ピーク情報

イネ　玄米　コシヒカリ

pos

Peak #4157 MN MID: SE199_S11_M90

m/z: 579.18581, RT: 70.91, 強度: 6520, 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）: 4

DB検索結果: (4 names) Kadsulignan E;Heteroclitin J;(-)-Heteroclitin J;Kadsulignan C

DBごとのヒット数: ALL 3 KN 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.048

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
C31H30O11	578.17881	-0.485	Kadsulignan E	KNApSAcK: C00051106
C31H30O11	578.17881	-0.485	Heteroclitin J	KNApSAcK: C00033915
C31H30O11	578.17881	-0.485	Kadsulignan C	KNApSAcK: C00051104

Level: 2, プリカーサーm/z: 579.18604

Splash: splash10-014i-0000900000-5c7802c1c64668be3b21

m/z	Int.	NL	Rel.Int.
415.19	884	164	1000
561.28	58	18	65

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(1(O-p-Coumaroyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-p-coumarate
[Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Arabinosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH)	Flavone	Violanthin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH)	Flavone	Isoviolanthin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Chinovosyl))-B(1OH)	Flavone	Violarvensin
[Flavone]-A(2OH, 2(C-Rhamnosyl))-B(2OH)	Flavone	6,8-Di-C-rhamnopyranosylluteolin

Level: 3, プリカーサーm/z: 415.23566

Splash: splash10-001i-0049000000-c8cadd0d6b48132c41f3

m/z	Int.	NL	Rel.Int.
383.20	268	32	1000
205.10	78	210	290
232.90	49	182	184
397.21	32	18	119
209.16	14	206	52
207.04	14	208	51
387.09	13	28	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.048	[Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone C
0.037	[Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe)	Flavanone	Laxiflorin
0.000	[Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Kanzonol S
0.000	[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH)	Flavone	3'-Deoxyderhamnosylmaysin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH)	Flavone	Pinnatifinoside A
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Aciculatin
0.000	[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin
0.000	[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Prodelphinidin B6
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe)	12a-Hydroxyrotenone	Volubinol

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
	70.88	601.16788	21.9821	-0.18	[M+Na]+	(4 names) Kadsulignan E; Heteroclitin J; (-)-Heteroclitin J; Kadsulignan C	ALL 3 KN 3				1
4157	70.91	579.18581	0.0000	0.39	[M+H]+	(4 names) Kadsulignan E; Heteroclitin J; (-)-Heteroclitin J; Kadsulignan C	ALL 3 KN 3	MS2 MS3		0.048	4