ピーク情報

シロイヌナズナ　地上部

pos

Peak #14121 MN MID: SE200_S1_M90

m/z: 820.55878, RT: 104.18, 強度: 218114, ログ強度: 1.71, アダクト: [M+IsoProp-2(H2O)+NH4]+, [M+CH5N+H]+, 共有数（同様のピークを含むサンプル数）: 8

DB検索結果: (5 names) Nephelioside III;Sapinmusaponin H;(-)-Sapinmusaponin H;Sapinmusaponin F;(-)-Sapinmusaponin F

DBごとのヒット数: ALL 3 KN 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C43H70O12	778.48673	2.370	Sapinmusaponin H	KNApSAcK: C00041834
C43H70O12	778.48673	2.370	Nephelioside III	KNApSAcK: C00043766
C43H70O12	778.48673	2.370	Sapinmusaponin F	KNApSAcK: C00041832, C00041833

Level: 2, プリカーサーm/z: 820.55890

Splash: splash10-0a4i-0000109000-98ec3275359141744940

m/z	Int.	NL	Rel.Int.
609.45	24194	211	1000
627.33	7958	193	328
494.41	2521	326	104
349.29	2507	471	103
495.37	2370	325	97
788.63	1392	32	57
567.44	1308	253	54

Level: 3, プリカーサーm/z: 609.45453

Splash: splash10-004i-0090000000-36cf27f5e80c9bf7aebb

m/z	Int.	NL	Rel.Int.
275.20	4173	334	1000
293.18	1718	316	411
257.27	700	352	167
553.51	300	56	71
317.27	257	292	61
591.66	255	18	61
239.15	236	370	56
349.42	213	260	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Flavone]-A(1OH, 1OMe, 2(C-Glu))-B(1OH)	Flavone	6,8-Di-C-glucopyranosylgenkwanin
0.000	[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(E)-ferulate
0.000	[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Isovitexin 2''-O-(E)-ferulate
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OMe)	3-substituted Flavone	3,6-Di-C-glucopyranosylacacetin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin

Level: 3, プリカーサーm/z: 627.32971

Splash: splash10-0a4i-0023009000-1a0883a118ad33746cba

m/z	Int.	NL	Rel.Int.
609.50	1755	18	1000
349.32	557	278	317
275.25	224	352	127
293.20	193	334	109
553.33	179	74	101
335.62	89	292	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[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)

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
14121	104.17	820.55878	0.0000	1.71	[M+IsoProp-2(H2O)+NH4]+, [M+CH5N+H]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2		0.091	8
	104.17	806.54434	-14.0144	1.46	[M+2(CH3OH)-3(H2O)+NH4]+, [M+C2H7N+H]+, [M+NH4]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3				10