ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #4636 MN MID: SE203_S31_M90 |
| m/z: 451.12398, RT: 38.98, 強度: 28900, 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）: 9 |
| 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: 0.042 |
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 | 1.101 | 8-C-Glucopyranosyleriodictylol | FlavonoidViewer: FL2FACCS0001 HMDB: HMDB0304673 KNApSAcK: C00006362 LipidMAPS: LMPK12140356 |
| C21H22O11 | 450.11621 | 1.101 | Hovetrichoside C | FlavonoidViewer: FL1BAAGS0001 KNApSAcK: C00014669 LipidMAPS: LMPK12130069 |
| C21H22O11 | 450.11621 | 1.101 | Neocarthamin | FlavonoidViewer: FL2FEAGS0001 HMDB: HMDB0037476 KEGG: C17675 KNApSAcK: C00008231 LipidMAPS: LMPK12140615 |
| C21H22O11 | 450.11621 | 1.101 | 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FHYGS0001 KNApSAcK: C00014328 LipidMAPS: LMPK12140689 |
| C21H22O11 | 450.11621 | 1.101 | Taxifolin 7-rhamnoside | FlavonoidViewer: FL4DACGS0018 KNApSAcK: C00008710 |
| C21H22O11 | 450.11621 | 1.101 | Helicioside A | KNApSAcK: C00035112 |
| C21H22O11 | 450.11621 | 1.101 | Steppogenin 4'-O-beta-D-glucoside | FlavonoidViewer: FL2FALGS0002 KNApSAcK: C00014331 LipidMAPS: LMPK12140460 |
| C21H22O11 | 450.11621 | 1.101 | Rumejaposide D | KNApSAcK: C00034663 |
| C21H22O11 | 450.11621 | 1.101 | Stillopsin | FlavonoidViewer: FL1C2CGS0001 KNApSAcK: C00007913 LipidMAPS: LMPK12120140 |
| C21H22O11 | 450.11621 | 1.101 | Aromadendrin 4'-glucoside | FlavonoidViewer: FL4DAAGS0009 KNApSAcK: C00008677 |
| C21H22O11 | 450.11621 | 1.101 | Isocarthamidin 8-glucoside | FlavonoidViewer: FL2FFAGS0002 KNApSAcK: C00014330 LipidMAPS: LMPK12140665 |
| C21H22O11 | 450.11621 | 1.101 | Aromadendrin 3-glucoside | FlavonoidViewer: FL4DAAGS0002, FL4DAAGS0003 HMDB: HMDB0301924 KNApSAcK: C00008670, C00008671 |
| C21H22O11 | 450.11621 | 1.101 | Marein | FlavonoidViewer: FL1C3CGS0002 HMDB: HMDB0254334 KNApSAcK: C00007893 LipidMAPS: LMPK12120156 |
| C21H22O11 | 450.11621 | 1.101 | Eriodictyol 3'-O-glucoside | FlavonoidViewer: FL2FACGS0006 KNApSAcK: C00008293 LipidMAPS: LMPK12140364 |
| C21H22O11 | 450.11621 | 1.101 | 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside | FlavonoidViewer: FL1BAAGS0002 HMDB: HMDB0031555 KNApSAcK: C00014670 LipidMAPS: LMPK12130070 |
| C21H22O11 | 450.11621 | 1.101 | Phloretin 2'-O-glucuronide | HMDB: HMDB0041768 |
| C21H22O11 | 450.11621 | 1.101 | Dalbergioidin 4'-O-beta-D-glucopyranoside | KNApSAcK: C00019539 |
| C21H22O11 | 450.11621 | 1.101 | 3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside | FlavonoidViewer: FL1CACGS0002 KEGG: C16408 KNApSAcK: C00007915 LipidMAPS: LMPK12120267 |
| C21H22O11 | 450.11621 | 1.101 | 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside | FlavonoidViewer: FL1CACGS0001 KNApSAcK: C00007914 LipidMAPS: LMPK12120266 |
| C21H22O11 | 450.11621 | 1.101 | (2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside | FlavonoidViewer: FL2FACGS0012, FL2FACGS0013 HMDB: HMDB0304672 KNApSAcK: C00014333, C00014334 LipidMAPS: LMPK12140370, LMPK12140371 |
| C21H22O11 | 450.11621 | 1.101 | 6-C-Glucopyranosyldihydrokaempferol | FlavonoidViewer: FL4DAACS0001 KNApSAcK: C00006089 |
| C21H22O11 | 450.11621 | 1.101 | Sinensin | FlavonoidViewer: FL4DAAGS0006 KNApSAcK: C00008674 |
| C21H22O11 | 450.11621 | 1.101 | Aceronidin | KNApSAcK: C00054707 |
