ピーク情報

シロイヌナズナ　地上部

pos

Peak #11520 MN MID: SE200_S1_M90

m/z: 838.53432, RT: 94.33, 強度: 492020, ログ強度: 1.89, アダクト: [M+C2H7N+H]+, [M+CH3OH+CH5N+IsoProp+Na]+, [M+CH3OH+CH5N-H2O+H]+, [M+2(CH3OH)-3(H2O)+NH4]+, [M+NH4]+, 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) Stichoposide;Sanguisorbin E;PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

DBごとのヒット数: ALL 3 HM 2 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C43H68O13	792.46599	4.037	Stichoposide	HMDB: HMDB0258497
C43H68O13	792.46599	4.037	Sanguisorbin E	HMDB: HMDB0040523
C47H69O8P	792.47301	-4.815	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB: HMDB0115425 LipidMAPS: LMGP10010041

MSnスペクトル情報

Level: 2, プリカーサーm/z: 838.53223

Splash: splash10-002b-0000097000-1253f3c97eec1ad5a0be

m/z	Int.	NL	Rel.Int.
595.32	23465	243	1000
627.41	17567	211	748
613.29	4377	225	186
349.28	2547	489	108
577.46	1458	261	62

Level: 3, プリカーサーm/z: 595.32373

Splash: splash10-00fs-0052920000-3e09e7dd89ed5e4f69f8

m/z	Int.	NL	Rel.Int.
471.42	3632	124	1000
275.26	1713	320	471
349.27	1363	246	375
577.42	706	18	194
247.19	428	348	117
445.35	417	150	114
457.29	330	138	90
293.27	268	302	73
539.52	254	56	70
521.52	239	74	65
257.22	207	338	57

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.063	[Flavone]-A(2OH, 2(C-Glu))-B(1OH)	Flavone	Vicenin 2
0.063	[Isoflavone]-A(2OH, 2(C-Glu))-B(1OH)	Isoflavone	Paniculatin
0.000	[UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone	Safflor yellow A
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,6-Di-C-glucosylapigenin
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,8-Di-C-glucopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH)	Flavone	6,8-Di-C-galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-p-coumarate
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH)	Flavone	Elatin
0.000	[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosyltricin
0.000	[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosylapometzgerin

Level: 3, プリカーサーm/z: 627.40558

Splash: splash10-002b-0093480000-3cfc854d2a9ac8770219

m/z	Int.	NL	Rel.Int.
595.42	2562	32	1000
275.17	2148	352	838
471.42	732	156	285
349.34	606	278	236
489.36	412	138	160
381.33	404	246	157
477.31	288	150	112
293.27	284	334	110
247.32	217	380	84
577.54	170	50	66
257.25	159	370	61

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 2(C-Glu))-B(3OH)	Flavone	6,8-Di-C-glucopyranosyltricetin
0.000	[Flavone]-A(2OH, 1((O-<2,4,5-Trihydroxycinnamoyl>)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-(2,4,5-dihydroxycinnamante)

関連ピーク情報

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	FS2	FS3	共有数
11520	94.33	838.53432	0.0000	1.89	[M+C2H7N+H]+, [M+CH3OH+CH5N+IsoProp+Na]+, [M+CH3OH+CH5N-H2O+H]+, [M+2(CH3OH)-3(H2O)+NH4]+, [M+NH4]+	(3 names) Stichoposide; Sanguisorbin E; PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ALL 3 HM 2 LM 1	MS2 MS3 x 2			2
	94.17	820.52221	-18.0121	1.55	[M+C2H7N+IsoProp+Na]+, [M+CH3OH+CH5N+IsoProp-H2O+Na]+, [M+CH3OH+CH5N-2(H2O)+H]+, [M+C2H7N-H2O+H]+, [M+NH4]+	(5 names) Lycogalinoside B; Gagunin B; Lycogalinoside A; Gagunin O; (+)-Gagunin O	ALL 4 KN 4				1

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MSnスペクトル情報

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