ピーク情報

はつか大根　葉

pos

Peak #8914 MN MID: SE202_S21_M90

m/z: 565.19013, RT: 60.85, 強度: 19716, ログ強度: 0.84, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol;Deoxyloganin tetraacetate;Lucidumoside B

DBごとのヒット数: ALL 3 KG 1 KN 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.083

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
C25H34O13	542.19994	1.790	6-O-(3,4,5-trimethoxybenzoyl)-ajugol	KNApSAcK: C00035510
C25H34O13	542.19994	1.790	Deoxyloganin tetraacetate	KEGG: C11646, C11650 LipidMAPS: LMPR0102070019, LMPR0102070021
C25H34O13	542.19994	1.790	Lucidumoside B	KNApSAcK: C00033127

Level: 2, プリカーサーm/z: 565.19025

Splash: splash10-00di-0000090000-e513d9645f809b7b84a7

m/z	Int.	NL	Rel.Int.
521.31	14034	44	1000
479.37	1304	86	92

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin 1
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Schaftoside
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	Isocorymboside
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH)	Flavone	Neocorymboside
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-Galactopyranosyl-8-C-xylopyranosylapigenin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH)	Flavone	Vicenin 3
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Isoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Neoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	Neoisoschaftoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Apiofuranosyl))-B(1OH)	Flavone	6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Galactosyl))-B(1OH)	Flavone	Corymboside

Level: 3, プリカーサーm/z: 521.29504

Splash: splash10-00or-0026900000-770102bb997f1e340fca

m/z	Int.	NL	Rel.Int.
479.28	775	42	1000
317.15	634	204	818
299.19	207	222	267
465.26	140	56	180
461.25	116	60	149
503.36	109	18	140
359.22	82	162	106
245.03	65	276	84
243.14	40	278	51

Level: 3, プリカーサーm/z: 479.25763

Splash: splash10-00or-0093100000-687e764aabcb1bd1b067

m/z	Int.	NL	Rel.Int.
275.17	48	204	1000
317.18	32	162	670
257.28	15	222	308
423.25	14	56	287
299.28	10	180	215
245.02	9	234	179
359.38	4	120	79

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavonol	Keyakinin B
0.000	[Dihydrochalcone]-A(3OH)-B(1OH, 1(C-Prenyl), 1Geranyl)	Dihydrochalcone	3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone
0.000	[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(3OH)	Flavonol	8-C-Rhamnosyleuropetin

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
	60.89	588.26632	23.0762	0.67	[M+C2H7N+H]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2	MS2		1
	60.85	581.16442	15.9743	0.92	[M+K]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2	MS2 MS3		1
	60.86	574.25090	9.0608	0.09	[M+CH5N+H]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2			1
8914	60.85	565.19013	0.0000	0.84	[M+Na]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2	MS2 MS3 x 2	0.083	2
	60.87	560.23427	-4.9559	1.86	[M+NH4]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2	MS2		5
	60.87	543.20806	-21.9821	1.98	[M+H]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2			5
	60.88	525.19791	-39.9922	0.52	[M-H2O+H]+	(3 names) 6-O-(3,4,5-trimethoxybenzoyl)-ajugol; Deoxyloganin tetraacetate; Lucidumoside B	ALL 3 KG 1 KN 2			2