ピーク情報

シロイヌナズナ　地上部

pos

Peak #10150 MN MID: SE200_S1_M90

m/z: 806.50847, RT: 88.44, 強度: 325015, ログ強度: 1.77, アダクト: [M+CH5N-H2O+H]+, [M+CH5N+IsoProp+Na]+, [M+NH4]+, [M+CH3OH-3(H2O)+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (3 names) PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z));Stichoposide;Sanguisorbin E

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
C47H69O8P	792.47301	-4.346	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	HMDB: HMDB0115425 LipidMAPS: LMGP10010041
C43H68O13	792.46599	4.506	Stichoposide	HMDB: HMDB0258497
C43H68O13	792.46599	4.506	Sanguisorbin E	HMDB: HMDB0040523

MSnスペクトル情報

Level: 2, プリカーサーm/z: 806.50629

Splash: splash10-03di-0000029000-d1b2324990eee19109b1

m/z	Int.	NL	Rel.Int.
613.35	30708	193	1000
595.50	6971	211	227
774.72	1937	32	63

Level: 3, プリカーサーm/z: 613.34979

Splash: splash10-0002-0021090000-386e7c48f4e1d0b35bed

m/z	Int.	NL	Rel.Int.
595.61	575	18	1000
274.96	94	338	163
265.15	85	348	147
594.87	85	18	146
349.26	71	264	123
321.18	64	292	111
577.55	53	36	91
293.45	52	320	91

Level: 3, プリカーサーm/z: 595.49908

Splash: splash10-004j-0092000000-669a28d52a8a071480f6

m/z	Int.	NL	Rel.Int.
275.18	253	320	1000
349.38	165	246	651
293.24	120	302	476
265.21	78	330	308
239.23	32	356	126
247.39	24	348	94
207.27	23	388	91
577.76	21	18	83
521.66	20	74	79
218.76	17	377	67
228.86	17	367	67
187.23	17	408	67

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(1OH)	Flavone	Vicenin 2
[Isoflavone]-A(2OH, 2(C-Glu))-B(1OH)	Isoflavone	Paniculatin
[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
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,6-Di-C-glucosylapigenin
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,8-Di-C-glucopyranosylapigenin
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH)	Flavone	6,8-Di-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-p-coumarate
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH)	Flavone	Elatin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosyltricin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosylapometzgerin

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	FS3	共有数
	88.50	820.52385	14.0154	0.79	[M+CH3OH+CH5N+IsoProp-H2O+Na]+, [M+CH3OH+CH5N-2(H2O)+H]+, [M+C2H7N-H2O+H]+			MS2		1
	88.75	807.49369	0.9852	1.53	[M+CH3OH+H]+, [M+H]+			MS2		1
10150	88.44	806.50847	0.0000	1.77	[M+CH5N-H2O+H]+, [M+CH5N+IsoProp+Na]+, [M+NH4]+, [M+CH3OH-3(H2O)+NH4]+	(3 names) PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Stichoposide; Sanguisorbin E	ALL 3 HM 2 LM 1	MS2 MS3 x 2		1
	88.46	792.49228	-14.0162	2.67	[M+NH4]+	(2 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(10-(1'Z,3'Z-hexadienyloxy)-7Z,9E-decadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; Arabidopside A	ALL 2 KN 1 LM 1	MS2 MS3 x 2	0.038	1
	88.74	789.48260	-17.0259	1.41	[M+CH3OH-2(H2O)+H]+, [M+CH3OH+IsoProp-H2O+Na]+, [M+H]+	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ALL 1 LM 1	MS2		1
	88.48	775.46442	-31.0441	3.21	[M+IsoProp+Na]+, [M+CH3OH+Na]+, [M+H]+			MS2 MS3 x 2		2
	88.76	757.45551	-49.0530	0.54	[M-2(H2O)+H]+, [M+IsoProp-H2O+Na]+	(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		2

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