ピーク情報

シロイヌナズナ　地上部

pos

Peak #1710 MN MID: SE200_S1_M90

m/z: 542.18653, RT: 25.00, 強度: 14050, ログ強度: 0.52, アダクト: [M+2(C2H7N)+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (2 names) Glucoalyssin;3-Hydroxy-5-(methylthio)pentyl glucosinolate

DBごとのヒット数: ALL 2 KG 1 KN 1

FlavonoidSearch最大スコア MS2: -, 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
C13H25O10NS3	451.06406	-1.112	Glucoalyssin	HMDB: [-1]HMDB0301914, [-1]HMDB0304218 KEGG: C08400 KNApSAcK: C00007345
C13H25O10NS3	451.06406	-1.112	3-Hydroxy-5-(methylthio)pentyl glucosinolate	KNApSAcK: C00007814

Level: 2, プリカーサーm/z: 542.18652

Splash: splash10-0002-0000900000-c853e4b3d101749509be

m/z	Int.	NL	Rel.Int.
496.84	10861	45	1000
416.87	2755	125	253

Level: 3, プリカーサーm/z: 496.93005

Splash: splash10-01b9-0005900000-40564a5f14050434587a

m/z	Int.	NL	Rel.Int.
416.94	127	80	1000
371.83	71	125	556
451.52	18	45	143
334.11	10	163	81
210.20	7	287	52

Level: 3, プリカーサーm/z: 416.96277

Splash: splash10-00di-0009000000-38e8e9808c038182eef3

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