| C21H22O11 | 450.11621 | 1.101 | Stepposide | FlavonoidViewer: FL2FALGS0001 KNApSAcK: C00008368 LipidMAPS: LMPK12140459 |
| C21H22O11 | 450.11621 | 1.101 | Fustin 3-glucoside | FlavonoidViewer: FL4D1CGS0001 KNApSAcK: C00008686 |
| C21H22O11 | 450.11621 | 1.101 | 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside | FlavonoidViewer: FL4DA8GS0001 KNApSAcK: C00008692 |
| C21H22O11 | 450.11621 | 1.101 | Macrocarposide | FlavonoidViewer: FLIBALCS0001 KNApSAcK: C00006120 LipidMAPS: LMPK12050478 |
| C21H22O11 | 450.11621 | 1.101 | Okanin 3'-glucoside | FlavonoidViewer: FL1C3CGS0001 KNApSAcK: C00007892 LipidMAPS: LMPK12120155 |
| C21H22O11 | 450.11621 | 1.101 | (2S)-Eriodictyol 7-O-beta-D-glucopyranoside | FlavonoidViewer: FL2FACGS0004 HMDB: HMDB0029544 KNApSAcK: C00008291 LipidMAPS: LMPK12140362 |
| C21H22O11 | 450.11621 | 1.101 | Cyanidin-3-o-beta-glucopyranoside | HMDB: HMDB0250605 |
| C21H22O11 | 450.11621 | 1.101 | 8-C-Glucosyldihydrokaempferol | FlavonoidViewer: FL4DAACS0002 KNApSAcK: C00014023 |
| C21H22O11 | 450.11621 | 1.101 | Isookaninglucoside | FlavonoidViewer: FL2F3CGS0001 KNApSAcK: C00008282 LipidMAPS: LMPK12140092 |
| C21H22O11 | 450.11621 | 1.101 | (2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside | FlavonoidViewer: FL4DA9GS0002, FL4DA9GS0003, FL4DA9GS0004 KNApSAcK: C00014413, C00014414, C00014415 |
| C21H22O11 | 450.11621 | 1.101 | Astilbin | FlavonoidViewer: FL4DACGS0011, FL4DACGS0012, FL4DACGS0013, FL4DACGS0014 HMDB: HMDB0033850, HMDB0242667 KEGG: C17449, C09803 KNApSAcK: C00008703, C00008704, C00008705, C00008706 LipidMAPS: LMPK12140722 |
| C21H22O11 | 450.11621 | 1.101 | Aspalalinin | KNApSAcK: C00055270 |
| C21H22O11 | 450.11621 | 1.101 | 5,7,2',5'-Tetrahydroxyflavanone 7-glucoside | FlavonoidViewer: FL2FA8GS0004 KNApSAcK: C00014332 LipidMAPS: LMPK12140109 |
| C21H22O11 | 450.11621 | 1.101 | Dihydrorhamnetin 3-O-beta-D-arabinopyranoside | FlavonoidViewer: FL4DBCGS0001 KNApSAcK: C00014412 |
| C21H22O11 | 450.11621 | 1.101 | 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: 451.12381 |
| Splash: splash10-000i-0090100000-7dcf56e50fd2eda32e62 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 289.05 | 5855 | 162 | 1000 |
| 433.07 | 1117 | 18 | 190 |
| 271.11 | 332 | 180 | 56 |
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: 289.10730 |
| Splash: splash10-0fk9-0390000000-e214e2a5179b3485c248 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 271.16 | 180 | 18 | 1000 |
| 153.03 | 112 | 136 | 619 |
| 243.22 | 63 | 46 | 352 |
| 270.28 | 42 | 19 | 230 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.600 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxyflavanone |
| 0.333 | [Dihydroflavonol]-A(2OH)-B(1OH) | Dihydroflavonol | Aromadendrin |
| 0.333 | [Dihydroflavonol]-A(1OH)-B(2OH) | Dihydroflavonol | Fustin |
| 0.300 | [Isoflavanone]-A(2OH)-B(2OH) | Isoflavanone | Dalbergioidin |
| 0.231 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Neoplathymenin |
| 0.231 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | Okanin |
| 0.214 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Plathymenin |
| 0.214 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Isookanin |
| 0.182 | [2'-Hydroxychalcone]-A(3OH)-B(2OH) | 2'-Hydroxychalcone | 3,4,2',4',6'-Pentahydroxychalcone |
| 0.167 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',6'-Tetrahydroxyflavanone |
