ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #4786 MN MID: SE203_S31_M90 |
| m/z: 387.20152, RT: 39.40, 強度: 152710, ログ強度: 1.53, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 19 |
| DB検索結果: (17 names) (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside;2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside;Sonchuionoside A;(-)-Sonchuionoside A;... |
| DBごとのヒット数: ALL 13 KN 10 HM 2 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.045, MS3: 0.121 |
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 |
|---|---|---|---|---|
| C19H30O8 | 386.19407 | 0.462 | (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside | KNApSAcK: C00034988 |
| C19H30O8 | 386.19407 | 0.462 | 2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside | LipidMAPS: LMFA02020207 |
| C19H30O8 | 386.19407 | 0.462 | Sonchuionoside C | HMDB: HMDB0035212 |
| C19H30O8 | 386.19407 | 0.462 | Citroside B | HMDB: HMDB0030370 KNApSAcK: C00029980, C00054961 |
| C19H30O8 | 386.19407 | 0.462 | Sonchuionoside A | KNApSAcK: C00043017 |
| C19H30O8 | 386.19407 | 0.462 | Junipeionoloside | KNApSAcK: C00041022 |
| C19H30O8 | 386.19407 | 0.462 | Apocynoside I | KNApSAcK: C00029703, C00031824 |
| C19H30O8 | 386.19407 | 0.462 | (6R,9S)-Roseoside | HMDB: HMDB0029772 KNApSAcK: C00029329, C00031467, C00031468, C00032855 |
| C19H30O8 | 386.19407 | 0.462 | Icariside B1 | KNApSAcK: C00031388, C00031825, C00037294 |
| C19H30O8 | 386.19407 | 0.462 | Staphylionoside A | KNApSAcK: C00031385 |
| C19H30O8 | 386.19407 | 0.462 | Macarangioside D | KNApSAcK: C00030700 |
| C19H30O8 | 386.19407 | 0.462 | Icariside B2 | KNApSAcK: C00030506, C00033839 |
| C20H26O4N4 | 386.19541 | -3.001 | 8-(3,4-Dimethoxyphenyl)-7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione | HMDB: HMDB0244693 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 387.20102 |
| Splash: splash10-0aor-0195000000-55ae1bcfd7a0e63de534 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 207.02 | 1805 | 180 | 1000 |
| 369.08 | 767 | 18 | 424 |
| 225.07 | 604 | 162 | 334 |
| 368.28 | 238 | 19 | 131 |
| 189.10 | 210 | 198 | 116 |
| 351.27 | 200 | 36 | 110 |
| 224.45 | 165 | 163 | 91 |
| 149.04 | 155 | 238 | 85 |
| 378.86 | 130 | 8 | 72 |
| 378.20 | 97 | 9 | 53 |
| 161.08 | 96 | 226 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.045 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone |
| 0.040 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kushenol V |
| 0.040 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kushenol W |
| 0.040 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kenusanone D |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | 2'-Hydroxychalcone | 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Flavanone | Calomelanol J |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none) | Flavone | Fulvinervin B |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe) | Flavone | 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Linderoflavone B |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Topazolin hydrate |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe) | Flavonol | Icaritin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplexin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternin |
| 0.000 | [Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| 0.000 | [Flavan 3,4-diol (4-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| 0.000 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Isoflavone | Kwakhurin hydrate |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe) | Isoflavone | Irisflorentin |
| 0.000 | [Isoflavone]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone-3-ol]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone-3-ol | Secundifloran |
| Level: 3, プリカーサーm/z: 207.02097 |
| Splash: splash10-03ds-0900000000-f98ecd363fa2ac13d969 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 189.13 | 83 | 18 | 1000 |
| 148.90 | 55 | 58 | 665 |
| 161.08 | 48 | 46 | 579 |
| 164.94 | 19 | 42 | 226 |
| 163.10 | 17 | 44 | 209 |
| 179.05 | 17 | 28 | 205 |
| 122.96 | 14 | 84 | 163 |
| 151.14 | 10 | 56 | 123 |
| 175.25 | 8 | 32 | 97 |
| 146.96 | 8 | 60 | 90 |
| 72.98 | 6 | 134 | 76 |
| 119.17 | 5 | 88 | 58 |
| 107.20 | 5 | 100 | 57 |
| 105.06 | 5 | 102 | 56 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 369.08380 |
| Splash: splash10-0udi-0149000000-e11f42285d247c55f8d0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 351.33 | 56 | 18 | 1000 |
| 207.18 | 28 | 162 | 496 |
| 325.15 | 16 | 44 | 283 |
| 225.20 | 10 | 144 | 171 |
| 319.42 | 9 | 50 | 160 |
| 283.27 | 9 | 86 | 151 |
| 147.21 | 6 | 222 | 110 |
| 123.09 | 6 | 246 | 107 |
| 354.33 | 5 | 15 | 84 |
| 186.05 | 5 | 183 | 83 |
| 316.33 | 5 | 53 | 81 |
| 306.54 | 4 | 63 | 75 |
| 272.87 | 4 | 96 | 66 |
| 109.07 | 3 | 260 | 59 |
| 279.06 | 3 | 90 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.121 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin B |
| 0.121 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone |
| 0.121 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin N |
| 0.121 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Isoflavone | Barpisoflavone B |
| 0.121 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Kwakhurin |
| 0.115 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4'-O-Methylxanthohumol |
| 0.095 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Cannflavin B |
| 0.088 | [Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 2'-Deoxypiscerythrone |
| 0.088 | [Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | Isoflavone | Glisoflavone |
| 0.083 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.083 | [Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinin I |
| 0.071 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Flavanone | Flowerine |
| 0.063 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe) | Flavonol | Noranhydroicaritin 4'-methyl ether |
| 0.042 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Glycyrrhisoflavanone |
| 0.042 | [Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Isosophoronol |
| 0.030 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Sophoflavescenol |
| 0.030 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Isoanhydroicaritin |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Pterocarpan | Edulenol |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | Quercetol C |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Methyl-2,3-epoxybutyl))-B(none) | Flavanone | Epoxycandidone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Hydroxymethyl)-B(1OH) | Flavanone | 4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone]-A(1OH, 2Methyl, 1(1-Methyl-1-([5,4;6,5]-tetrahydrofuran-3-yl)-ethyl))-B(none) | UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone | Louisfieserone A |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Flavone | Ciliatin B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH) | 3-substituted Flavone | Integrin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclochampedol |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone | Cyclointegrin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artoindonesianin P |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | Topazolin |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OMe) | Flavonol | 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavonol | Ugonin C |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan 4-ol | Quercetol B |
| 0.000 | [Flavan-2-ol (2-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan-2-ol | Tephrowatsin D |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavan | Sphaerosinin |
| 0.000 | [Isoflavan]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocinol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OMe) | Pterocarpan | Edulane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OMe) | Pterocarpan-6a-ol | 9-O-Methylglyceofuran |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))-B(1OH) | Coumestan | Corylidin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Malaccol |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerosone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumaranochromon | Lupinalbin E |
| 0.000 | [Coumaranochromon]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Coumaranochromon | Lupinalbin C |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycycoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(1,1-Dimethylallyl))-B(2OH) | 3-Phenylcoumarin | Licoarylcoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Isoglycycoumarin |