ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #5199 MN MID: SE198_S12_M90 |
| m/z: 374.14487, RT: 39.49, 強度: 20726, ログ強度: 0.82, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: Prochlorperazine |
| DBごとのヒット数: ALL 1 KG 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.054 |
|
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 |
|---|---|---|---|---|
| C20H24N3SCl | 373.13795 | -0.949 | Prochlorperazine | HMDB: HMDB0014577 KEGG: C07403, [f]C13524 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 374.14474 |
| Splash: splash10-052r-0019000000-9d4a6ab9a11c0054dde2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 338.93 | 3056 | 35 | 1000 |
| 356.98 | 1992 | 17 | 651 |
| 204.94 | 520 | 169 | 170 |
| 302.97 | 356 | 71 | 116 |
| 356.27 | 340 | 18 | 111 |
| 260.97 | 305 | 113 | 99 |
| 162.89 | 200 | 211 | 65 |
| 355.66 | 185 | 18 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan 3-ol]-A(2OH, 1(2-pyrrolidinon-5-yl))-B(2OH) | Flavan 3-ol | 8-(2-Pyrrolidinon-5-yl)catechin |
| Level: 3, プリカーサーm/z: 338.91693 |
| Splash: splash10-03di-0092000000-2a206910aa0fcf5dc8f7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.08 | 99 | 78 | 1000 |
| 321.07 | 41 | 18 | 416 |
| 215.19 | 23 | 124 | 231 |
| 217.14 | 18 | 122 | 184 |
| 193.05 | 6 | 146 | 63 |
| 283.13 | 6 | 56 | 59 |
| 145.02 | 5 | 194 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Wighteone |
| 0.200 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Lupiwighteone |
| 0.167 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isoxanthohumol(Helichrysum) |
| 0.167 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
| 0.150 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavone | Yinyanghuo D |
| 0.150 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | 5,7,4'-Trihydroxy-6-prenylflavone |
| 0.150 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | Licoflavone C |
| 0.143 | [Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Isowighteone |
| 0.133 | [2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Mallotus A |
| 0.125 | [Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Sandwicensin |
| 0.115 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-8-prenylflavone |
| 0.115 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-6-prenylflavone |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyderricin |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Bavachalcone |
| 0.100 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Methoxy-7-hydroxy-8-C-prenylflavanone |
| 0.100 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Tephrinone |
| 0.100 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
| 0.100 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 4'-Hydroxyisoderricin |
| 0.100 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachinin |
| 0.095 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licochalcone C |
| 0.063 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Citflavanone |
| 0.063 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Paratocarpin K |
| 0.053 | [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 |
| 0.000 | [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: 356.85416 |
| Splash: splash10-01u0-0292000000-23481e2c1d874d5cc7cc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 277.15 | 8 | 80 | 1000 |
| 212.26 | 7 | 145 | 911 |
| 328.29 | 6 | 29 | 819 |
| 267.00 | 6 | 90 | 792 |
| 132.07 | 6 | 225 | 769 |
| 338.02 | 4 | 19 | 478 |
| 211.28 | 3 | 146 | 430 |
| 284.34 | 3 | 73 | 426 |
| 272.46 | 3 | 84 | 423 |
| 235.39 | 3 | 121 | 407 |
| 163.16 | 3 | 194 | 396 |
| 286.10 | 3 | 71 | 391 |
| 226.04 | 3 | 131 | 389 |
| 311.82 | 3 | 45 | 355 |
| 198.91 | 2 | 158 | 301 |
| 234.21 | 2 | 123 | 291 |
| 270.27 | 2 | 87 | 280 |
| 110.07 | 2 | 247 | 264 |
| 221.22 | 2 | 136 | 261 |
| 339.42 | 2 | 17 | 243 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.030 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | 6-Prenyleriodictyol |
| 0.030 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | 8-Prenyleriodictyol |
| 0.030 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | Leachianone G |
| 0.000 | [Flavanone]-A(3OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Flowerone |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavanone | Sigmoidin B |
| 0.000 | [Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavanone | 2'-Prenyleriodictyol |
| 0.000 | [Flavanone]-A(3OH, 1(C-Prenyl))-B(1OH) | Flavanone | 8-Prenylcarthamidin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Dihydroflavonol | Shuterin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Dihydroflavonol | 8-prenylaromadendrin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | 3'-prenylaromadendrin |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | Kievitone |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | Diphysolone |
| 0.000 | [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 |