ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #10238 MN MID: SE203_S31_M90 |
| m/z: 429.33664, RT: 56.25, 強度: 14692, ログ強度: 0.51, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (35 names) Stoloniferone E;(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol;1-Keto-24-methylcalcifediol;(7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol;(5Z,7E)-(1S,3S)-1-hydroxym... |
| DBごとのヒット数: ALL 30 KG 2 KN 10 HM 2 LM 16 |
| FlavonoidSearch最大スコア MS2: 0.053, MS3: 0.062 |
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 |
|---|---|---|---|---|
| C28H44O3 | 428.32905 | 0.751 | (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol | HMDB: HMDB0039602 |
| C28H44O3 | 428.32905 | 0.751 | Stoloniferone E | KNApSAcK: C00046431 LipidMAPS: LMST01031093 |
| C28H44O3 | 428.32905 | 0.751 | 1-Keto-24-methylcalcifediol | HMDB: HMDB0243913 LipidMAPS: LMST03060003 |
| C28H44O3 | 428.32905 | 0.751 | 9,10-seco-1,3,5(10),24(28)-ergostatetraen-3,8beta,9alpha-triol | LipidMAPS: LMST03010074 |
| C28H44O3 | 428.32905 | 0.751 | (7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol | LipidMAPS: LMST03010036, LMST03010037 |
| C28H44O3 | 428.32905 | 0.751 | (5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol | LipidMAPS: LMST03020578, LMST03020579 |
| C28H44O3 | 428.32905 | 0.751 | 3,5-Dihydroxyergosta-7,22-dien-6-one | HMDB: HMDB0031953 LipidMAPS: LMST01031190 |
| C28H44O3 | 428.32905 | 0.751 | 5alpha,8alpha-epidioxy-24-methyl-cholesta-6,24(28)-dien-3beta-ol | LipidMAPS: LMST01031273 |
| C28H44O3 | 428.32905 | 0.751 | Griffinisterone A | KNApSAcK: C00048720, C00048721 |
| C28H44O3 | 428.32905 | 0.751 | 3beta,4beta-dihydroxyergosta-24(28)-en-23-one | LipidMAPS: LMST01031162 |
| C28H44O3 | 428.32905 | 0.751 | (24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol | HMDB: HMDB0242655 LipidMAPS: LMST03010048, LMST03010049 |
| C28H44O3 | 428.32905 | 0.751 | Ercalcitriol | HMDB: HMDB0006225, HMDB0242362 LipidMAPS: LMST03010032, LMST03010033, LMST03010040, LMST03010041, LMST03010042, LMST03010043, LMST03010044, LMST03010045, LMST03010046, LMST03010047 |
| C28H44O3 | 428.32905 | 0.751 | Nandrolone decanoate | HMDB: HMDB0015694, HMDB0250911 KEGG: C08154 |
| C28H44O3 | 428.32905 | 0.751 | Griffinisterone G | KNApSAcK: C00048726 |
| C28H44O3 | 428.32905 | 0.751 | (5Z,7E,22E)-(3S-9,10-seco-5,7,10(19),22-ergostatetraene-3,4,25-triol | LipidMAPS: LMST03010079 |
| C28H44O3 | 428.32905 | 0.751 | Calendulasterolide | KNApSAcK: C00054986 |
| C28H44O3 | 428.32905 | 0.751 | (3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol | HMDB: HMDB0032108 |
| C28H44O3 | 428.32905 | 0.751 | 24R-methyl-ergosta-5,7,22E-trien-1,3beta,25-triol | LipidMAPS: LMST03030003 |
| C28H44O3 | 428.32905 | 0.751 | Methyl 3beta-hydroxy-cholest-5,22E-dien-19-oate | LipidMAPS: LMST01010337 |
| C28H44O3 | 428.32905 | 0.751 | 5alpha,9alpha-epoxy-ergosta-7,22E-dien-3beta,6beta-diol | LipidMAPS: LMST01031304, LMST01031305 |
| C28H44O3 | 428.32905 | 0.751 | (5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,26-triol | LipidMAPS: LMST03010050 |
| C28H44O3 | 428.32905 | 0.751 | Tylopiol B | KNApSAcK: C00047117 |
| C28H44O3 | 428.32905 | 0.751 | (5Z,7E,22E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020322 |
| C28H44O3 | 428.32905 | 0.751 | (5Z,7E,22E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol | LipidMAPS: LMST03020320, LMST03020323, LMST03020324 |
| C28H44O3 | 428.32905 | 0.751 | Gibberoketosterol C | KNApSAcK: C00041544 |
| C28H44O3 | 428.32905 | 0.751 | 4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol | HMDB: HMDB0062385, [-1]HMDB0304192 KEGG: C22112 LipidMAPS: LMST01010152, LMST01010522 |
| C28H44O3 | 428.32905 | 0.751 | Topsentisterol B5 | HMDB: HMDB0032863 KNApSAcK: C00041929 |
| C28H44O3 | 428.32905 | 0.751 | 11alpha-hydroxy-5beta,6beta-epoxy-ergost-2-en-1-one | LipidMAPS: LMST01031073 |
| C28H44O3 | 428.32905 | 0.751 | Topsentisterol B4 | HMDB: HMDB0034541 KNApSAcK: C00041928 LipidMAPS: LMST01031268 |
| C28H44O3 | 428.32905 | 0.751 | 5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol | HMDB: HMDB0037941 KNApSAcK: C00030200 LipidMAPS: LMST01031175, LMST01031274 |
| C28H44O3 | 428.32905 | 0.751 | 1,24(S)-Dihydroxyvitamin D2 | HMDB: HMDB0244149 LipidMAPS: LMST03010062 |
| C28H44O3 | 428.32905 | 0.751 | (7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol | LipidMAPS: LMST03010038, LMST03010039 |
| C28H44O3 | 428.32905 | 0.751 | (5Z,7E)-(1S,3R)-18-methylidene-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol | LipidMAPS: LMST03020321 |
| C28H44O3 | 428.32905 | 0.751 | Variecoacetal B | KNApSAcK: C00033465 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 429.33643 |
| Splash: splash10-00di-0091000000-796841aed158d53609b0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.21 | 18831 | 156 | 1000 |
| 371.36 | 4038 | 58 | 214 |
| 271.21 | 3603 | 158 | 191 |
| 255.32 | 1535 | 174 | 81 |
| 411.41 | 1264 | 18 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(3OMe) | Flavanone | Heteroflavanone B |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1-Hydroxy-6-oxo-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate) |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1,2-Dihydroxy-1-methylethyl)dihydrofurano)))-B(2OMe) | Rotenone | Amorphigenol |
| 0.000 | [12a-Hydroxyrotenoid 12-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenoid 12-ol | 12-Dihydrodalbinol |
| Level: 3, プリカーサーm/z: 273.20532 |
| Splash: splash10-0a4i-0190000000-5d610dc4143be0bc1fdb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 255.22 | 8600 | 18 | 1000 |
| 161.06 | 1331 | 112 | 154 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.200 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.167 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.100 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.100 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.091 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.091 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.091 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.077 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.077 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.071 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.071 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 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)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 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: 371.30563 |
| Splash: splash10-00di-0090000000-ac22bc44def3d8c8a578 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.32 | 2192 | 98 | 1000 |
| 255.24 | 159 | 116 | 72 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.063 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 5'-Prenylhomoeriodictyol |
| 0.063 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 4'-Methylsigmoidin B |
| 0.063 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Dioflorin |
| 0.063 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Exiguaflavanone K |
| 0.063 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone |
| 0.063 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | Kenusanone I |
| 0.042 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | Gancaonin P |
| 0.042 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 2'-Prenylrhynchosin |
| 0.042 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralenol |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Torosaflavone D |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydroflavonol | Dioclenol |
| 0.000 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | 3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone |
| 0.000 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Sophoraisoflavanone A |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | 4'-O-Methylkievitone |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | Diphysolidone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-Hydroperoxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dehydrocycloxanthohumol hydratechalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavone]-A(2OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(2OH) | Flavone | Oxidihydroartocarpesin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH) | Dihydroflavonol | 7,8-Dihydrooxepinodihydroquercetin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Dihydroflavonol | Shuterone A |
| 0.000 | [Flavonol]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavonol | Glycyrrhiza flavonol A |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternatin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | 6-Methoxypulcherrimin |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3,4-diol | 4beta-Hydroxyobovatachromene |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | Diplotropin |
| 0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitol |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lunatone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone B |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone D |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe, 1(1,1-Dimethylallyl)) | Isoflavan | Unanisoflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sphenostylin B |
| 0.000 | [6-Oxodehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Oxodehydrorotenone | Stemonone |