ピーク情報

リーフレタスグリーン

pos

Peak #11169 MN MID: SE198_S12_M90

m/z: 427.10610, RT: 62.44, 強度: 850977, ログ強度: 2.43, 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: (2 names) 8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate;(3-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazol-5-yl)methanol

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.071

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 1

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
C19H22O9S	426.09845	0.872	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate	KNApSAcK: C00033598
C18H17O3N4SF3	426.09735	3.470	(3-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazol-5-yl)methanol	HMDB: HMDB0249906

MSnスペクトル情報

Level: 2, プリカーサーm/z: 427.10516

Splash: splash10-000l-0079000000-79fa33073c77f661c87c

m/z	Int.	NL	Rel.Int.
338.88	9927	88	1000
241.04	9183	186	925
329.14	2721	98	274
259.02	1385	168	139
213.07	522	214	52

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
[Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl))	Flavan 3-ol	Afzelechin 3-O-gallate
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Gallocatechin 3-O-p-hydroxybenzoate
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Dihydrochalcone	2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone
[Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH)	Dihydrochalcone	3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone
[Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH)	Dihydrochalcone	4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone
[Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone VIII
[Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none)	Flavanone	Tephrorin A
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH)	Flavanone	Kushenol T
[Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin E
[Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavan	Broussoflavan A
[6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxyrotenone	Villosin
[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Dalbinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Villosinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	11-Hydroxytephrosin

Level: 3, プリカーサーm/z: 241.02777

Splash: splash10-03di-0590000000-cfa3f55e6009c0638b06

m/z	Int.	NL	Rel.Int.
213.14	1439	28	1000
195.01	415	46	288
223.13	376	18	261
185.11	306	56	212
170.90	237	70	164
197.12	237	44	164
211.06	164	30	114
166.95	88	74	61

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[2'-Hydroxychalcone]-A(2OH)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxychalcone
0.250	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	2,2'-Dihydroxychalcone
0.250	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxychalcone
0.235	[Flavanone]-A(1OH)-B(none)	Flavanone	7-Hydroxyflavanone
0.231	[Chalcone]-A(none)-B(2OH)	Chalcone	3,4-Dihydroxychalcone
0.231	[Chalcone]-A(1OH)-B(1OH)	Chalcone	3,3'-Dihydroxychalcone
0.231	[Chalcone]-A(1OH)-B(1OH)	Chalcone	4,4'-Dihydroxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',beta-Dihydroxychalcone

Level: 3, プリカーサーm/z: 338.86957

Splash: splash10-0006-0090000000-2217d8a8823f9679c4da

m/z	Int.	NL	Rel.Int.
241.10	763	98	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyderricin
0.071	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Bavachalcone
0.071	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isoxanthohumol(Helichrysum)
0.071	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
0.067	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Methoxy-7-hydroxy-8-C-prenylflavanone
0.067	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Tephrinone
0.067	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Hydroxy-7-methoxy-6-C-prenylflavanone
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
0.045	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-8-prenylflavone
0.045	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-6-prenylflavone
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Wighteone
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Lupiwighteone
0.000	[Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Isowighteone
0.000	[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavone	Yinyanghuo D
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	5,7,4'-Trihydroxy-6-prenylflavone
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	Licoflavone C
0.000	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licochalcone C
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Citflavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Paratocarpin K
0.000	[2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Mallotus A
0.000	[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	[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