ピーク情報

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pos

Peak #6956 MN MID: SE205_S02_M90

m/z: 625.28774, RT: 56.84, 強度: 8117, ログ強度: 0.39, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (13 names) N-[2-(Dimethylamino)ethyl]-N-methyl-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide;Ligurobustoside F;(-)-Ligurobustoside F;Ligurobus...

DBごとのヒット数: ALL 8 KN 7 HM 1

FlavonoidSearch最大スコア MS2: 0.154, 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
C31H35O3N8F3	624.27842	3.275	N-[2-(Dimethylamino)ethyl]-N-methyl-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide	HMDB: HMDB0260359
C31H44O13	624.27819	3.644	Ligurobustoside F	KNApSAcK: C00044219
C31H44O13	624.27819	3.644	Ligurobustoside B	KNApSAcK: C00044215
C31H44O13	624.27819	3.644	Ligurobustoside I	KNApSAcK: C00044220
C37H40O7N2	624.28355	-4.942	(-)-Limacine, 2-beta-N-oxide	KNApSAcK: C00025615
C37H40O7N2	624.28355	-4.942	Limacusine 2'-beta-N-oxide	KNApSAcK: C00025928
C37H40O7N2	624.28355	-4.942	Thalisopidine	KNApSAcK: C00029112
C37H40O7N2	624.28355	-4.942	Fenfangjine B	KNApSAcK: C00025321, C00025614, C00025874, C00027360

MSnスペクトル情報

Level: 2, プリカーサーm/z: 625.28729

Splash: splash10-0a4i-0000129000-27f1366e5cd2936e7fdc

m/z	Int.	NL	Rel.Int.
607.26	2018	18	1000
412.30	271	213	134
577.32	230	48	113
559.43	168	66	83
581.53	153	44	75
589.28	152	36	75
608.36	130	17	64
470.29	102	155	50
413.28	101	212	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe)	Flavone	Stellarin 2
0.250	[Flavone]-A(2OH, 2(C-Glu))-B(1OH, 1OMe)	Flavone	6,8-Di-C-glucopyranosyldiosmetin
0.000	[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-ferulate
0.000	[Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH)	Flavone	2''-O-Feruloylorientin
0.000	[Flavone]-A(2OH, 1(1(O-Feruloyl)-C-Glu))-B(2OH)	Flavone	Orientin 6''-O-ferulate
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	3-substituted Flavone	3,8-Di-C-glucopyranosyldiosmetin
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6-C-Glucopyranosyl-8-C-arabinopyranosyltricin
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6-C-Arabinopyranosyl-8-C-glucopyranosyltricin

Level: 3, プリカーサーm/z: 607.24292

Splash: splash10-00di-0000980000-cc6502c83e6012672993

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
470.34	528	137	1000
577.34	239	30	453
589.33	150	18	283
559.43	116	48	219
444.40	95	163	180
571.31	74	36	140
396.37	31	211	59
563.41	27	44	51