ピーク情報

シロイヌナズナ　地上部

pos

Peak #10227 MN MID: SE200_S1_M90

m/z: 856.54498, RT: 88.73, 強度: 200555, ログ強度: 1.55, アダクト: [M+CH3OH+CH5N+H]+, [M+2(CH3OH)-2(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	4.155	Stichoposide	HMDB: HMDB0258497
C43H68O13	792.46599	4.155	Sanguisorbin E	HMDB: HMDB0040523
C47H69O8P	792.47301	-4.697	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: 856.54315

Splash: splash10-0002-0002059000-b15e0cba5086343e34df

m/z	Int.	NL	Rel.Int.
595.39	18169	261	1000
613.36	11391	243	626
645.50	10321	211	568
627.49	4777	229	262
471.48	2280	385	125
349.21	2267	507	124
631.43	1702	225	93
353.32	1691	503	93
321.25	1310	535	72
275.21	1236	581	68
367.23	1234	489	67

Level: 3, プリカーサーm/z: 595.39166

Splash: splash10-00di-0061910000-b6eef9d08b4ccb0583b6

m/z	Int.	NL	Rel.Int.
471.41	2016	124	1000
275.25	886	320	439
349.21	236	246	116
247.16	221	348	109
577.40	188	18	93
229.22	153	366	75
293.25	130	302	64
539.49	122	56	60
265.12	118	330	58

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Flavone]-A(2OH, 2(C-Glu))-B(1OH)	Flavone	Vicenin 2
0.071	[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: 613.34833

Splash: splash10-0002-0043290000-363adbdeaebb6e5da2ed

m/z	Int.	NL	Rel.Int.
595.48	495	18	1000
275.27	144	338	290
349.18	108	264	217
489.45	84	124	170
471.37	62	142	124
321.38	56	292	113
577.54	44	36	88
247.23	42	366	85
265.18	36	348	72
229.08	28	384	55
367.12	25	246	50

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
10227	88.73	856.54498	0.0000	1.55	[M+CH3OH+CH5N+H]+, [M+2(CH3OH)-2(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
	88.75	807.49369	-49.0513	1.53	[M+CH3OH+H]+, [M+H]+			MS2			1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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FlavonoidSearch結果

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