| 0.167 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxyflavanone |
| 0.167 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Eriodictyol |
| 0.167 | [Flavanone]-A(2OH)-B(2OH) | Flavanone | Steppogenin |
| 0.167 | [Dihydrochalcone]-A(1OH)-B(2OH, 1OMe) | Dihydrochalcone | Loureirin D |
| 0.143 | [2'-Hydroxychalcone]-A(2OH)-B(3OH) | 2'-Hydroxychalcone | Robtein |
| 0.077 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Carthamidin |
| 0.077 | [Flavanone]-A(3OH)-B(1OH) | Flavanone | Isocarthamidin |
| 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 | [Dihydrochalcone]-A(2OH)-B(1OH, 1OMe) | Dihydrochalcone | 4,2',4'-Trihydroxy-3-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OMe) | Dihydrochalcone | 2',4',6'-Trihydroxy-4-methoxydihydrochalcone |
| 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 |
| Level: 3, プリカーサーm/z: 433.30472 |
| Splash: splash10-014s-0019200000-1b3326d36f2f46617eb3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 415.02 | 82 | 18 | 1000 |
| 385.28 | 61 | 48 | 739 |
| 397.25 | 58 | 36 | 706 |
| 355.15 | 44 | 78 | 540 |
| 313.32 | 32 | 120 | 386 |
| 297.12 | 27 | 136 | 329 |
| 367.15 | 17 | 66 | 208 |
| 379.37 | 17 | 54 | 208 |
| 686.35 | 11 | -253 | 138 |
| 387.12 | 10 | 46 | 119 |
| 304.53 | 10 | 129 | 116 |
| 394.38 | 7 | 39 | 88 |
| 177.32 | 6 | 256 | 78 |
| 415.70 | 6 | 18 | 75 |
| 339.16 | 6 | 94 | 69 |
| 271.29 | 5 | 162 | 60 |
| 301.38 | 5 | 132 | 55 |
| 340.96 | 4 | 92 | 53 |
| 283.12 | 4 | 150 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.190 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Neovitexin |
| 0.190 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Vitexin |
| 0.190 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH) | Flavone | Isovitexin |
| 0.190 | [Flavonol]-A(1OH, 1(C-Glu))-B(1OH) | Flavonol | 8-C-Glucosylresokaempferol |
| 0.190 | [Isoflavone]-A(1OH, 1(C-Glu))-B(2OH) | Isoflavone | 8-Glucosyl 3'-hydroxydaidzein |
| 0.190 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH) | Isoflavone | Genistein 8-C-glucoside |
| 0.000 | [Flavone]-A(3OMe)-B(4OMe) | Flavone | Agehoustin B |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | 5,6,7,8,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(3OMe) | Flavone | Agecorynin C |
| 0.000 | [Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe) | Chalcone | 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe) | Flavanone | Calomelanol G |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 8-C-beta-D-Galactopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-beta-D-Galactosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH) | Flavone | 6-C-Chinovopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH) | Flavone | 6-C-Fucopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH) | Flavone | 8-C-Rhamnopyranosylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe) | Flavone | 5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Artocommunol CA |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | 3,5,6,7,3',4',5'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Benthamitin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(3OMe) | Flavonol | Hibiscetin heptamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OMe) | Flavonol | 3,5,6,7,8,3',4'-Heptamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Flavonol | 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone |