ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #12321 MN MID: SE198_S12_M90 |
| m/z: 353.26903, RT: 95.07, 強度: 7315, ログ強度: 0.37, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9 |
| DB検索結果: (20 names) [10]-Gingerdiol;MG(18:3(6Z,9Z,12Z)/0:0/0:0);Montanol;MG(18:3(9Z,12Z,15Z)/0:0/0:0);MG(0:0/18:3(9Z,12Z,15Z)/0:0);2S-hydroxy-4-oxononadeca-5E,16E-dien-1-yl acetate;1-O-(17-hydroxy-octadeca-1Z,5Z-dien-3-y... |
| DBごとのヒット数: ALL 17 KG 1 KN 7 HM 4 LM 5 |
| FlavonoidSearch最大スコア MS2: 0.143, MS3: - |
|
安定同位体ラベル実験で見積もられた原子数:
N: 0
S: 0
|
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 |
|---|---|---|---|---|
| C21H36O4 | 352.26136 | 1.108 | MG(18:3(6Z,9Z,12Z)/0:0/0:0) | HMDB: HMDB0011569 |
| C21H36O4 | 352.26136 | 1.108 | [10]-Gingerdiol | KNApSAcK: C00035442 |
| C21H36O4 | 352.26136 | 1.108 | Montanol | KEGG: C09137 KNApSAcK: C00003457 |
| C21H36O4 | 352.26136 | 1.108 | MG(18:3(9Z,12Z,15Z)/0:0/0:0) | HMDB: HMDB0011570, HMDB0252853 |
| C21H36O4 | 352.26136 | 1.108 | MG(0:0/18:3(9Z,12Z,15Z)/0:0) | HMDB: HMDB0011540 |
| C21H36O4 | 352.26136 | 1.108 | 2S-hydroxy-4-oxononadeca-5E,16E-dien-1-yl acetate | LipidMAPS: LMFA05000717 |
| C21H36O4 | 352.26136 | 1.108 | 1-O-(17-hydroxy-octadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol | LipidMAPS: LMGL01030008 |
| C21H36O4 | 352.26136 | 1.108 | (-)-Ebelactone B | HMDB: HMDB0251673 KNApSAcK: C00018476 |
| C21H36O4 | 352.26136 | 1.108 | MG(0:0/18:3(6Z,9Z,12Z)/0:0) | HMDB: HMDB0011539 |
| C21H36O4 | 352.26136 | 1.108 | 1-O-(18-hydroxy-octadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol | LipidMAPS: LMGL01030009 |
| C21H36O4 | 352.26136 | 1.108 | Tomentol | KNApSAcK: C00022159 |
| C21H36O4 | 352.26136 | 1.108 | 1,10Z-heptadecadiene-2,3R-dicarboxylic acid | LipidMAPS: LMFA01170127 |
| C21H36O4 | 352.26136 | 1.108 | Pretomentol | KNApSAcK: C00022155 |
| C21H36O4 | 352.26136 | 1.108 | Grandilobatin A | KNApSAcK: C00039291 |
| C21H36O4 | 352.26136 | 1.108 | Sterebin L | KNApSAcK: C00045082, C00045083 |
| C21H36O4 | 352.26136 | 1.108 | Tomentanol | KNApSAcK: C00022158 |
| C21H36O4 | 352.26136 | 1.108 | 2S-hydroxy-4-oxononadeca-16E,18E-dien-1-yl acetate | LipidMAPS: LMFA05000716 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 353.26892 |
| Splash: splash10-03di-0092000000-608e44e5452640749949 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.20 | 1832 | 92 | 1000 |
| 335.34 | 732 | 18 | 399 |
| 243.21 | 540 | 110 | 294 |
| 279.24 | 184 | 74 | 100 |
| 317.23 | 114 | 36 | 62 |
| 177.15 | 93 | 176 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.125 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.125 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.120 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.120 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.118 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.118 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.118 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.118 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.118 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.118 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.087 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.087 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.083 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Edulenanol |
| 0.077 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.077 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.063 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.053 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.053 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.050 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephrosone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none) | 2'-Hydroxychalcone | Epoxyobovatachalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Demethylpraecanson B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclocommunol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3,5,6-Trimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Methylhildgardtol A |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Methylhildgardtol B |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Xuulanin |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavone | Crotarin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone A |
| 0.000 | [Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocin |
| 0.000 | [isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | isoflavene | Neorauflavene |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Edunol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautane |
| 0.000 | [Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH) | Coumestan | Psoralidin oxide |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumestan | Bavacoumestan B |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Coumestan | Bavacoumestan A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Elliptone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Erosone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxydolineone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin D |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH) | Coumaranochromon | Lupinalbin B |
| Level: 3, プリカーサーm/z: 261.20221 |
| Splash: splash10-0006-0950000000-8e105c3821d7682cd2de |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.24 | 95 | 18 | 1000 |
| 149.15 | 33 | 112 | 353 |
| 135.11 | 21 | 126 | 222 |
| 173.16 | 15 | 88 | 158 |
| 145.06 | 14 | 116 | 146 |
| 120.96 | 13 | 140 | 142 |
| 132.89 | 12 | 128 | 127 |
| 131.18 | 12 | 130 | 122 |
| 187.22 | 10 | 74 | 106 |
| 160.95 | 10 | 100 | 103 |
| 146.89 | 9 | 114 | 89 |
| 105.15 | 7 | 156 | 77 |
| 163.10 | 7 | 98 | 74 |
| 201.10 | 6 | 60 | 62 |
| 106.82 | 6 | 154 | 58 |
| 176.89 | 5 | 84 | 52 |
| 158.80 | 5 | 102 | 52 |
| 94.97 | 5 | 166 | 51 |
FlavonoidSearch結果
ヒットなし