ピーク情報
|
かき 甘がき 生
pos
|
| Peak #1487 MN MID: SE123_S070491_M90 |
| m/z: 595.14405, RT: 30.93, 強度: 5162, ログ強度: 0.13, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 10 |
| DB検索結果: (31 names) Robinetinidol-(4alpha->2')-robinetinidol-4beta-ol;3-Caffeoylpelargonidin 5-glucoside;Catechin-(4->8)-gallocatechin;Piperitoside;8,9-dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl... |
| DBごとのヒット数: ALL 29 KG 3 KN 24 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.222 |
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 |
|---|---|---|---|---|
| C30H26O13 | 594.13734 | -0.957 | Robinetinidol-(4alpha->2')-robinetinidol-4beta-ol | KNApSAcK: C00009174, C00009175 |
| C30H26O13 | 594.13734 | -0.957 | 3-Caffeoylpelargonidin 5-glucoside | HMDB: [1]HMDB0038087 KNApSAcK: [1]C00054687 |
| C30H26O13 | 594.13734 | -0.957 | Catechin-(4alpha->8)-gallocatechin | HMDB: HMDB0036303, HMDB0302900 KNApSAcK: C00009081, C00009082 |
| C30H26O13 | 594.13734 | -0.957 | Apigenin 7-glucoside-4'-trans-caffeate | FlavonoidViewer: FL3FAAGN0002 HMDB: HMDB0037348 KNApSAcK: C00004184 LipidMAPS: LMPK12110334 |
| C30H26O13 | 594.13734 | -0.957 | 8,9-dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]gallocatechin | KNApSAcK: C00008954 |
| C30H26O13 | 594.13734 | -0.957 | 6-hydroxyluteolin-7-O-(6''-O-cinnamoyl)-beta-D-glucopyranoside | LipidMAPS: LMPK12113409 |
| C30H26O13 | 594.13734 | -0.957 | Tribuloside | FlavonoidViewer: FL5FAAGA0030, FL5FAAGL0069 HMDB: HMDB0040689, HMDB0260223 KEGG: C17140 KNApSAcK: C00005842, C00005851, C00034908, C00055130 LipidMAPS: LMPK12111691, LMPK12111791 |
| C30H26O13 | 594.13734 | -0.957 | Maritimetin 6-(6''-p-coumarylglucoside) | FlavonoidViewer: FL1A3CGS0003 KNApSAcK: C00008052 LipidMAPS: LMPK12130011 |
| C30H26O13 | 594.13734 | -0.957 | Gallocatechin-(4alpha->6)-catechin | KNApSAcK: C00009110 |
| C30H26O13 | 594.13734 | -0.957 | Epimesquitol-(4alpha->6)-epimesquitol-4beta-ol | KNApSAcK: C00009185 |
| C30H26O13 | 594.13734 | -0.957 | 7-O-(4-Hydroxycinnamoyl) astragalin | HMDB: HMDB0040473 |
| C30H26O13 | 594.13734 | -0.957 | 3''-O-Caffeoylcosmosiin | HMDB: HMDB0037345 |
| C30H26O13 | 594.13734 | -0.957 | Kaempferol 3-(5''-feruloylapioside) | FlavonoidViewer: FL5FAAGS0107 HMDB: HMDB0301775 KNApSAcK: C00013774 LipidMAPS: LMPK12111942 |
| C30H26O13 | 594.13734 | -0.957 | Kaempferol 3-(3''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGL0068 KNApSAcK: C00005850 LipidMAPS: LMPK12111790 |
| C30H26O13 | 594.13734 | -0.957 | Hyacinthin | FlavonoidViewer: [1]FL7AACGL0030 HMDB: [1]HMDB0037982, [1]HMDB0303076, HMDB0304304 KEGG: [1]C12095 KNApSAcK: [1]C00006800 LipidMAPS: [1]LMPK12010139 |
| C30H26O13 | 594.13734 | -0.957 | Pelargonidin 3-(6''-caffeylglucoside) | FlavonoidViewer: [1]FL7AAAGL0018 HMDB: HMDB0304450 KEGG: [1]C16297 KNApSAcK: [1]C00006757 LipidMAPS: [1]LMPK12010032 |
| C30H26O13 | 594.13734 | -0.957 | Isoorientin 2''-O-(E)-p-coumarate | FlavonoidViewer: FL3FACCS0035 KNApSAcK: C00006298 LipidMAPS: LMPK12110503 |
| C30H26O13 | 594.13734 | -0.957 | Prodelphinidin C | HMDB: HMDB0037651, HMDB0037653, HMDB0304728 KNApSAcK: C00009111, C00009112, C00009113 |
| C30H26O13 | 594.13734 | -0.957 | 6''-O-Caffeoylcosmosiin | FlavonoidViewer: FL3FAAGS0037 KNApSAcK: C00004173, C00055007 LipidMAPS: LMPK12110371 |
| C30H26O13 | 594.13734 | -0.957 | Kaempferol 3-(4''-p-coumaroylglucoside) | FlavonoidViewer: FL5FAAGS0105 KNApSAcK: C00013772 LipidMAPS: LMPK12111940 |
| C30H26O13 | 594.13734 | -0.957 | Robinetinidol-(4alpha->8)-gallocatechin | KNApSAcK: C00009169 |
| C30H26O13 | 594.13734 | -0.957 | Kaempferol 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGS0060 HMDB: HMDB0040477 KNApSAcK: C00005873 LipidMAPS: LMPK12111896 |
| C30H26O13 | 594.13734 | -0.957 | Desgalloyl theasinensin F | HMDB: HMDB0302412 KNApSAcK: C00008915 |
| C30H26O13 | 594.13734 | -0.957 | 8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside) | FlavonoidViewer: FL3FFAGS0015 KNApSAcK: C00013643 LipidMAPS: LMPK12111353 |
| C30H26O13 | 594.13734 | -0.957 | Kaempferol 3-(2''-p-coumarylglucoside) | FlavonoidViewer: FL5FAAGL0067, FL5FAAGS0104 HMDB: HMDB0038766 KNApSAcK: C00005849, C00013771 LipidMAPS: LMPK12111789, LMPK12111939 |
| C30H26O13 | 594.13734 | -0.957 | Luteolin 7-(2''-p-coumaroylglucoside) | FlavonoidViewer: FL3FACGS0052 KNApSAcK: C00004312 LipidMAPS: LMPK12110687 |
| C30H26O13 | 594.13734 | -0.957 | Luteolin 7-(6''-p-coumarylglucoside) | FlavonoidViewer: FL3FACGS0062 KNApSAcK: C00004324 LipidMAPS: LMPK12110697 |
| C30H26O13 | 594.13734 | -0.957 | Robinetinidol-(4beta->6)-robinetinidol-4alpha-ol | KNApSAcK: C00009170 |
| C30H26O13 | 594.13734 | -0.957 | Epimesquitol-(4alpha->O->4beta)-epimesquitol | KNApSAcK: C00009035 |
| C30H26O13 | 594.13734 | -0.957 | 2''-O-p-Coumaroylorientin | KNApSAcK: C00055279 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 595.14337 |
| Splash: splash10-004i-0031900000-fe4042ae6d95e77eac7d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 427.05 | 1136 | 168 | 1000 |
| 247.11 | 526 | 348 | 463 |
| 443.14 | 497 | 152 | 437 |
| 409.15 | 327 | 186 | 287 |
| 307.01 | 260 | 288 | 228 |
| 301.13 | 238 | 294 | 209 |
| 289.03 | 192 | 306 | 169 |
| 577.08 | 122 | 18 | 107 |
| 291.16 | 121 | 304 | 106 |
| 469.14 | 104 | 126 | 91 |
| 419.26 | 97 | 176 | 85 |
| 451.22 | 88 | 144 | 77 |
| 271.09 | 77 | 324 | 67 |
| 287.25 | 59 | 308 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(1OH) | Flavone | Vicenin 2 |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Glu))-B(1OH) | Isoflavone | Paniculatin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Safflor yellow A |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,6-Di-C-glucosylapigenin |
| 0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH) | 3-substituted Flavone | 3,8-Di-C-glucopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH) | Flavone | 6,8-Di-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-p-coumarate |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe) | Flavone | Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH) | Flavone | Elatin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosyltricin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe) | Flavone | 6,8-Di-C-arabinopyranosylapometzgerin |
| Level: 3, プリカーサーm/z: 247.11247 |
| Splash: splash10-004i-0090000000-795806432cb4c313be33 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.06 | 357 | 18 | 1000 |
| 201.06 | 98 | 46 | 274 |
| 218.98 | 27 | 28 | 74 |
| 162.89 | 20 | 84 | 56 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 427.05304 |
| Splash: splash10-0pb9-0089600000-47fc8e8294c12601b8c5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 301.14 | 352 | 126 | 1000 |
| 409.18 | 267 | 18 | 760 |
| 259.15 | 131 | 168 | 373 |
| 247.03 | 80 | 180 | 226 |
| 275.00 | 79 | 152 | 224 |
| 138.85 | 35 | 288 | 100 |
| 283.07 | 31 | 144 | 87 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl)) | Flavan 3-ol | Afzelechin 3-O-gallate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Gallocatechin 3-O-p-hydroxybenzoate |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH) | Dihydrochalcone | 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH) | Dihydrochalcone | 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone VIII |
| 0.000 | [Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none) | Flavanone | Tephrorin A |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH) | Flavanone | Kushenol T |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin E |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavan | Broussoflavan A |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxyrotenone | Villosin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Dalbinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Villosinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 11-Hydroxytephrosin |