ピーク情報

＜コーヒー・ココア類＞コーヒー浸出液

pos

Peak #1249 MN MID: SE118_S160451_M90

m/z: 293.06330, RT: 11.82, 強度: 18982, ログ強度: 0.80, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 30

DB検索結果: (2 names) Phenylglucuronide;D-Lombricine

DBごとのヒット数: ALL 2 KG 1 HM 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
C12H14O7	270.07395	0.451	Phenylglucuronide	HMDB: HMDB0059806, HMDB0060014
C6H15O6N4P	270.07292	4.267	Lombricine	KEGG: C14177, C01726

Level: 2, プリカーサーm/z: 293.06326

Splash: splash10-0002-0900000000-06d3d8fdd030a41c255a

m/z	Int.	NL	Rel.Int.
195.03	36000	98	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Methoxyfurano[2'',3'':6,7]aurone
[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-(alpha-oxobenzyl)benzofuran	Derriobtusone A
[alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none)	alpha-substituted Chalcone	Purpuritenin B
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl)	Chalcone	Purpuritenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Pongone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Cauliflorin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Glabone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Kanjone
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Pinnatin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Karanjin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Ponganone XI

Level: 3, プリカーサーm/z: 194.93735

Splash: splash10-0a6r-0900000000-b8c799f639bda96ee07f

m/z	Int.	NL	Rel.Int.
158.92	227	36	1000
177.00	223	18	984
108.97	70	86	309
140.94	32	54	141

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
1249	11.82	293.06330	0.0000	0.80	[M+Na]+	(2 names) Phenylglucuronide; D-Lombricine	ALL 2 KG 1 HM 1	MS2 MS3			30
	12.05	288.10785	-4.9554	0.45	[M+NH4]+	(2 names) Phenylglucuronide; D-Lombricine	ALL 2 KG 1 HM 1	MS2 MS3 x 2			6