ピーク情報
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＜調味料類＞（トマト加工品類）トマトケチャップ
pos
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| Peak #3402 MN MID: SE122_S170361_M90 |
| m/z: 451.12378, RT: 43.48, 強度: 32879, ログ強度: 1.00, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 23 |
| DB検索結果: (43 names) Eriodictyol-8-C-glucoside;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Neocarthamin;2,5,7,4'-Tetrahydroxyflavanone 7-glucoside;Taxifolin 7-rhamnoside;Helicioside A;(+)-Helicioside A;5,7,2',... |
| DBごとのヒット数: ALL 38 KG 3 KN 33 HM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.667 |
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 |
|---|---|---|---|---|
| C21H22O11 | 450.11621 | 0.655 | 8-C-Glucopyranosyleriodictylol | FlavonoidViewer: FL2FACCS0001 HMDB: HMDB0304673 KNApSAcK: C00006362 LipidMAPS: LMPK12140356 |
| C21H22O11 | 450.11621 | 0.655 | Hovetrichoside C | FlavonoidViewer: FL1BAAGS0001 KNApSAcK: C00014669 LipidMAPS: LMPK12130069 |
| C21H22O11 | 450.11621 | 0.655 | Neocarthamin | FlavonoidViewer: FL2FEAGS0001 HMDB: HMDB0037476 KEGG: C17675 KNApSAcK: C00008231 LipidMAPS: LMPK12140615 |
| C21H22O11 | 450.11621 | 0.655 | 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FHYGS0001 KNApSAcK: C00014328 LipidMAPS: LMPK12140689 |
| C21H22O11 | 450.11621 | 0.655 | Taxifolin 7-rhamnoside | FlavonoidViewer: FL4DACGS0018 KNApSAcK: C00008710 |
| C21H22O11 | 450.11621 | 0.655 | Helicioside A | KNApSAcK: C00035112 |
| C21H22O11 | 450.11621 | 0.655 | Steppogenin 4'-O-beta-D-glucoside | FlavonoidViewer: FL2FALGS0002 KNApSAcK: C00014331 LipidMAPS: LMPK12140460 |
| C21H22O11 | 450.11621 | 0.655 | Rumejaposide D | KNApSAcK: C00034663 |
| C21H22O11 | 450.11621 | 0.655 | Stillopsin | FlavonoidViewer: FL1C2CGS0001 KNApSAcK: C00007913 LipidMAPS: LMPK12120140 |
| C21H22O11 | 450.11621 | 0.655 | Aromadendrin 4'-glucoside | FlavonoidViewer: FL4DAAGS0009 KNApSAcK: C00008677 |
| C21H22O11 | 450.11621 | 0.655 | Isocarthamidin 8-glucoside | FlavonoidViewer: FL2FFAGS0002 KNApSAcK: C00014330 LipidMAPS: LMPK12140665 |
| C21H22O11 | 450.11621 | 0.655 | Aromadendrin 3-glucoside | FlavonoidViewer: FL4DAAGS0002, FL4DAAGS0003 HMDB: HMDB0301924 KNApSAcK: C00008670, C00008671 |
| C21H22O11 | 450.11621 | 0.655 | Marein | FlavonoidViewer: FL1C3CGS0002 HMDB: HMDB0254334 KNApSAcK: C00007893 LipidMAPS: LMPK12120156 |
| C21H22O11 | 450.11621 | 0.655 | Eriodictyol 3'-O-glucoside | FlavonoidViewer: FL2FACGS0006 KNApSAcK: C00008293 LipidMAPS: LMPK12140364 |
| C21H22O11 | 450.11621 | 0.655 | 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside | FlavonoidViewer: FL1BAAGS0002 HMDB: HMDB0031555 KNApSAcK: C00014670 LipidMAPS: LMPK12130070 |
| C21H22O11 | 450.11621 | 0.655 | Phloretin 2'-O-glucuronide | HMDB: HMDB0041768 |
| C21H22O11 | 450.11621 | 0.655 | Dalbergioidin 4'-O-beta-D-glucopyranoside | KNApSAcK: C00019539 |
| C21H22O11 | 450.11621 | 0.655 | 3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside | FlavonoidViewer: FL1CACGS0002 KEGG: C16408 KNApSAcK: C00007915 LipidMAPS: LMPK12120267 |
| C21H22O11 | 450.11621 | 0.655 | 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside | FlavonoidViewer: FL1CACGS0001 KNApSAcK: C00007914 LipidMAPS: LMPK12120266 |
| C21H22O11 | 450.11621 | 0.655 | (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside | FlavonoidViewer: FL2FACGS0012, FL2FACGS0013 HMDB: HMDB0304672 KNApSAcK: C00014333, C00014334 LipidMAPS: LMPK12140370, LMPK12140371 |
| C21H22O11 | 450.11621 | 0.655 | 6-C-Glucopyranosyldihydrokaempferol | FlavonoidViewer: FL4DAACS0001 KNApSAcK: C00006089 |
| C21H22O11 | 450.11621 | 0.655 | Sinensin | FlavonoidViewer: FL4DAAGS0006 KNApSAcK: C00008674 |
| C21H22O11 | 450.11621 | 0.655 | Aceronidin | KNApSAcK: C00054707 |
| C21H22O11 | 450.11621 | 0.655 | Stepposide | FlavonoidViewer: FL2FALGS0001 KNApSAcK: C00008368 LipidMAPS: LMPK12140459 |
| C21H22O11 | 450.11621 | 0.655 | Fustin 3-glucoside | FlavonoidViewer: FL4D1CGS0001 KNApSAcK: C00008686 |
| C21H22O11 | 450.11621 | 0.655 | 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside | FlavonoidViewer: FL4DA8GS0001 KNApSAcK: C00008692 |
| C21H22O11 | 450.11621 | 0.655 | Macrocarposide | FlavonoidViewer: FLIBALCS0001 KNApSAcK: C00006120 LipidMAPS: LMPK12050478 |
| C21H22O11 | 450.11621 | 0.655 | Okanin 3'-glucoside | FlavonoidViewer: FL1C3CGS0001 KNApSAcK: C00007892 LipidMAPS: LMPK12120155 |
| C21H22O11 | 450.11621 | 0.655 | (2S)-Eriodictyol 7-O-beta-D-glucopyranoside | FlavonoidViewer: FL2FACGS0004 HMDB: HMDB0029544 KNApSAcK: C00008291 LipidMAPS: LMPK12140362 |
| C21H22O11 | 450.11621 | 0.655 | Cyanidin-3-o-beta-glucopyranoside | HMDB: HMDB0250605 |
| C21H22O11 | 450.11621 | 0.655 | 8-C-Glucosyldihydrokaempferol | FlavonoidViewer: FL4DAACS0002 KNApSAcK: C00014023 |
| C21H22O11 | 450.11621 | 0.655 | Isookaninglucoside | FlavonoidViewer: FL2F3CGS0001 KNApSAcK: C00008282 LipidMAPS: LMPK12140092 |
| C21H22O11 | 450.11621 | 0.655 | (2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside | FlavonoidViewer: FL4DA9GS0002, FL4DA9GS0003, FL4DA9GS0004 KNApSAcK: C00014413, C00014414, C00014415 |
| C21H22O11 | 450.11621 | 0.655 | Astilbin | FlavonoidViewer: FL4DACGS0011, FL4DACGS0012, FL4DACGS0013, FL4DACGS0014 HMDB: HMDB0033850, HMDB0242667 KEGG: C17449, C09803 KNApSAcK: C00008703, C00008704, C00008705, C00008706 LipidMAPS: LMPK12140722 |
| C21H22O11 | 450.11621 | 0.655 | Aspalalinin | KNApSAcK: C00055270 |
| C21H22O11 | 450.11621 | 0.655 | 5,7,2',5'-Tetrahydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FA8GS0004 KNApSAcK: C00014332 LipidMAPS: LMPK12140109 |
| C21H22O11 | 450.11621 | 0.655 | Dihydrorhamnetin 3-O-beta-D-arabinopyranoside | FlavonoidViewer: FL4DBCGS0001 KNApSAcK: C00014412 |
| C21H22O11 | 450.11621 | 0.655 | Eriodictyol 5-O-glucoside | FlavonoidViewer: FL2FACGS0003 KNApSAcK: C00008290 LipidMAPS: LMPK12140361 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 451.12369 |
| Splash: splash10-000i-0090000000-2d13f91ee798c950155d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 289.06 | 1336 | 162 | 1000 |
| 433.11 | 94 | 18 | 70 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(2OH) | Flavanone | 8-C-Glucopyranosyleriodictylol |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(2OH) | Flavanone | 5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside |
| 0.000 | [Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3a-acetoxy-3-oxofuro[2,3-c]pyrano)))-B(none) | Flavone | Tephrodin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Dihydrocycloartomunin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloaltilisin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Dihydroisocycloartomunin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin T |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydroflavonol | 6-C-Glucosylaromadendrin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH) | Dihydroflavonol | 8-C-Glucosylaromadendrin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Broussoflavonol A |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b5 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Cajaisoflavone |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Glu))-B(2OH) | Isoflavanone | Macrocarposide |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Coumaranochromon | 8-Prenyllisetin |
| Level: 3, プリカーサーm/z: 289.05051 |
| Splash: splash10-0ik9-0910000000-f6cd550adde0b6f9c31d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 163.03 | 224 | 126 | 1000 |
| 152.87 | 144 | 136 | 643 |
| 179.05 | 83 | 110 | 370 |
| 253.09 | 44 | 36 | 197 |
| 145.04 | 42 | 144 | 188 |
| 271.12 | 37 | 18 | 166 |
| 246.95 | 19 | 42 | 83 |
| 137.17 | 18 | 152 | 79 |
| 204.87 | 15 | 84 | 68 |
| 187.02 | 15 | 102 | 66 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.667 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.667 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.667 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.667 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.583 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.533 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.533 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.467 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.467 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.467 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.286 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.250 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.250 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 0.188 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.083 | [Dihydrochalcone]-A(1OH)-B(2OH, 1OMe) | Dihydrochalcone | Loureirin D |
| 0.083 | [Dihydrochalcone]-A(2OH)-B(1OH, 1OMe) | Dihydrochalcone | 4,2',4'-Trihydroxy-3-methoxydihydrochalcone |
| 0.083 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 0.077 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.077 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | Asebogenin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone | 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone | Dihydrocalythropsin |
| 0.000 | [Auronol]-A(1OH)-B(2OH) | Auronol | 2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone |
| 0.000 | [Auronol]-A(2OH)-B(1OH) | Auronol | Maesopsin |
| 0.000 | [alpha-Hydroxychalcone]-A(2OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',4',alpha-Pentahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone alpha-ol | 4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe) | Dihydrochalcone alpha-ol | 2',4',alpha-Trihydroxy-4-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(1OH) | 2-Hydroxyflavanone | 2,5,7,4'-Tetrahydroxyflavanone |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | Cyanomaclurin |
| 0.000 | [CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [4,2']-Epoxyflavan 3-ol | 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 1OMe) | Flavan | 7,3',5'-Trihydroxy-4'-methoxyflavan |