ピーク情報

リーフレタスグリーン

pos

Peak #8493 MN MID: SE198_S12_M90

m/z: 502.26539, RT: 49.70, 強度: 122156, ログ強度: 1.59, アダクト: [2M+C2H7N+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (14 names) 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol;3-O-Methylpaeonisuffral;(+)-3-O-Methylpaeonisuffral;Glycerol 1,2-dimethacrylate;Loganetin;(+)-cyclopentanecarboxylic acid;Xanthocidin;(+)-Xant...

DBごとのヒット数: ALL 10 KN 5 HM 3 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.167

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C11H16O5	228.09977	1.580	2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol	LipidMAPS: LMFA05000013
C11H16O5	228.09977	1.580	3-O-Methylpaeonisuffral	KNApSAcK: C00032653
C11H16O5	228.09977	1.580	Glycerol 1,2-dimethacrylate	HMDB: HMDB0252838
C11H16O5	228.09977	1.580	Loganetin	KEGG: C22676 KNApSAcK: C00036132
C11H16O5	228.09977	1.580	(+)-cyclopentanecarboxylic acid	KNApSAcK: C00018734
C11H16O5	228.09977	1.580	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid	KNApSAcK: C00010643
C11H16O5	228.09977	1.580	Decarestrictin E	KNApSAcK: C00016723
C11H16O5	228.09977	1.580	Propyl propane thiosulfonate	HMDB: HMDB0032496
C11H16O5	228.09977	1.580	8-oxo-3S-carboxy-2-methylidenenonanoic acid	LipidMAPS: LMFA01170148
C12H12ON4	228.10111	-4.283	3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole	HMDB: HMDB0249731

MSnスペクトル情報

Level: 2, プリカーサーm/z: 502.26529

Splash: splash10-0a4r-0100900000-0ad9879e7fad283defdc

m/z	Int.	NL	Rel.Int.
438.99	7806	63	1000
456.98	7381	45	945
191.11	2589	311	331
421.15	1586	81	203
208.98	1004	293	128

Level: 3, プリカーサーm/z: 438.99277

Splash: splash10-0006-0900300000-7895c37a265feb9d291a

m/z	Int.	NL	Rel.Int.
191.07	834	248	1000
403.16	179	36	215
421.09	178	18	213
133.05	50	306	59
336.98	45	102	54
231.06	42	208	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Maackiaflavanone
0.111	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone D
0.111	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone C
0.111	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl))	2'-Hydroxychalcone	Antiarone E
0.105	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH)	Flavanone	Amoradicin
0.105	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Hiravanone
0.105	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Flemiflavanone A
0.074	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol E
0.074	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol D
0.053	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Isosophoranone
0.053	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Sophoraisoflavanone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Homoflemingin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Flemiwallichin C
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Kuraridin
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone B
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone F
0.000	[Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-Hydroxy-3-methyl-1-butenyl))	Flavanone	Burttinone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(1-Hydroxy-3-methyl-2,3-epoxybutyl))-B(1OH)	Flavanone	1'''-Hydroxy-2''',3'''-Epoxylupinifolin
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavanone	4'-O-Methyldiplacone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Flavanone	5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Isokurarinone
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Leachianone A
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Kurarinone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(1OH, 1OMe)	Flavanone	Leachianone B
0.000	[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	6,3'-(2-hydroxy-3-methyl-3-butenyl)apigenin
0.000	[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusinol
0.000	[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusignin L
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol B
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid methyl este
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol C
0.000	[Flavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Flavonol	Kushenol C
0.000	[Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisol B
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(2-hydroxy-3-methyl-3-butenyl))	Isoflavone	Lupinisol C
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisoflavone H
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone I
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone J
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone B
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone C
0.000	[Isoflavan]-A(2OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licorisoflavan A
0.000	[6-Hydroxydehydrorotenone (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Villinol

Level: 3, プリカーサーm/z: 456.98007

Splash: splash10-000i-0120900000-4d00fe352e85b92837f7

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

m/z	Int.	NL	Rel.Int.
439.03	71	18	1000
421.08	30	36	427
209.12	25	248	348
191.16	16	266	229
328.28	7	129	95
456.35	5	1	73
359.28	5	98	70

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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