ピーク情報

しそ葉生

pos

Peak #1564 MN MID: SE113_S060951_M90

m/z: 421.13351, RT: 27.57, 強度: 161707, ログ強度: 1.64, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 18

DB検索結果: (4 names) Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside;6'-O-.beta.-D-Apiofuranosyldianthoside;Sesamoside;Secogalioside

DBごとのヒット数: ALL 3 KG 1 KN 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.333

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
C17H24O12	420.12678	-1.281	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside	KNApSAcK: C00030711
C17H24O12	420.12678	-1.281	Sesamoside	KNApSAcK: C00010685
C17H24O12	420.12678	-1.281	Secogalioside	KEGG: C11674 KNApSAcK: C00010791

MSnスペクトル情報

Level: 2, プリカーサーm/z: 421.13315

Splash: splash10-000i-0290000000-52de1bcb727b3d5d56f2

m/z	Int.	NL	Rel.Int.
289.07	15354	132	1000
127.00	3651	294	237

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	7-O-Methylisolupalbigenin
[Flavanone]-A(2OH)-B(2([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenol O
[Flavonol]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavonol	3-Demethyldigicitrin
[Flavanone]-A(1OH, 2(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	Ovaliflavanone D
[Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-methylbutadienyl))	Flavanone	Burttinonedehydrate
[Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-acetoxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none)	Flavone	Glabratephrin
[Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none)	Flavone	5-O-Methylhoslundin
[Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-2-yl))-B(none)	Flavone	Oppositin
[Flavone]-A(1OMe, 1([2,3:@@]-(4-(2-Acetoxy-2-methylpropylidene)-5-oxofurano)))-B(none)	Flavone	Tephrorianin
[Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	Yinyanghuo A
[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusin
[Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavone	Brosimone G
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	3-substituted Flavone	Kuwanon B
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	3-substituted Flavone	Kuwanon A
[Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavone	Australone A
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Brosimone I
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomulberrin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomulberrin
[Flavonol]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Macaflavone I
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe)	Flavonol	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe)	Flavonol	5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone
[Flavan 3-ol]-A(1OMe, 1([7,8:@@]-(5,6-Dihydro-2-hydroxynaphthaleno)))-B(1OH, 1OMe)	Flavan 3-ol	Shanciol
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone C
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin D
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Isoflavone	Euchrenone b8
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Isoflavone	Euchrenone b9
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Pomiferin
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Auriculasin
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Gancaonin H
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Angustone B
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Isoflavone	Angustone C
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Auriculatin
[Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([@@]-Methylenedioxy))	Isoflavan	Nitidulan
[Pterocarpan]-A(1OH, 1Geranyl)-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducol
[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Pterocarpan	Gangetin
[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Coumaranochromon	Lupinalbin F
[alpha-Phenylcoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	alpha-Phenylcoumarinic acid	Calophyllic acid

Level: 3, プリカーサーm/z: 289.05435

Splash: splash10-004i-0900000000-ed3138e4e44782d3bd73

m/z	Int.	NL	Rel.Int.
126.92	4898	162	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.333	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.000	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.000	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.000	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.000	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.000	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.000	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan

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	FS3	共有数
	27.57	459.08965	37.9561	0.34	[M+K]+	(4 names) Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside; 6'-O-.beta.-D-Apiofuranosyldianthoside; Sesamoside; Secogalioside	ALL 3 KG 1 KN 2			2
	27.58	443.11573	21.9822	-0.11	[M+Na]+	(4 names) Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside; 6'-O-.beta.-D-Apiofuranosyldianthoside; Sesamoside; Secogalioside	ALL 3 KG 1 KN 2	MS2 MS3		2
1564	27.57	421.13351	0.0000	1.64	[M+H]+	(4 names) Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside; 6'-O-.beta.-D-Apiofuranosyldianthoside; Sesamoside; Secogalioside	ALL 3 KG 1 KN 2	MS2 MS3	0.333	18

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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