ピーク情報

（にんじん類）にんじん根皮つき生

pos

Peak #2960 MN MID: SE118_S062121_M90

m/z: 441.17354, RT: 46.07, 強度: 1814, ログ強度: -0.05, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 5

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: 0.154, 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
C19H30O10	418.18390	1.012	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside	HMDB: HMDB0040353
C19H30O10	418.18390	1.012	Ascleposide B	KNApSAcK: C00032738

MSnスペクトル情報

Level: 2, プリカーサーm/z: 441.17300

Splash: splash10-0002-0009000000-53721690982bd6dc9ae3

m/z	Int.	NL	Rel.Int.
397.36	3041	44	1000
289.08	203	152	66
423.22	195	18	64

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.154	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH)	Dihydroflavonol	Kushenol L
0.133	[Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH)	Flavanone	Kenusanone B
0.000	[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Dihydrochalcone	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	Dihydrochalcone	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl))	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
0.000	[Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH)	Flavanone	Lonchocarpol E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	2'',3''-Dihydroxylupinifolin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	Flavanone	Dorsmanin H
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin G
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone V
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone VI
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone E
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone G
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH)	Dihydroflavonol	Diplacol
0.000	[Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol X
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene)))	Flavan 3-ol	Amurensisin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerythynone

関連ピーク情報

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
2960	46.07	441.17354	0.0000	-0.05	[M+Na]+	(3 names) 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside; Ascleposide B; (-)-Ascleposide B	ALL 2 KN 1 HM 1	MS2	0.154		5
	46.06	436.21771	-4.9558	0.57	[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				33
	46.05	419.19112	-21.9824	0.54	[M+H]+	(3 names) 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside; Ascleposide B; (-)-Ascleposide B	ALL 2 KN 1 HM 1				24
	46.05	401.18055	-39.9930	0.13	[M-H2O+H]+	(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	0.059	0.015	30
	46.04	383.17010	-58.0034	-0.00	[M-2(H2O)+H]+	(3 names) 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside; Ascleposide B; (-)-Ascleposide B	ALL 2 KN 1 HM 1	MS2	0.071		10