ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #1951 MN MID: SE199_S21_M90

m/z: 551.15113, RT: 31.14, 強度: 9996, ログ強度: 0.60, 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: (4 names) Betanin;Gomphrenin-I;(S-(R*,R*))-4-(2-(2-Carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid;Cefclidin

DBごとのヒット数: ALL 4 KG 3 HM 1

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
C24H26O13N2	550.14349	0.664	Isobetanin	HMDB: HMDB0029408 KEGG: C08551, C08540 KNApSAcK: C00001584, C00001593
C24H26O13N2	550.14349	0.664	Gomphrenin-I	KEGG: C08544 KNApSAcK: C00001588
C24H26O13N2	550.14349	0.664	(S-(R,R))-4-(2-(2-Carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid	HMDB: HMDB0260204
C21H26O6N8S2	550.14167	3.966	Cefclidin	HMDB: HMDB0249759 KEGG: C11202

MSnスペクトル情報

Level: 2, プリカーサーm/z: 551.15094

Splash: splash10-001i-0900020000-2406a7a43857229c4afa

m/z	Int.	NL	Rel.Int.
184.06	1123	367	1000
533.22	567	18	504
166.10	321	385	285
188.00	269	363	239
205.94	107	345	95
332.06	86	219	76
162.08	84	389	75

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(2OH)	Flavone	6,8-Di-C-Arabinosylluteolin
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol

Level: 3, プリカーサーm/z: 184.01929

Splash: splash10-014i-0900000000-e3484d37c35e7cdfe5cc

m/z	Int.	NL	Rel.Int.
166.02	828	18	1000

Level: 3, プリカーサーm/z: 533.25720

Splash: splash10-001i-0910010000-c3ec532801495cc3b76e

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Isogemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Gemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyrottlerin
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2'',6''-O-diacetate
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe)	Flavone	6''-O-Acetylisoorientin 7,3',4'-trimethyl ether
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2'',6''-O-diacetate
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-(2'''-methylbutyrate)

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
184.09	116	349	1000
514.97	30	18	258
166.14	29	367	247
188.00	28	345	245
205.95	21	327	183
353.31	9	180	74
328.36	6	205	54