ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #8960 MN MID: SE205_S08_M90

m/z: 601.42551, RT: 93.70, 強度: 8518, ログ強度: 0.33, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (2 names) buddlenol D;2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol

DBごとのヒット数: ALL 2 HM 2

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
C38H58O4	578.43351	4.798	buddlenol D	HMDB: HMDB0301729, HMDB0304585
C38H58O4	578.43351	4.798	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	HMDB: HMDB0012146

Level: 2, プリカーサーm/z: 601.42419

Splash: splash10-001i-0021090000-6ae26b4d80f257b05e61

m/z	Int.	NL	Rel.Int.
583.33	700	18	1000
582.38	204	19	291
221.14	138	380	197
509.49	96	92	137
565.36	85	36	121
508.46	66	93	94
377.36	57	224	81
491.54	56	110	80
211.18	50	390	71
225.09	50	376	71
333.27	49	268	70
526.60	46	75	66
451.36	43	150	61
207.00	41	394	58
541.39	40	60	57
507.60	40	94	57
323.23	38	278	54
222.26	36	379	51
272.33	36	329	51
393.23	35	208	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-gallate
0.000	[Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-gallate

Level: 3, プリカーサーm/z: 583.33209

Splash: splash10-016u-0061590000-10c4493931bfbd85680d

m/z	Int.	NL	Rel.Int.
565.47	67	18	1000
525.37	26	58	388
443.32	25	140	370
483.41	18	100	267
289.15	14	294	213
526.64	14	57	209
291.24	13	292	195
241.23	13	342	190
259.19	12	324	178
477.17	12	106	170
257.24	12	326	170
375.07	12	208	170
451.57	11	132	158
499.49	10	84	149
537.40	10	46	146
224.89	10	358	145
235.12	10	348	144
283.38	9	300	137
394.32	9	189	129
564.56	8	19	124

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin B
[Flavanone]-A(1OH, 1OMe, 1(5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	Flavanone	Calyxin C
[Flavanone]-A(1OH, 1OMe, 1(2-(4-Hydroxyphenyl)-6-(2-(4-hydroxyphenyl)ethyl)-tetrahydropyran-4-yl))-B(1OH)	Flavanone	Calyxin G
[Flavanone]-A(1OMe, 1([2,3:@@]-(4-(2-Hydroxy-4-(4-hydroxyphenyl)-butyl)-6-(4-hydroxyphenyl)-4,5-dihydropyrano)))-B(1OH)	Flavanone	Calyxin M
[Flavone]-A(2OH, 1(1(O-Vanilloyl)-C-Glu))-B(1OH)	Flavone	2''-O-Vanilloylvitexin
[Flavone]-A(2OH, 1(1(O-p-Methoxybenzoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-p-methoxybenzoate
[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(3OH)-C(1(O-Galloyl))	4-substituted Flavan 3-ol	4-(2,4,6-Trihydroxyphenyl)gallocatechin 3-O-galloate

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	FS3	共有数
8960	93.70	601.42551	0.0000	0.33	[M+Na]+	(2 names) buddlenol D; 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	ALL 2 HM 2	MS2 MS3			3
	93.68	583.41487	-18.0106	0.49	[M-H2O+Na]+	(2 names) buddlenol D; 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	ALL 2 HM 2	MS2 MS3			6