ピーク情報

シロイヌナズナ　地上部

pos

Peak #11522 MN MID: SE200_S1_M90

m/z: 829.47375, RT: 94.34, 強度: 791615, ログ強度: 2.26, アダクト: [M+CH3OH-2(H2O)+Na]+, [M+CH3OH+Na]+, [M+Na]+, [M-H2O+Na]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (22 names) Thalictoside I;Goyaglycoside g;PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4));PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17));PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:5(4Z,...

DBごとのヒット数: ALL 22 KN 1 HM 21

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
C43H70O14	810.47656	3.556	Thalictoside I	KNApSAcK: C00032319, C00032320
C43H70O14	810.47656	3.556	Goyaglycoside g	HMDB: HMDB0038350

MSnスペクトル情報

Level: 2, プリカーサーm/z: 829.47113

Splash: splash10-0aor-0000090000-45ccfc23947c32258fd7

m/z	Int.	NL	Rel.Int.
505.34	90246	324	1000
565.42	54826	264	607
537.36	43282	292	479
506.34	20735	323	229
533.38	18782	296	208
566.38	13838	263	153
538.46	10489	291	116

Level: 3, プリカーサーm/z: 505.31989

Splash: splash10-0006-0049000000-38b1938a20001b4f88fa

m/z	Int.	NL	Rel.Int.
343.20	4793	162	1000
391.29	1194	114	249
344.15	1164	161	242
243.10	1121	262	233
287.27	1120	218	233
259.20	571	246	119
203.06	491	302	102
408.51	435	97	90
392.34	395	113	82
277.19	385	228	80
261.11	354	244	73
303.16	259	202	53
407.22	242	98	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Amoricin
[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(1OH, 1OMe)	Flavone	Scoparin 6''-O-acetate
[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1Geranyl)-B(2OH)	3-substituted Flavone	Brosimone H
[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	Flavone	Heterophyllin
[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artocommunol CC
[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon L
[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein D
[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein E
[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussoflavonol D
[Flavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavonol	Poinsettifolin A
[Flavonol]-A(1OH, 1Geranyl, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavonol	Dorsmanin C
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Coumaranochromon	Euchretin C

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	共有数
	94.35	845.44915	15.9754	1.77	[M+CH3OH-H2O+K]+, [M+K]+, [M+CH3OH+H]+	PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ALL 1 LM 1	MS2 MS3 x 2	1
11522	94.34	829.47375	0.0000	2.26	[M+CH3OH-2(H2O)+Na]+, [M+CH3OH+Na]+, [M+Na]+, [M-H2O+Na]+	(22 names) Thalictoside I; Goyaglycoside g; PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)); PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)); PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:5(4Z,...	ALL 22 KN 1 HM 21	MS2 MS3	1
	94.34	824.51737	-4.9564	2.49	[M+CH5N+H]+, [M+NH4]+, [M+CH3OH-2(H2O)+NH4]+, [M-H2O+NH4]+	(2 names) Stichoposide; Sanguisorbin E	ALL 2 HM 2	MS2 MS3	1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報