ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1562 MN MID: SE204_S03_M90

m/z: 417.17295, RT: 42.23, 強度: 2341, ログ強度: -0.02, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: cis-3-Hexenyl b-primeveroside

DBごとのヒット数: ALL 1 HM 1

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
C17H30O10	394.18390	-0.422	cis-3-Hexenyl b-primeveroside	HMDB: HMDB0031690

Level: 2, プリカーサーm/z: 417.17282

Splash: splash10-0a4i-0090000000-18f06cb9a1fc0bde0708

m/z	Int.	NL	Rel.Int.
255.04	4869	162	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Munetone
[Flavone]-A(1OH, 1(C-Glu))-B(1OH)	Flavone	Bayin
[Flavone]-A(2OH, 1(C-Glu))-B(none)	Flavone	Chrysin 6-C-beta-D-glucopyranoside
[Flavone]-A(2OH, 1(C-Glu))-B(none)	Flavone	Chrysin 8-C-beta-D-glucopyranoside
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH)	Isoflavone	8-Glucosyldaidzein
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomolludistin
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH)	Flavone	Molludistin
[Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH)	Flavone	Isofurcatain
[Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Eupalestin
[Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH)	Flavonol	Calomelanol D
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin
[Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melibentin
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe)	Flavonol	Melicophyllin
[6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl))	6-Hydroxyrotenone	Dihydrostemonal 6-O-acetate
[4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none)	4-phenylcoumarin	Apetalolide

Level: 3, プリカーサーm/z: 255.03949

Splash: splash10-0ftr-0940000000-df2c2266fa9ad7f3da44

m/z	Int.	NL	Rel.Int.
237.10	8	18	1000
169.03	7	86	949
126.90	5	128	598
150.97	5	104	594

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.154	[Chalcone]-A(1OH, 1OMe)-B(none)	Chalcone	4'-Hydroxy-2'-methoxychalcone
0.154	[Flavanone]-A(1OMe)-B(none)	Flavanone	7-Methoxyflavanone
0.071	[Flavone]-A(1OH)-B(1OH)	Flavone	7,2'-Dihydroxyflavone
0.071	[Flavone]-A(1OH)-B(1OH)	Flavone	7,4'-Dihydroxyflavone
0.071	[Flavone]-A(1OH)-B(1OH)	Flavone	5,2'-Dihydroxyflavone
0.071	[Flavone]-A(1OH)-B(1OH)	Flavone	8,2'-Dihydroxyflavone
0.071	[Flavone]-A(2OH)-B(none)	Flavone	Primetin
0.071	[Flavone]-A(2OH)-B(none)	Flavone	Chrysin
0.071	[Flavone]-A(none)-B(2OH)	Flavone	2',5'-Dihydroxyflavone
0.071	[Flavone]-A(none)-B(2OH)	Flavone	3',4'-Dihydroxyflavone
0.067	[Isoflavone]-A(2OH)-B(none)	Isoflavone	5,7-Dihydroxyisoflavone
0.067	[Isoflavone]-A(1OH)-B(1OH)	Isoflavone	Daidzein
0.067	[Isoflavone]-A(1OH)-B(1OH)	Isoflavone	8,4'-Dihydroxyisoflavone
0.050	[Flavonol]-A(1OH)-B(none)	Flavonol	3,7-Dihydroxyflavone
0.000	[Aurone]-A(1OH)-B(1OH)	Aurone	Hispidol
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH)	3-DehydroxyAnthocyanidin	Apigeninidin
0.000	[Pterocarpene]-A(1OH)-B(1OH)	Pterocarpene	Anhydroglycinol
0.000	[3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none)	3-substituted 2-Phenylbenzofuran	Parvifuran
0.000	[4-phenylcoumarin]-A(2OH)-B(none)	4-phenylcoumarin	Nordalbergin
0.000	[4-phenylcoumarin]-A(2OH)-B(none)	4-phenylcoumarin	Serratin
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4-Methoxydalbergione
0.000	[Neoflavene]-A(1OH, 1OMe)-B(none)	Neoflavene	Dalbergichromene

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
	42.23	433.14680	15.9738	-0.17	[M+K]+	cis-3-Hexenyl b-primeveroside	ALL 1 HM 1			2
1562	42.23	417.17295	0.0000	-0.02	[M+Na]+	cis-3-Hexenyl b-primeveroside	ALL 1 HM 1	MS2 MS3	0.154	1
	42.22	412.21756	-4.9554	-0.12	[M+NH4]+	cis-3-Hexenyl b-primeveroside	ALL 1 HM 1	MS2 MS3		4