ピーク情報

かぼちゃいり味付け

pos

Peak #1465 MN MID: SE118_S050061_M90

m/z: 415.18040, RT: 19.54, 強度: 55224, ログ強度: 1.38, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 23

DB検索結果: Hymatoxin A

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: 0.053, 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
C20H30O7S	414.17122	4.581	Hymatoxin A	KEGG: [-1]C09109 KNApSAcK: C00003436

Level: 2, プリカーサーm/z: 415.17947

Splash: splash10-0udi-0091000000-65c918571a118bad2557

m/z	Int.	NL	Rel.Int.
253.15	918	162	1000
325.11	114	90	123
252.54	89	163	97
162.80	77	252	84
397.47	53	18	57

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.053	[Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone C
0.000	[Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe)	Flavanone	Laxiflorin
0.000	[Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Kanzonol S
0.000	[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH)	Flavone	3'-Deoxyderhamnosylmaysin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH)	Flavone	Pinnatifinoside A
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Aciculatin
0.000	[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin
0.000	[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Prodelphinidin B6
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe)	12a-Hydroxyrotenone	Volubinol

Level: 3, プリカーサーm/z: 253.14981

Splash: splash10-03dj-0900000000-d141280fd8e2eb58b3ab

m/z	Int.	NL	Rel.Int.
163.01	35	90	1000
145.07	21	108	586
127.00	9	126	251
199.15	7	54	191
169.04	5	84	133
131.10	4	122	117
217.15	4	36	99
73.08	3	180	81

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OMe)-B(none)	Flavone	7-Methoxyflavone
[Flavone]-A(1OMe)-B(none)	Flavone	6-Methoxyflavone
[2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none)	2-substituted Isoflavone	7-Hydroxy-2-methylisoflavone

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	共有数
	19.55	453.13646	37.9561	-0.01	[M+K]+	Hymatoxin A	ALL 1 KG 1			8
	19.55	437.16251	21.9821	0.61	[M+Na]+	Hymatoxin A	ALL 1 KG 1	MS2 MS3 x 2		5
	19.56	432.20705	17.0267	0.67	[M+NH4]+	Hymatoxin A	ALL 1 KG 1			9
1465	19.54	415.18040	0.0000	1.38	[M+H]+	Hymatoxin A	ALL 1 KG 1	MS2 MS3	0.053	23