ピーク情報

だいず［豆腐・油揚げ類］木綿豆腐

pos

Peak #2936 MN MID: SE112_S040321_M90

m/z: 433.13367, RT: 35.85, 強度: 220743, ログ強度: 2.06, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 31

DB検索結果: (7 names) 5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide;Griselinoside;Licoagroside B;6-O-Acetylscandoside;Asperulosidic acid;Apiosylglucosyl 4-hydroxybenzo...

DBごとのヒット数: ALL 7 KN 5 HM 2

FlavonoidSearch最大スコア MS2: 0.083, MS3: 0.053

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
C20H21O4N4SF	432.12675	-0.842	5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide	HMDB: HMDB0257960
C18H24O12	432.12678	-0.893	Tachiogroside B	HMDB: HMDB0036523 KNApSAcK: C00019031
C18H24O12	432.12678	-0.893	Griselinoside	KNApSAcK: C00010550
C18H24O12	432.12678	-0.893	6-O-Acetylscandoside	KNApSAcK: C00032672, C00036635
C18H24O12	432.12678	-0.893	Asperulosidic acid	HMDB: HMDB0248668 KNApSAcK: C00029749
C18H24O12	432.12678	-0.893	Apiosylglucosyl 4-hydroxybenzoate	HMDB: HMDB0035318
C18H24O12	432.12678	-0.893	Linderofruticoside B	KNApSAcK: C00030675

MSnスペクトル情報

Level: 2, プリカーサーm/z: 433.13351

Splash: splash10-004i-0922000000-f010bfeaa1c234ef8d1f

m/z	Int.	NL	Rel.Int.
126.91	13314	306	1000
306.98	3561	126	267
289.09	2670	144	200
270.90	1813	162	136
162.87	1455	270	109
144.90	1026	288	77
415.23	883	18	66

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Neovitexin
0.083	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Vitexin
0.083	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Isovitexin
0.083	[Flavonol]-A(1OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-Glucosylresokaempferol
0.083	[Isoflavone]-A(1OH, 1(C-Glu))-B(2OH)	Isoflavone	8-Glucosyl 3'-hydroxydaidzein
0.083	[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH)	Isoflavone	Genistein 8-C-glucoside
0.000	[Flavone]-A(3OMe)-B(4OMe)	Flavone	Agehoustin B
0.000	[Flavone]-A(4OMe)-B(3OMe)	Flavone	5,6,7,8,3',4',5'-Heptamethoxyflavone
0.000	[Flavone]-A(4OMe)-B(3OMe)	Flavone	Agecorynin C
0.000	[Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe)	Chalcone	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe)	Flavanone	Calomelanol G
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH)	Flavone	8-C-beta-D-Galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-beta-D-Galactosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH)	Flavone	6-C-Chinovopyranosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH)	Flavone	6-C-Fucopyranosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH)	Flavone	8-C-Rhamnopyranosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artocommunol CA
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	3,5,6,7,3',4',5'-Heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	Benthamitin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	Hibiscetin heptamethyl ether
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(2OMe)	Flavonol	3,5,6,7,8,3',4'-Heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone

Level: 3, プリカーサーm/z: 306.98398

Splash: splash10-000i-0980000000-96b63f81556be48efb55

m/z	Int.	NL	Rel.Int.
288.91	126	18	1000
187.26	74	120	586
126.87	59	180	467
144.82	47	162	374
271.02	40	36	317
108.83	23	198	185
252.90	23	54	185

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.053	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.053	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

Level: 3, プリカーサーm/z: 126.91051

Splash: splash10-0002-9200000000-a58c634ad2a6e9796b6d

m/z	Int.	NL	Rel.Int.
98.99	103	28	1000
127.15	25	-0	243

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
	35.86	478.19210	45.0584	0.41	[M+C2H7N+H]+	(7 names) Griselinoside; Licoagroside B; 6-O-Acetylscandoside; Asperulosidic acid; Apiosylglucosyl 4-hydroxybenzoate; Linderofruticoside B; 5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-nap...	ALL 7 KN 5 HM 2				13
2936	35.85	433.13367	0.0000	2.06	[M+H]+	(7 names) 5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide; Griselinoside; Licoagroside B; 6-O-Acetylscandoside; Asperulosidic acid; Apiosylglucosyl 4-hydroxybenzo...	ALL 7 KN 5 HM 2	MS2 MS3 x 2	0.083	0.053	31

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MSnスペクトル情報

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