ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #6325 MN MID: SE205_S08_M90

m/z: 588.20810, RT: 56.43, 強度: 138648, ログ強度: 1.54, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (3 names) Apiumoside;Amaropanin;Lissoclinotoxin E

DBごとのヒット数: ALL 3 KN 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.048

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
C29H30O12	570.17373	0.967	Apiumoside	HMDB: HMDB0039040 KNApSAcK: C00055247
C29H30O12	570.17373	0.967	Amaropanin	KNApSAcK: C00010795
C26H38O4N2S4	570.17144	4.974	Lissoclinotoxin E	KNApSAcK: C00039633

Level: 2, プリカーサーm/z: 588.20752

Splash: splash10-0w90-0093620000-86f496143442ad16ef39

m/z	Int.	NL	Rel.Int.
253.03	4829	335	1000
414.90	3422	173	708
570.53	1588	18	328
397.12	896	191	185
320.92	888	267	183
308.98	467	279	96
414.17	457	174	94
270.73	262	317	54

Level: 3, プリカーサーm/z: 253.02527

Splash: splash10-052r-0790000000-eada603f2076336e6fb3

m/z	Int.	NL	Rel.Int.
235.05	2456	18	1000
159.01	1855	94	755
106.96	294	146	119
225.05	201	28	82
120.84	124	132	50

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

Level: 3, プリカーサーm/z: 414.90302

Splash: splash10-0udi-0293000000-fc75f3cc51fbe37f3336

m/z	Int.	NL	Rel.Int.
253.10	448	162	1000
321.16	71	94	157
397.07	63	18	139
120.95	39	294	88
176.96	35	238	77
159.06	28	256	63
309.27	23	106	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.048	[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

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
	56.45	616.23997	28.0319	-0.05	[M+C2H7N+H]+	(2 names) Apiumoside; Amaropanin	ALL 2 KN 2			1
6325	56.43	588.20810	0.0000	1.54	[M+NH4]+	(3 names) Apiumoside; Amaropanin; Lissoclinotoxin E	ALL 3 KN 3	MS2 MS3 x 2	0.048	1
	56.43	571.18133	-17.0268	1.83	[M+H]+	(3 names) Apiumoside; Amaropanin; Lissoclinotoxin E	ALL 3 KN 3			3
	56.41	553.17093	-35.0372	0.47	[M-H2O+H]+	(2 names) Apiumoside; Amaropanin	ALL 2 KN 2			1