ピーク情報

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pos

Peak #4953 MN MID: SE61_S21_M90

m/z: 432.25933, RT: 38.90, 強度: 26423, ログ強度: 0.84, アダクト: [M+C2H7N+H]+, 共有数（同様のピークを含むサンプル数）: 12

DB検索結果: (17 names) (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside;2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside;Sonchuionoside A;(-)-Sonchuionoside A;...

DBごとのヒット数: ALL 13 KN 10 HM 2 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.040

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
C19H30O8	386.19407	0.354	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside	KNApSAcK: C00034988
C19H30O8	386.19407	0.354	2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside	LipidMAPS: LMFA02020207
C19H30O8	386.19407	0.354	Sonchuionoside C	HMDB: HMDB0035212
C19H30O8	386.19407	0.354	Citroside B	HMDB: HMDB0030370 KNApSAcK: C00029980, C00054961
C19H30O8	386.19407	0.354	Sonchuionoside A	KNApSAcK: C00043017
C19H30O8	386.19407	0.354	Junipeionoloside	KNApSAcK: C00041022
C19H30O8	386.19407	0.354	Apocynoside I	KNApSAcK: C00029703, C00031824
C19H30O8	386.19407	0.354	(6R,9S)-Roseoside	HMDB: HMDB0029772 KNApSAcK: C00029329, C00031467, C00031468, C00032855
C19H30O8	386.19407	0.354	Icariside B1	KNApSAcK: C00031388, C00031825, C00037294
C19H30O8	386.19407	0.354	Staphylionoside A	KNApSAcK: C00031385
C19H30O8	386.19407	0.354	Macarangioside D	KNApSAcK: C00030700
C19H30O8	386.19407	0.354	Icariside B2	KNApSAcK: C00030506, C00033839
C20H26O4N4	386.19541	-3.109	8-(3,4-Dimethoxyphenyl)-7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione	HMDB: HMDB0244693

MSnスペクトル情報

Level: 2, プリカーサーm/z: 432.25870

Splash: splash10-0abi-0097000000-4b935cee1ef26c2edbe5

m/z	Int.	NL	Rel.Int.
207.06	10155	225	1000
387.03	8546	45	841
224.84	5145	207	506
368.55	2399	64	236
386.30	1365	46	134
369.22	904	63	88
189.17	851	243	83
149.05	653	283	64

Level: 3, プリカーサーm/z: 207.06149

Splash: splash10-000j-0900000000-3cfda8c9ae4e7e37bec4

m/z	Int.	NL	Rel.Int.
189.09	1919	18	1000
149.00	1364	58	710
161.12	474	46	247
165.01	389	42	202
179.06	226	28	118
147.01	182	60	95
137.02	164	70	85
121.05	140	86	73
151.15	115	56	60

Level: 3, プリカーサーm/z: 387.02884

Splash: splash10-0avj-0392000000-f530b6585b9c31844133

m/z	Int.	NL	Rel.Int.
207.10	34	180	1000
224.93	24	162	702
369.12	11	18	333
377.88	10	9	304
299.31	9	88	266
119.08	9	268	255
163.40	8	224	238
148.75	7	238	200
197.02	5	190	140
245.09	4	142	117
224.17	4	163	104
367.88	3	19	90
188.57	3	198	78
121.10	2	266	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.040	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
0.036	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol V
0.036	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol W
0.036	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone D
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	2'-Hydroxychalcone	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavanone	Calomelanol J
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none)	Flavone	Fulvinervin B
0.000	[Flavone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe)	Flavone	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
0.000	[Flavone]-A(4OMe)-B(1([@@]-Methylenedioxy))	Flavone	Linderoflavone B
0.000	[Flavonol (3-OMe)]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	Topazolin hydrate
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Icaritin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melisimplexin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Meliternin
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
0.000	[Flavan 3,4-diol (4-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
0.000	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Isoflavone	Kwakhurin hydrate
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe)	Isoflavone	Irisflorentin
0.000	[Isoflavone]-A(4OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
0.000	[Isoflavanone-3-ol]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone-3-ol	Secundifloran

ピーク情報

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MSnスペクトル情報

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