ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #7929 MN MID: SE198_S12_M90 |
| m/z: 331.13898, RT: 47.68, 強度: 15708, ログ強度: 0.70, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (14 names) Carthamoside B2;Bartsioside;Carthamoside B1;Antirrhide;Antirride;3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside;Tomentoside;Linaride;(±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4'-glucoside;Loasasi... |
| DBごとのヒット数: ALL 13 KN 9 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.286, 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 |
|---|---|---|---|---|
| C15H22O8 | 330.13147 | 0.712 | Carthamoside B2 | KNApSAcK: C00053969 |
| C15H22O8 | 330.13147 | 0.712 | Bartsioside | KNApSAcK: C00010496 |
| C15H22O8 | 330.13147 | 0.712 | Carthamoside B1 | KNApSAcK: C00053968 |
| C15H22O8 | 330.13147 | 0.712 | Antirrhide | KNApSAcK: C00010481 |
| C15H22O8 | 330.13147 | 0.712 | 3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside | HMDB: HMDB0038304 |
| C15H22O8 | 330.13147 | 0.712 | Tomentoside | KNApSAcK: C00043989 |
| C15H22O8 | 330.13147 | 0.712 | Linaride | KNApSAcK: C00010603 |
| C15H22O8 | 330.13147 | 0.712 | threo-1'-(4-Hydroxyphenyl)propane 1',2'-diol 4-O-beta-D-glucopyranoside | HMDB: HMDB0033068 KNApSAcK: C00037117, C00037912 |
| C15H22O8 | 330.13147 | 0.712 | Loasaside | KNApSAcK: C00010533 |
| C15H22O8 | 330.13147 | 0.712 | (±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4'-O-glucoside | HMDB: HMDB0033082 |
| C15H22O8 | 330.13147 | 0.712 | (1'R,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-D-glucopyranoside | KNApSAcK: C00036327, C00036331, C00036335 |
| C17H19N4SF | 330.13145 | 0.778 | Flumezapine | HMDB: HMDB0252339 |
| C16H18O4N4 | 330.13281 | -3.339 | Pseudomonine | HMDB: HMDB0041438 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 331.13885 |
| Splash: splash10-03di-0139000000-9dbe1d2014f40742afc9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 313.26 | 502 | 18 | 1000 |
| 287.21 | 124 | 44 | 247 |
| 285.13 | 62 | 46 | 123 |
| 303.04 | 60 | 28 | 120 |
| 312.61 | 50 | 19 | 100 |
| 150.99 | 41 | 180 | 81 |
| 189.15 | 40 | 142 | 78 |
| 271.16 | 30 | 60 | 60 |
| 316.14 | 28 | 15 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.286 | [Isoflavanone]-A(1OMe)-B(1OH, 2OMe) | Isoflavanone | 3'-Methoxyisosativanone |
| 0.261 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Podospicatin |
| 0.261 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin B |
| 0.261 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | Iristectorigenin A |
| 0.261 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone |
| 0.261 | [Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Isoflavone | 5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone |
| 0.261 | [Isoflavone]-A(1OH, 2OMe)-B(2OH) | Isoflavone | 6-Methoxyorobol 7-methyl ether |
| 0.261 | [Isoflavone]-A(2OH)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-5'-methoxybiochanin A |
| 0.200 | [Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe) | Anthocyanidin | Europinidin |
| 0.200 | [Anthocyanidin]-A(2OH)-B(1OH, 2OMe) | Anthocyanidin | Malvidin |
| 0.200 | [Isoflavanone]-A(1OH)-B(3OMe) | Isoflavanone | 3'-O-Methylviolanone |
| 0.190 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | 3,5,2'-Trihydroxy-7,5'-dimethoxyflavone |
| 0.190 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,3'-dimethyl ether |
| 0.190 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 5,4'-dimethyl ether |
| 0.190 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Rhamnazin |
| 0.190 | [Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Ombuin |
| 0.176 | [Chalcone]-A(1OH, 4OMe)-B(none) | Chalcone | Isodidymocarpin |
| 0.176 | [Flavanone]-A(2OMe)-B(1OH, 1OMe) | Flavanone | 4'-Hydroxy-5,7,2'-trimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(2OMe)-B(1OMe) | Dihydroflavonol | 3-Hydroxy-5,7,4'-trimethoxyflavanone |
| 0.136 | [Flavonol]-A(2OH, 2OMe)-B(none) | Flavonol | 3,5,7-Trihydroxy-6,8-dimethoxyflavone |
| 0.136 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Betuletol |
| 0.136 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | 3,5,6-Trihydroxy-7,4'-dimethoxyflavone |
| 0.136 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Herbacetin 7,4'-dimethyl ether |
| 0.136 | [Flavonol]-A(2OH, 1OMe)-B(1OMe) | Flavonol | Prudomestin |
| 0.136 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 5,6-dimethyl ether |
| 0.136 | [Flavonol]-A(1OH, 2OMe)-B(1OH) | Flavonol | Herbacetin 7,8-dimethyl ether |
| 0.136 | [Flavonol]-A(1OH)-B(1OH, 2OMe) | Flavonol | Laurentinol |
| 0.136 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Morelosin |
| 0.136 | [Flavonol]-A(2OH)-B(2OMe) | Flavonol | Dillenetin |
| 0.125 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,6'-Dihydroxy-2',3',4'-trimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3',4',6'-trimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4,3'-trimethyl ether |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe) | 2'-Hydroxychalcone | Cerasin |
| 0.125 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none) | 2'-Hydroxychalcone | Pedicin |
| 0.111 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Isopedicin |
| 0.111 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | 5-Hydroxy-6,7,8-trimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 3OMe)-B(none) | Flavanone | Kwangsienin A |
| 0.111 | [Flavanone]-A(3OMe)-B(1OH) | Flavanone | 4'-Hydroxy-5,6,7-trimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-6,7,4'-trimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 7-Hydroxy-5,8,2'-trimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 2OMe)-B(1OMe) | Flavanone | 5-Hydroxy-7,8,4'-trimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | 5-Hydroxy-7,2',3'-trimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Eriodictyol 7,3',4'-trimethyl ether |
| 0.111 | [Flavanone]-A(1OH, 1OMe)-B(2OMe) | Flavanone | Cerasinone |
| 0.077 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | 6,7,4'-Trihydroxy-3',5'-dimethoxyflavone |
| 0.077 | [Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,4',5'-Trihydroxy-6,2'-dimethoxyflavone |
| 0.077 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Apometzgerin |
| 0.077 | [Flavone]-A(2OH)-B(1OH, 2OMe) | Flavone | Tricin |
| 0.077 | [Flavone]-A(2OMe)-B(3OH) | Flavone | Isoetin 5,7-dimethyl ether |
| 0.077 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',6'-Trihydroxy-6,7-dimethoxyflavone |
| 0.077 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 6-Hydroxyluteolin 5,6-dimethyl ether |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Jaceosidin |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Desmethoxycentaureidin |
| 0.077 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Cirsiliol |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 7,3'-dimethyl ether |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Nuchensin |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Tamaridone |
| 0.077 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | 5,2',3'-Trihydroxy-7,8-dimethoxyflavone |
| 0.077 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Rehderianin I |
| 0.077 | [Flavone]-A(1OH, 2OMe)-B(2OH) | Flavone | Viscidulin II |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 7,3'-dimethyl ether |
| 0.077 | [Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavone | Hypolaetin 8,3'-dimethyl ether |
| 0.077 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,8,2'-Trihydroxy-6,7-dimethoxyflavone |
| 0.077 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | 5,7,2'-trihydroxy-6,8-dimethoxyflavone |
| 0.077 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Isothymusin |
| 0.077 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Desmethoxysudachitin |
| 0.077 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,8-Trihydroxy-7,4'-dimethoxyflavone |
| 0.077 | [Flavone]-A(2OH, 2OMe)-B(1OH) | Flavone | Thymusin |
| 0.077 | [Flavone]-A(3OH, 1OMe)-B(1OMe) | Flavone | 5,6,7-Trihydroxy-8,4'-dimethoxyflavone |
| 0.071 | [Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | 7-Hydroxy-3,5,4'-trimethoxyflavanone |
| 0.071 | [Pterocarpan]-A(1OH, 2OMe)-B(1OMe) | Pterocarpan | 4-Hydroxy-2,3,9-trimethoxypterocarpan |
| 0.071 | [Pterocarpan]-A(1OH, 1OMe)-B(2OMe) | Pterocarpan | Melilotocarpan C |
| 0.071 | [Pterocarpan]-A(1OH)-B(3OMe) | Pterocarpan | 9-O-Methylphilenopteran |
| 0.071 | [Pterocarpan]-A(2OMe)-B(1OH, 1OMe) | Pterocarpan | Odoricarpan |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none) | Dihydrochalcone beta-ol | beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavanone | 2'-Hydroxymatteucinol |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone | Remerin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl)) | Dihydroflavonol | Aromadendrin 3-O-acetate |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxypeltogynone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | 5-Methoxymopanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7,3',4'-Trihydroxy-3,8-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | 7,8,4'-Trihydroxy-3,3'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe) | Flavonol | Quercetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Caryatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH) | Flavonol | Quercetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 6-C-Methylquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 6-Hydroxykaempferol 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Hydroxykaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OMe) | Flavonol | 5,7,8-Trihydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,7-Dimethylherbacetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH) | Flavonol | Herbacetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none) | Flavonol | 5,7,8-Trihydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavan 3-ol | 3',4'-Methylenedioxy catechin 5,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol | Dryopterin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan | 8-Hydroxy-5,5-dimethylpeltogynan |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Trifolian |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Tephrocarpin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH) | 12a-Hydroxyrotenone | 4,11,12a-Trihydroxy-9-methoxyrotenone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH) | 4-phenylcoumarin | 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin |