ピーク情報

細ネギ（若香）地下部

pos

Peak #5071 MN MID: SE201_S21_M90

m/z: 611.37939, RT: 50.75, 強度: 132781, ログ強度: 1.54, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (8 names) 3-O-(beta-D-glucopyranosyl)-2beta,3beta,14alpha,22R-tetrahydroxy-5beta-cholest-7-ene-6-one;Agamenoside J;(-)-Agamenoside J;Agamenoside I:(-)-Agamenoside I;(25S)-3-O-(beta-D-xylopyranosyl)-cholest-4,24...

DBごとのヒット数: ALL 7 KN 4 LM 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.154

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
C33H54O10	610.37170	0.688	3-O-(beta-D-glucopyranosyl)-2beta,3beta,14alpha,22R-tetrahydroxy-5beta-cholest-7-ene-6-one	LipidMAPS: LMST01010435
C33H54O10	610.37170	0.688	Agamenoside J	KNApSAcK: C00031570
C33H54O10	610.37170	0.688	Agamenoside I:(-)-Agamenoside I	KNApSAcK: C00031569
C33H54O10	610.37170	0.688	(25S)-3-O-(beta-D-xylopyranosyl)-cholest-4,24(28)-diene-3beta,6beta,8,15alpha,16beta,26-hexaol	LipidMAPS: LMST05050041
C33H54O10	610.37170	0.688	Blechnoside B	KNApSAcK: C00048336 LipidMAPS: LMST01010536
C33H54O10	610.37170	0.688	3-O-(beta-D-glucopyranosyl)-3beta,14alpha,22R,25-tetrahydroxy-2-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010535
C33H54O10	610.37170	0.688	6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha,23S-triol	LipidMAPS: LMST01080070
C33H54O10	610.37170	0.688	Isochainin	KNApSAcK: C00017672

MSnスペクトル情報

Level: 2, プリカーサーm/z: 611.37878

Splash: splash10-0002-0031900000-defd302e868f99b07c4a

m/z	Int.	NL	Rel.Int.
449.30	77154	162	1000
269.22	16924	342	219
287.16	13992	324	181
305.22	12377	306	160
413.30	5279	198	68
431.37	4286	180	55
251.20	4024	360	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(2OH)	Flavone	Lucenin 2
[Isoflavone]-A(2OH, 2(C-Glu))-B(2OH)	Isoflavone	Orobol 6,8-di-C-glucoside
[Flavone]-A(2OH, 1(1(O-(E)-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-caffeate
[Flavone]-A(2OH, 1((O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-caffeate

Level: 3, プリカーサーm/z: 449.28241

Splash: splash10-0670-0092000000-67cff652fd599d9044f0

m/z	Int.	NL	Rel.Int.
269.20	27325	180	1000
287.17	20804	162	761
305.23	16182	144	592
251.28	4397	198	160

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.154	[Chalcone]-A(4OMe)-B(4OMe)	Chalcone	2,3,4,5,2',3',4',6'-Octamethoxychalcone
0.000	[Flavone]-A(4OMe)-B(1OH, 3OMe)	Flavone	Agehoustin C
0.000	[Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH)	Anthocyanidin	8-C-Glucosylcyanidin
0.000	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
0.000	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
0.000	[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
0.000	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
0.000	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
0.000	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
0.000	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	6-C-Galactosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	8-C-Galactosylluteolin
0.000	[Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Galactosylisoscutellarein
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartomunin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artomunoxanthone
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonol E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartomunoxanthone
0.000	[UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone	Artonin P
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Lonchocarpenin

Level: 3, プリカーサーm/z: 269.12952

Splash: splash10-0udi-0190000000-c3ab4d0b75a0ce132264

m/z	Int.	NL	Rel.Int.
251.27	6342	18	1000
211.12	566	58	89
241.25	446	28	70
173.23	377	96	59
159.17	367	110	57
147.02	347	122	54
225.16	334	44	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
0.143	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
0.143	[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
0.143	[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
0.100	[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
0.000	[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
0.000	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
0.000	[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
0.000	[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
0.000	[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
0.000	[Aurone]-A(1OH, 1Methyl)-B(1OH)	Aurone	6,4'-Dihydroxy-7-methylaurone
0.000	[Flavanone]-A(1OH, 2Methyl)-B(none)	Flavanone	7-Hydroxy-6,8-di-C-methylflavanone
0.000	[Flavone]-A(2OH, 1Methyl)-B(none)	Flavone	Strobochrysin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Dalbergin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Isodalbergin