ピーク情報

しゅんぎく葉生

pos

Peak #2331 MN MID: SE114_S060991_M90

m/z: 436.21738, RT: 35.96, 強度: 5352, ログ強度: 0.38, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 20

DB検索結果: (3 names) 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside;Ascleposide B;(-)-Ascleposide B

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.125

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
C19H30O10	418.18390	-0.827	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside	HMDB: HMDB0040353
C19H30O10	418.18390	-0.827	Ascleposide B	KNApSAcK: C00032738

MSnスペクトル情報

Level: 2, プリカーサーm/z: 436.21677

Splash: splash10-0aor-0091400000-fbfc363e1b73e74566ec

m/z	Int.	NL	Rel.Int.
257.05	733	179	1000
418.13	233	18	318
418.97	138	17	188
390.86	108	45	147

Level: 3, プリカーサーm/z: 257.05093

Splash: splash10-001r-0930000000-250d265e2b39c9fd77f9

m/z	Int.	NL	Rel.Int.
182.92	88	74	1000
238.97	30	18	343
164.97	29	92	322
136.83	20	120	221
133.17	17	124	197
202.95	11	54	119
189.06	10	68	116
224.99	9	32	103
221.22	6	36	68

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.182	[Dihydroflavonol]-A(1OH)-B(none)	Dihydroflavonol	3,7-dihydroxyflavanone
0.125	[Isoflavanone]-A(1OH)-B(1OH)	Isoflavanone	Dihydrodaidzein
0.105	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin
0.105	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',5'-Trihydroxychalcone
0.105	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',3'-Trihydroxychalcone
0.100	[Flavanone]-A(1OH)-B(1OH)	Flavanone	Liquiritigenin
0.091	[Dihydrochalcone]-A(none)-B(1OH, 1OMe)	Dihydrochalcone	2-Methoxy-4-hydroxydihydrochalcone
0.059	[2'-Hydroxychalcone]-A(3OH)-B(none)	2'-Hydroxychalcone	2',4',6'-Trihydroxychalcone
0.056	[Flavanone]-A(2OH)-B(none)	Flavanone	Pinocembrin
0.050	[2'-Hydroxychalcone]-A(1OH)-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxychalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Hydroxy-4'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Methoxy-4'-hydroxydihydrochalcone
0.000	[Pterocarpan]-A(1OH)-B(1OH)	Pterocarpan	Demethylmedicarpin
0.000	[Aurone]-A(none)-B(1Cl)	Aurone	4'-Chloroaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Lucidone
0.000	[Flavan]-A(1OH)-B(1OMe)	Flavan	Broussin
0.000	[Flavan]-A(1OMe)-B(1OH)	Flavan	4'-Hydroxy-7-methoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH)	Flavan	7,4'-Dihydroxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(none)	Flavan	7-Hydroxy-5-methoxyflavan
0.000	[isoflavene]-A(1OH)-B(2OH)	isoflavene	Haginin D
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	6-Demethylvignafuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	Centrolobofuran
0.000	[Dalbergiquinol]-A(2OH, 1OMe)-B(none)	Dalbergiquinol	Obtusaquinol

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
2331	35.96	436.21738	0.0000	0.38	[M+NH4]+	(3 names) 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside; Ascleposide B; (-)-Ascleposide B	ALL 2 KN 1 HM 1	MS2 MS3		0.125	20
	35.95	419.19084	-17.0265	-0.00	[M+H]+, [M+IsoProp+H]+	(3 names) 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside; Ascleposide B; (-)-Ascleposide B	ALL 2 KN 1 HM 1				27

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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