ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #7380 MN MID: SE203_S31_M90 |
| m/z: 503.19190, RT: 46.47, 強度: 263902, ログ強度: 1.76, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 11 |
| DB検索結果: (10 names) Deoxytryptoquialanine;Asp f I;Limonexic acid;Flavaprin;Massonianoid A;Abacopterin B;(-)-Abacopterin B;Abacopterin A;(-)-Abacopterin A;Limonexic acid |
| DBごとのヒット数: ALL 8 KN 7 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.038 |
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 |
|---|---|---|---|---|
| C27H26O6N4 | 502.18523 | -1.219 | Deoxytryptoquialanine | KNApSAcK: C00052257 |
| C27H26O6N4 | 502.18523 | -1.219 | Tryptoquivaline I | HMDB: HMDB0260310 KNApSAcK: C00023562 |
| C26H30O10 | 502.18390 | 1.444 | Phellodensin F | FlavonoidViewer: FL2FAAGI0002 KNApSAcK: C00014360 LipidMAPS: LMPK12140229 |
| C26H30O10 | 502.18390 | 1.444 | Limonexic acid | KNApSAcK: C00041044 |
| C26H30O10 | 502.18390 | 1.444 | Massonianoid A | KNApSAcK: C00051494 |
| C26H30O10 | 502.18390 | 1.444 | Abacopterin B | KNApSAcK: C00041301 |
| C26H30O10 | 502.18390 | 1.444 | Limonexic acid | HMDB: HMDB0036075 |
| C26H30O10 | 502.18390 | 1.444 | Abacopterin A | KNApSAcK: C00041300 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 503.19153 |
| Splash: splash10-00di-0209100000-18e8e25169f93fc3f0f6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 323.26 | 14926 | 180 | 1000 |
| 341.27 | 7219 | 162 | 483 |
| 422.33 | 6036 | 81 | 404 |
| 325.15 | 5110 | 178 | 342 |
| 175.08 | 5043 | 328 | 337 |
| 311.14 | 3468 | 192 | 232 |
| 163.06 | 1422 | 340 | 95 |
| 160.99 | 1237 | 342 | 82 |
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 |
| Level: 3, プリカーサーm/z: 323.25458 |
| Splash: splash10-03dm-0970000000-6b30b9e3b675e078531b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 160.99 | 4289 | 162 | 1000 |
| 291.22 | 3493 | 32 | 814 |
| 199.09 | 1370 | 124 | 319 |
| 295.17 | 1041 | 28 | 242 |
| 136.89 | 838 | 186 | 195 |
| 259.10 | 357 | 64 | 83 |
| 308.06 | 300 | 15 | 70 |
| 292.31 | 291 | 31 | 67 |
| 263.08 | 254 | 60 | 59 |
| 132.96 | 219 | 190 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.150 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone I |
| 0.150 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Kanzonol B |
| 0.095 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | 4'-Hydroxyisolonchocarpin |
| 0.095 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Flemichapparin A |
| 0.095 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Isobavachromene |
| 0.095 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromene |
| 0.083 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol D |
| 0.083 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Licoflavone A |
| 0.080 | [Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Neobavaisoflavone |
| 0.063 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Neorautenol |
| 0.063 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Phaseollin |
| 0.063 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Isoneorautenol |
| 0.056 | [Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Chalcone | Munsericin |
| 0.043 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Derricin |
| 0.042 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(none) | Flavanone | Isoderricin A |
| 0.040 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavone | 7,4'-Dihydroxy-8-prenylflavone |
| 0.040 | [Flavone]-A(2OH, 1(C-Prenyl))-B(none) | Flavone | 5,7-Dihydroxy-8-prenylflavone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | 3-Hydroxyisolonchocarpin |
| 0.000 | [Flavan 3-ol]-A(4OH)-B(2OH) | Flavan 3-ol | Elephantorrhizol |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | Ovalitenin C |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(2OMe) | Flavone | Millettocalyxin C |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavonol | 3,4'-Dimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(3OH) | Flavan 3,4-diol | Gallocatechin-4-ol |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | isoflavene | Glabrene |
| Level: 3, プリカーサーm/z: 341.33240 |
| Splash: splash10-03di-0410920000-10b35284215b31363493 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 414.40 | 4148 | -73 | 1000 |
| 123.98 | 937 | 217 | 225 |
| 558.40 | 904 | -217 | 217 |
| 136.96 | 416 | 204 | 100 |
| 267.99 | 292 | 73 | 70 |
| 175.15 | 279 | 166 | 67 |
| 105.81 | 252 | 236 | 60 |
| 217.02 | 247 | 124 | 59 |
| 559.02 | 238 | -218 | 57 |
| 250.10 | 232 | 91 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.038 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Broussochalcone A |
| 0.038 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Flavanone | Euchrenone a7 |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Kushenol S |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | 6-Prenylnaringenin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Sophoraflavanone B |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Licoflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 8-Prenylpinobanksin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 6-Prenylpinobanksin |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavanone | Dihydrowighteone |
| 0.000 | [Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-prenylisoflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH) | 2'-Hydroxychalcone | Morachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Psorachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Bakuchalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helikrausichalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | 5'-Prenyllicodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Kanzonol A |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Dihydrochalcone | Crotin (chalcone) |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavanone | Brosimacutin D |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Brosimacutin E |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | Ugonin E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavanone | 5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavone | 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Pulcherrimin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavan | 2'-O-Methylphaseollidinisoflavan |
| 0.000 | [Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Isoflavan | Millinol B |
| 0.000 | [Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylpreglabridin |
| 0.000 | [isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | isoflavan-4-ol | Ambanol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Pterocarpan | 10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sandwicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollidin I |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Licocoumarone |