ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
|
| Peak #7817 MN MID: SE203_S11_M90 |
| m/z: 521.12907, RT: 50.18, 強度: 450600, ログ強度: 2.08, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6 |
| DB検索結果: (10 names) Luteolin 7-(2''-glucosyllactate);5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide;Isorhamnetin 3-(6''-acetylglucoside);Petunidin 3-(6''-acetylglucoside);Purifolin;Eujambolin;Methyl 4-O-galloylch... |
| DBごとのヒット数: ALL 9 KN 9 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.400 |
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 |
|---|---|---|---|---|
| C24H24O13 | 520.12169 | 0.198 | Luteolin 7-(2''-glucosyllactate) | FlavonoidViewer: FL3FACGS0059 KNApSAcK: C00004321 LipidMAPS: LMPK12110694 |
| C24H24O13 | 520.12169 | 0.198 | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide | FlavonoidViewer: FL3FF8GS0008 KNApSAcK: C00004526 LipidMAPS: LMPK12111297 |
| C24H24O13 | 520.12169 | 0.198 | Isorhamnetin 3-(6''-acetylglucoside) | FlavonoidViewer: FL5FADGA0020, FL5FADGL0034 KNApSAcK: C00006003, C00006005 LipidMAPS: LMPK12110588, LMPK12112334 |
| C24H24O13 | 520.12169 | 0.198 | Petunidin 3-(6''-acetylglucoside) | FlavonoidViewer: [1]FL7AAHGL0009 HMDB: [1]HMDB0301660, [1]HMDB0301901 KNApSAcK: [1]C00006894 LipidMAPS: [1]LMPK12010356 |
| C24H24O13 | 520.12169 | 0.198 | Purifolin | FlavonoidViewer: FL5FFCGS0019 KNApSAcK: C00006033 LipidMAPS: LMPK12113212 |
| C24H24O13 | 520.12169 | 0.198 | Mearnsetin 3-O-(4''-O-acetyl)-alpha-L-rhamnopyranoside | FlavonoidViewer: FL5FAJGS0003 HMDB: HMDB0037970 KNApSAcK: C00011156 LipidMAPS: LMPK12112503 |
| C24H24O13 | 520.12169 | 0.198 | Isorhamnetin 3-(2''-acetylglucoside) | FlavonoidViewer: FL5FADGL0033 KNApSAcK: C00006004 LipidMAPS: LMPK12112361 |
| C24H24O13 | 520.12169 | 0.198 | 6-Methoxykaempferol 3-(6''-acetylglucoside) | FlavonoidViewer: FL5FEAGL0010 KNApSAcK: C00005935 LipidMAPS: LMPK12112826 |
| C24H24O13 | 520.12169 | 0.198 | Methyl 4-O-galloylchlorogenate | KNApSAcK: C00044928 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 521.12860 |
| Splash: splash10-00di-0091010000-484ba2735b7a86293ffd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.08 | 490347 | 248 | 1000 |
| 503.13 | 70746 | 18 | 144 |
| 315.13 | 47941 | 206 | 97 |
| 485.13 | 40778 | 36 | 83 |
| 381.14 | 36857 | 140 | 75 |
| 297.19 | 25510 | 224 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 273.12402 |
| Splash: splash10-0udi-0900000000-fa045f7fad1e7cdd9c37 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 152.90 | 236404 | 120 | 1000 |
| 178.96 | 50070 | 94 | 211 |
| 147.01 | 23490 | 126 | 99 |
| 120.92 | 15594 | 152 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.400 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.400 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.400 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.400 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.308 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.300 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.231 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.167 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.167 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.143 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.143 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.111 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.000 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.000 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.000 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.000 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.000 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |
| Level: 3, プリカーサーm/z: 503.19208 |
| Splash: splash10-0019-0049600000-9f01dc66b3bb5a7204bb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 485.16 | 13292 | 18 | 1000 |
| 297.18 | 9712 | 206 | 730 |
| 381.20 | 8917 | 122 | 670 |
| 339.25 | 7446 | 164 | 560 |
| 383.15 | 3830 | 120 | 288 |
| 365.11 | 2205 | 138 | 165 |
| 467.22 | 1869 | 36 | 140 |
| 219.07 | 1686 | 284 | 126 |
| 363.07 | 1646 | 140 | 123 |
| 441.06 | 1265 | 62 | 95 |
| 321.03 | 1035 | 182 | 77 |
| 423.49 | 932 | 80 | 70 |
| 235.10 | 910 | 268 | 68 |
| 261.15 | 716 | 242 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Demethoxyisogemichalcone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloheterophyllin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano)))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonin N |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin F |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone | Artonin M |
| 0.000 | [UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone | Artonin O |
| 0.000 | [Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Coumaranochromon | Euchretin A |