ピーク情報

シロイヌナズナ　地上部

pos

Peak #14298 MN MID: SE200_S1_M90

m/z: 852.58437, RT: 104.81, 強度: 2254640, ログ強度: 2.73, アダクト: [M+CH3OH+IsoProp-2(H2O)+NH4]+, 共有数（同様のピークを含むサンプル数）: 3

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	1.560	Sapinmusaponin H	KNApSAcK: C00041834
C43H70O12	778.48673	1.560	Nephelioside III	KNApSAcK: C00043766
C43H70O12	778.48673	1.560	Sapinmusaponin F	KNApSAcK: C00041832, C00041833

Level: 2, プリカーサーm/z: 852.58362

Splash: splash10-0a4i-0001009000-a82f980f3e60d914e677

m/z	Int.	NL	Rel.Int.
609.49	209158	243	1000
627.47	80542	225	385
641.50	65604	211	313
335.30	33443	517	159
610.57	27712	242	132
381.28	24326	471	116
349.32	12131	503	57
628.55	10621	224	50

Level: 3, プリカーサーm/z: 609.44983

Splash: splash10-004i-0090030000-ae03d65527794137ea0c

m/z	Int.	NL	Rel.Int.
275.25	36214	334	1000
553.54	9693	56	267
535.52	6163	74	170
293.20	5104	316	140
257.26	4952	352	136
517.54	3276	92	90
239.23	2611	370	72
229.26	2544	380	70
247.19	2257	362	62
591.46	2205	18	60

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 2(C-Glu))-B(1OH)	Flavone	6,8-Di-C-glucopyranosylgenkwanin
[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(E)-ferulate
[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Isovitexin 2''-O-(E)-ferulate
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OMe)	3-substituted Flavone	3,6-Di-C-glucopyranosylacacetin
[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: 627.44043

Splash: splash10-0a4i-0000049000-a04cdfd5fad5d89128ea

m/z	Int.	NL	Rel.Int.
609.49	17797	18	1000
553.46	5224	74	293
535.55	2640	92	148
517.51	1355	110	76
275.22	1266	352	71
499.55	897	128	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	FS3	共有数
14298	104.81	852.58437	0.0000	2.73	[M+CH3OH+IsoProp-2(H2O)+NH4]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2	0.091	3
	104.81	843.52419	-9.0602	2.41	[M+IsoProp-H2O+Na]+, [M+CH3OH+Na]+, [M+Na]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3 x 2		3
	104.81	838.57078	-14.0136	2.56	[M+IsoProp-H2O+NH4]+, [M+C2H7N+CH3OH+H]+, [M+3(CH3OH)-3(H2O)+NH4]+, [M+NH4]+	(5 names) Nephelioside III; Sapinmusaponin H; (-)-Sapinmusaponin H; Sapinmusaponin F; (-)-Sapinmusaponin F	ALL 3 KN 3	MS2 MS3		3
	104.58	820.56041	-32.0240	1.97	[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	0.143	8