ピーク情報

＜魚類＞ひらめ天然生

pos

Peak #1396 MN MID: SE169_S102341_M90

m/z: 697.10033, RT: 18.61, 強度: 513222, ログ強度: 2.19, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 31

DB検索結果: (3 names) Chaetocin;Verticillin A;(+)-Verticillin A

DBごとのヒット数: ALL 2 KN 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
C30H28O6N6S4	696.09532	-3.252	Chaetocin	KNApSAcK: C00025536
C30H28O6N6S4	696.09532	-3.252	Verticillin A	KNApSAcK: C00018793, C00025544

Level: 2, プリカーサーm/z: 697.09814

Splash: splash10-0002-0009010000-c28740a70329995bbb34

m/z	Int.	NL	Rel.Int.
348.98	7984	348	1000
349.96	7335	347	918
561.92	1540	135	192
485.87	1132	211	141
560.83	967	136	121
484.76	413	212	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(3x2-hydroxybenzyl))-B(none)	Dihydrochalcone	2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone

Level: 3, プリカーサーm/z: 348.98022

Splash: splash10-000i-0910000000-d2a9cb6d07566f59eed1

m/z	Int.	NL	Rel.Int.
136.99	2114	212	1000
233.08	268	116	126
118.97	190	230	90

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

Level: 3, プリカーサーm/z: 349.96307

Splash: splash10-000i-0900000000-f5b42cf5c3b9166e75ad

m/z	Int.	NL	Rel.Int.
137.94	1159	212	1000
136.97	716	213	617
234.14	195	116	168
118.97	69	231	59