 KN 29 HM 3 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.182 |
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 |
|---|---|---|---|---|
| C27H30O17 | 626.14830 | 0.999 | Myricetin 3-neohesperidoside | FlavonoidViewer: FL5FAGGS0023 HMDB: HMDB0038287 KNApSAcK: C00013965 LipidMAPS: LMPK12112455 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3,5-digalactoside | FlavonoidViewer: FL5FACGA0011 HMDB: HMDB0302543 KNApSAcK: C00005419 LipidMAPS: LMPK12112051 |
| C27H30O17 | 626.14830 | 0.999 | 6-Hydroxykaempferol 3,6-diglucoside | FlavonoidViewer: FL5FEAGL0002 KNApSAcK: C00005308 LipidMAPS: LMPK12112818 |
| C27H30O17 | 626.14830 | 0.999 | Herbacetin 3,8-diglucoside | HMDB: HMDB0040371 |
| C27H30O17 | 626.14830 | 0.999 | 6,8-Dihydroxykaempferol 3-rutinoside | FlavonoidViewer: FL5FGAGL0001 KNApSAcK: C00005629 LipidMAPS: LMPK12113300 |
| C27H30O17 | 626.14830 | 0.999 | 8-Hydroxyluteolin 8-gentiobioside | FlavonoidViewer: FL3FFCGS0006 HMDB: HMDB0038824 KNApSAcK: C00004422 LipidMAPS: LMPK12111375 |
| C27H30O17 | 626.14830 | 0.999 | Delphinidin 3-gentiobioside | FlavonoidViewer: [1]FL7AAGGL0038 HMDB: [1]HMDB0038006, [1]HMDB0041594 KNApSAcK: [1]C00013564 LipidMAPS: [1]LMPK12010314 |
| C27H30O17 | 626.14830 | 0.999 | Vicenin | HMDB: HMDB0039878, HMDB0302244 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3-gentiobioside | FlavonoidViewer: FL5FACGA0008, FL5FACGL0008, FL5FACGL0011 HMDB: HMDB0301692, HMDB0302574, HMDB0303590 KNApSAcK: C00005399, C00005408, C00005411 LipidMAPS: LMPK12112048, LMPK12112093, LMPK12112096 |
| C27H30O17 | 626.14830 | 0.999 | Delphinidin 3-sophoroside | FlavonoidViewer: [1]FL7AAGGL0004 HMDB: [1]HMDB0038007 KEGG: [1]C16307 KNApSAcK: [1]C00006705 LipidMAPS: [1]LMPK12010280 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3,4'-diglucoside | FlavonoidViewer: FL5FACGL0019 HMDB: HMDB0037363, HMDB0304730 KNApSAcK: C00005436 LipidMAPS: LMPK12112104 |
| C27H30O17 | 626.14830 | 0.999 | Sinocrassoside D2 | KNApSAcK: C00032139 |
| C27H30O17 | 626.14830 | 0.999 | 8-Hydroxyluteolin 7-allosyl-(1->2)-glucoside | FlavonoidViewer: FL3FFCGS0005, FL3FFCGS0018 KNApSAcK: C00004421, C00004518 LipidMAPS: LMPK12111374, LMPK12111387 |
| C27H30O17 | 626.14830 | 0.999 | 6,8-Di-C-glucopyranosyltricetin | FlavonoidViewer: FL3FAGCS0005 KNApSAcK: C00006241 LipidMAPS: LMPK12110836 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 7,4'-diglucoside | FlavonoidViewer: FL5FACGS0039 HMDB: HMDB0037356, HMDB0304757 KNApSAcK: C00005438 LipidMAPS: LMPK12112204 |
| C27H30O17 | 626.14830 | 0.999 | Gossypetin 7-glucosyl-(1->3)-rhamnoside | FlavonoidViewer: FL5FFCGS0008 KNApSAcK: C00005695 LipidMAPS: LMPK12113201 |
| C27H30O17 | 626.14830 | 0.999 | Tricetin 3',5'-diglucoside | FlavonoidViewer: FL3FAGGS0005 KNApSAcK: C00004456 LipidMAPS: LMPK12110843 |
| C27H30O17 | 626.14830 | 0.999 | Delphinidin 3,5-diglucoside | FlavonoidViewer: [1]FL7AAGGL0007 HMDB: [1]HMDB0030693 KEGG: [1]C16312 KNApSAcK: [1]C00006709, [1]C00037021 LipidMAPS: [1]LMPK12010283 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3-laminaribioside | FlavonoidViewer: FL5FACGL0010, FL5FACGS0070 HMDB: HMDB0041358 KNApSAcK: C00005410, C00013842 LipidMAPS: LMPK12112095, LMPK12112235 |
| C27H30O17 | 626.14830 | 0.999 | 6-Hydroxyluteolin 7-O-laminaribioside | KNApSAcK: C00042162 |
| C27H30O17 | 626.14830 | 0.999 | 6-Hydroxyluteolin 7-gentiobioside | FlavonoidViewer: FL3FECGS0018 KNApSAcK: C00004393 LipidMAPS: LMPK12111191 |
| C27H30O17 | 626.14830 | 0.999 | Gossypetin 7-rhamnoside-8-glucoside | FlavonoidViewer: FL5FFCGS0009 KNApSAcK: C00005696 LipidMAPS: LMPK12113202 |
| C27H30O17 | 626.14830 | 0.999 | 6-Hydroxydelphinidin 3-rutinoside | FlavonoidViewer: [1]FL7AEGGL0001 KNApSAcK: [1]C00006752 LipidMAPS: [1]LMPK12010429 |
| C27H30O17 | 626.14830 | 0.999 | 6-Hydroxyluteolin 7-sophoroside | FlavonoidViewer: FL3FECGS0017 KNApSAcK: C00004392 LipidMAPS: LMPK12111190 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3,7-diglucoside | FlavonoidViewer: FL5FACGA0013, FL5FACGL0015 HMDB: HMDB0303592 KNApSAcK: C00005424, C00005427, C00037713 LipidMAPS: LMPK12112053, LMPK12112100 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3,3'-diglucoside | FlavonoidViewer: FL5FACGL0018 HMDB: HMDB0303591 KNApSAcK: C00005435 LipidMAPS: LMPK12112103 |
| C27H30O17 | 626.14830 | 0.999 | Myricetin 3-rhamnoside-3'-glucoside | FlavonoidViewer: FL5FAGGS0024 KNApSAcK: C00013966 LipidMAPS: LMPK12112456 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3-glucosyl-(1->4)-mannoside | FlavonoidViewer: FL5FACGA0005, FL5FACGA0007, FL5FACGS0025 KNApSAcK: C00005396, C00005398, C00005414 LipidMAPS: LMPK12112045, LMPK12112047, LMPK12112190 |
| C27H30O17 | 626.14830 | 0.999 | Quercetin 3-glucosyl-(1->2)-galactoside | FlavonoidViewer: FL5FACGA0006, FL5FACGL0007, FL5FACGL0009 HMDB: HMDB0037537 KEGG: C12667 KNApSAcK: C00005397, C00005407, C00005409 LipidMAPS: LMPK12112046, LMPK12112092, LMPK12112094 |
| C27H30O17 | 626.14830 | 0.999 | Gossypetin 3-rutinoside | FlavonoidViewer: FL5FFCGL0002 KNApSAcK: C00005692 LipidMAPS: LMPK12113181 |
| C27H30O17 | 626.14830 | 0.999 | Myricetin 3-rhamnoside-7-glucoside | FlavonoidViewer: FL5FAGGS0010 KNApSAcK: C00005741 LipidMAPS: LMPK12112442 |
| C27H30O17 | 626.14830 | 0.999 | Herbacetin 8-gentiobioside | FlavonoidViewer: FL5FFAGS0013 KNApSAcK: C00005349 LipidMAPS: LMPK12113127 |
| C27H30O17 | 626.14830 | 0.999 | 6-Hydroxykaempferol 6,7-diglucoside | HMDB: HMDB0039924 |
| C27H30O17 | 626.14830 | 0.999 | Delphinidin 3,7-diglucoside | FlavonoidViewer: [1]FL7AAGGL0008 KEGG: [1]C20496 KNApSAcK: [1]C00006711 LipidMAPS: [1]LMPK12010284 |
| C27H30O17 | 626.14830 | 0.999 | Myricetin-3-O-rutinoside | FlavonoidViewer: FL5FAGGA0002, FL5FAGGL0003 HMDB: HMDB0040861 KNApSAcK: C00005735, C00005737 LipidMAPS: LMPK12112413, LMPK12112422 |
| C27H30O17 | 626.14830 | 0.999 | Myricetin 3-galactoside-3'-rhamnoside | FlavonoidViewer: FL5FAGGA0004 KNApSAcK: C00005744 LipidMAPS: LMPK12112415 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 627.15503 |
| Splash: splash10-014i-0003901000-517b6ec768a0d6f979e7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 465.15 | 4344 | 162 | 1000 |
| 319.20 | 1712 | 308 | 394 |
| 447.18 | 898 | 180 | 206 |
| 429.07 | 491 | 198 | 113 |
| 361.16 | 482 | 266 | 110 |
| 608.47 | 432 | 19 | 99 |
| 609.40 | 407 | 18 | 93 |
| 385.19 | 245 | 242 | 56 |
| 590.42 | 223 | 37 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Flavone]-A(2OH, 2(C-Glu))-B(3OH) | Flavone | 6,8-Di-C-glucopyranosyltricetin |
| 0.000 | [Flavone]-A(2OH, 1((O-<2,4,5-Trihydroxycinnamoyl>)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-(2,4,5-dihydroxycinnamante) |
| Level: 3, プリカーサーm/z: 465.14679 |
| Splash: splash10-01r2-0006900000-2d0d725b134d362c8f6a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 447.12 | 1427 | 18 | 1000 |
| 361.11 | 902 | 104 | 632 |
| 429.19 | 895 | 36 | 627 |
| 319.26 | 216 | 146 | 151 |
| 385.16 | 212 | 80 | 148 |
| 343.13 | 140 | 122 | 98 |
| 331.17 | 140 | 134 | 97 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.182 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Isoaffinetin |
| 0.182 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | Tricetin 8-C-glucopyranoside |
| 0.182 | [Flavone]-A(2OH, 1(C-Glu))-B(3OH) | Flavone | 6-C-beta-D-Glucopyranosylisoetin |
| 0.182 | [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: 319.19739 |
| Splash: splash10-0fk9-0491000000-1e9f584cc46ec4c48ba0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.12 | 198 | 46 | 1000 |
| 245.08 | 87 | 74 | 440 |
| 301.15 | 81 | 18 | 405 |
| 153.05 | 72 | 166 | 365 |
| 263.25 | 44 | 56 | 221 |
| 164.96 | 40 | 154 | 199 |
| 217.04 | 29 | 102 | 143 |
| 290.05 | 26 | 29 | 131 |
| 179.05 | 26 | 140 | 131 |
| 137.09 | 24 | 182 | 121 |
| 195.11 | 22 | 124 | 108 |
| 291.02 | 15 | 28 | 73 |
| 127.01 | 13 | 192 | 64 |
| 110.73 | 12 | 208 | 60 |
| 235.22 | 12 | 84 | 59 |
| 207.11 | 10 | 112 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.619 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.619 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.619 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.619 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.421 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.421 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.421 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.417 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.417 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.308 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.286 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.211 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.176 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.176 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.167 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.150 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.125 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.118 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.111 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.111 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.111 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.111 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.111 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.111 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.050 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.050 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.050 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |