ピーク情報
|
トマト Micro-Tom 花
pos
|
| Peak #12552 MN MID: SE203_S31_M90 |
| m/z: 357.30007, RT: 89.70, 強度: 6377, ログ強度: 0.15, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (8 names) Stearoyllactic acid;MG(18:1(11Z)/0:0/0:0);Monoelaidin;Heneicosa-1,21-dioic acid;3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate;MG(0:0/18:1(11Z)/0:0);beta-Monoolein;1,2,3-Trihydroxyhenicos-12-en-4-one |
| DBごとのヒット数: ALL 8 KN 2 HM 3 LM 3 |
| FlavonoidSearch最大スコア MS2: 0.133, MS3: 0.100 |
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 |
|---|---|---|---|---|
| C21H40O4 | 356.29266 | 0.373 | Stearoyllactic acid | HMDB: HMDB0033372 LipidMAPS: LMFA07011021 |
| C21H40O4 | 356.29266 | 0.373 | MG(18:1(11Z)/0:0/0:0) | HMDB: HMDB0011566 LipidMAPS: LMGL01010004 |
| C21H40O4 | 356.29266 | 0.373 | 2,3-Dihydroxypropyl oleate | HMDB: HMDB0011567, HMDB0254854 KNApSAcK: C00040790 LipidMAPS: LMGL01010005 |
| C21H40O4 | 356.29266 | 0.373 | Heneicosa-1,21-dioic acid | LipidMAPS: LMFA01170036 |
| C21H40O4 | 356.29266 | 0.373 | 3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate | HMDB: HMDB0034031 |
| C21H40O4 | 356.29266 | 0.373 | MG(0:0/18:1(11Z)/0:0) | HMDB: HMDB0011536 |
| C21H40O4 | 356.29266 | 0.373 | 1,2,3-Trihydroxyhenicos-12-en-4-one | HMDB: HMDB0255341 |
| C21H40O4 | 356.29266 | 0.373 | beta-Monoolein | HMDB: HMDB0011537, HMDB0247837 KNApSAcK: C00050775 LipidMAPS: LMGL01010024 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 357.29980 |
| Splash: splash10-000i-0049000000-305a0613a39787dce405 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 339.32 | 6291 | 18 | 1000 |
| 265.33 | 1791 | 92 | 284 |
| 247.22 | 1138 | 110 | 180 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.133 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | Kievitone |
| 0.133 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | Diphysolone |
| 0.071 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Dihydroflavonol | Shuterin |
| 0.071 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Dihydroflavonol | 8-prenylaromadendrin |
| 0.071 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | 3'-prenylaromadendrin |
| 0.063 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | 6-Prenyleriodictyol |
| 0.063 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | 8-Prenyleriodictyol |
| 0.063 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | Leachianone G |
| 0.063 | [Flavanone]-A(3OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Flowerone |
| 0.063 | [Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavanone | Sigmoidin B |
| 0.063 | [Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavanone | 2'-Prenyleriodictyol |
| 0.063 | [Flavanone]-A(3OH, 1(C-Prenyl))-B(1OH) | Flavanone | 8-Prenylcarthamidin |
| 0.053 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(3OH) | 2'-Hydroxychalcone | Ramosismin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Brosimacutin G |
| 0.000 | [Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(4-hydroxy-6,6-Dimethyldihydropyrano)))-B(none) | Dihydrochalcone | 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | Dihydrochalcone | 2',4',5''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Dihydrochalcone | alpha,beta-Dihydroxanthohumol |
| 0.000 | [Dihydrochalcone]-A(3OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | 2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))-B(none) | Flavanone | Tephrowatsin C |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Tomentosanol D |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Phellodensin D |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH) | Flavanone | 6-(1,1-Dimethylallyl)eriodictyol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Kenusanone J |
| 0.000 | [Flavone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavone | Brosimacutin F |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavone | Laurifolin (flavonoid) |
| 0.000 | [Flavone]-A(2OH, 1(2-Carboxyvinyl))-B(2OH) | Flavone | Demethyltorosaflavone D |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Ageconyflavone A |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | Kanugin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavonol | Kalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Isokanugin |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3-ol | 8-Prenylafzelechin 5-methyl ether |
| 0.000 | [Flavan 4-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 4-ol | 4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan |
| 0.000 | [Flavan]-A(2OMe, 1(3-hydroxy-3-methylbutyl))-B(none) | Flavan | Nitenin |
| 0.000 | [Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Milldurone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Petalostetin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | 8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Hemerocallone |
| 0.000 | [Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Odoratine |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Iriskumaonin methyl ether |
| 0.000 | [Isoflavanone]-A(1OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-((Z)-4-hydroxyprenyl)isoflavanone |
| 0.000 | [Isoflavan]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavan | alpha,alpha-dimethylallylcyclolobin |
| 0.000 | [Coumestan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan |
| 0.000 | [6-Hydroxydehydrorotenone]-A(3OH)-B(none)-C(1(O-Acetyl)) | 6-Hydroxydehydrorotenone | 6,9,10,11-Tetrahydroxydehydrorotenone 6-O-acetate |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy)) | 4-Hydroxy-3-phenylcoumarin | Derrusnin |
| Level: 3, プリカーサーm/z: 339.34512 |
| Splash: splash10-014j-0790000000-55f1544caa3fc9ce4d7d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 265.30 | 746 | 74 | 1000 |
| 247.20 | 413 | 92 | 553 |
| 163.12 | 123 | 176 | 165 |
| 149.09 | 116 | 190 | 154 |
| 177.02 | 107 | 162 | 143 |
| 191.16 | 83 | 148 | 111 |
| 167.07 | 74 | 172 | 99 |
| 120.99 | 72 | 218 | 96 |
| 321.31 | 63 | 18 | 84 |
| 125.06 | 62 | 214 | 82 |
| 134.98 | 57 | 204 | 76 |
| 195.16 | 54 | 144 | 72 |
| 181.10 | 49 | 158 | 66 |
| 157.15 | 47 | 182 | 62 |
| 153.04 | 44 | 186 | 58 |
| 170.95 | 41 | 168 | 55 |
| 106.95 | 39 | 232 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone |
| 0.100 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavone | Yinyanghuo D |
| 0.100 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | 5,7,4'-Trihydroxy-6-prenylflavone |
| 0.100 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | Licoflavone C |
| 0.100 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licochalcone C |
| 0.097 | [Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Isowighteone |
| 0.080 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Citflavanone |
| 0.080 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Paratocarpin K |
| 0.067 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 4'-Hydroxyisoderricin |
| 0.067 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachinin |
| 0.063 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Wighteone |
| 0.063 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Lupiwighteone |
| 0.054 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-8-prenylflavone |
| 0.054 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-6-prenylflavone |
| 0.038 | [2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Mallotus A |
| 0.033 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyderricin |
| 0.033 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Bavachalcone |
| 0.033 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isoxanthohumol(Helichrysum) |
| 0.033 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
| 0.032 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Methoxy-7-hydroxy-8-C-prenylflavanone |
| 0.032 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Tephrinone |
| 0.032 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Sandwicensin |
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Auronol | Castillene D |
| 0.000 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Chalcone | Licochalcone A |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Ovalitenone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Dihydrochalcone | Crotaramin |
| 0.000 | [Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none) | Flavanone | Falciformin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 6-C-Prenyl-8-C-methylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6-methyl-8-prenylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | Flavonol | 8-(1,1-Dimethylallyl)galangin |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Hildgardtol A |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Hildgardtol B |
| 0.000 | [Flavan]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan | 5,7-Dimethoxy-8-prenylflavan |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranopelargonidin |
| 0.000 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Psoralenol |
| 0.000 | [Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Isoflavone | 6-(1,1-Dimethylallyl)genistein |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Isoflavone | Crotalarin |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Neotenone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | 2'-O-Methylphaseollinisoflavan |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylglabridin |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Ficinin |
| 0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan | Apiocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin III |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin I |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin II |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan-6a-ol | Tuberosin |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2-Phenylbenzofuran | Neoraufurane |
| Level: 3, プリカーサーm/z: 265.28632 |
| Splash: splash10-0002-2690000000-166981f2cfeb3d217877 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 247.28 | 402 | 18 | 1000 |
| 135.03 | 65 | 130 | 162 |
| 94.90 | 63 | 170 | 158 |
| 149.13 | 62 | 116 | 154 |
| 109.01 | 56 | 156 | 139 |
| 163.11 | 44 | 102 | 108 |
| 122.91 | 42 | 142 | 104 |
| 151.00 | 32 | 114 | 79 |
| 80.86 | 27 | 184 | 67 |
| 96.97 | 23 | 168 | 56 |
| 205.56 | 21 | 60 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | 2'-Hydroxychalcone | 2'-Hydroxyfurano[2'',3'':4',3']chalcone |