ピーク情報

イチョウ　葉

pos

Peak #2052 MN MID: SE205_S01_M90

m/z: 627.29888, RT: 30.62, 強度: 8392, ログ強度: 0.38, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (3 names) 2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;Tricalysioside D;(-)-Tricalysioside D

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: 0.182, MS3: 0.100

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
C27H42O11N6	626.29116	0.709	2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid	HMDB: HMDB0250558
C31H46O13	626.29384	-3.578	Tricalysioside D	KNApSAcK: C00032391

MSnスペクトル情報

Level: 2, プリカーサーm/z: 627.29639

Splash: splash10-0udi-0009302000-7e6951ecdc25d99700fc

m/z	Int.	NL	Rel.Int.
302.21	4973	325	1000
609.30	1745	18	350
401.19	1012	226	203
462.17	848	165	170
591.32	334	36	67
326.25	323	301	65
284.22	300	343	60

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.182	[Flavone]-A(2OH, 2(C-Glu))-B(3OH)	Flavone	6,8-Di-C-glucopyranosyltricetin
0.000	[Flavone]-A(2OH, 1((O-<2,4,5-Trihydroxycinnamoyl>)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-(2,4,5-dihydroxycinnamante)

Level: 3, プリカーサーm/z: 302.21484

Splash: splash10-0a4i-0950000000-9d6c627bbb7250d229f0

m/z	Int.	NL	Rel.Int.
155.02	1028	147	1000
205.01	585	97	569
284.17	207	18	201
148.03	173	154	168
127.05	89	175	86

Level: 3, プリカーサーm/z: 609.30145

Splash: splash10-0udi-0009410000-eb8e69fa05780878d0d9

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
302.15	729	307	1000
462.18	176	147	240
401.23	155	208	212
591.23	102	18	139
284.23	46	325	62

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Flavone]-A(1OH, 1OMe, 2(C-Glu))-B(1OH)	Flavone	6,8-Di-C-glucopyranosylgenkwanin
0.000	[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(E)-ferulate
0.000	[Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH)	Flavone	Isovitexin 2''-O-(E)-ferulate
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OMe)	3-substituted Flavone	3,6-Di-C-glucopyranosylacacetin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin