ピーク情報

細ネギ（若香）地下部

pos

Peak #2928 MN MID: SE201_S21_M90

m/z: 554.16897, RT: 40.98, 強度: 15694, ログ強度: 0.61, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: Hydroxy Desmethyl Bosentan

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.118

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
C26H27O7N5S	553.16312	-2.585	Hydroxy Desmethyl Bosentan	HMDB: HMDB0253253

MSnスペクトル情報

Level: 2, プリカーサーm/z: 554.16882

Splash: splash10-0a4i-0190500000-f65433935e5d599d1eaf

m/z	Int.	NL	Rel.Int.
208.99	8834	345	1000
401.21	2498	153	282
433.18	1930	121	218
415.10	1395	139	157
177.04	814	377	92
181.01	791	373	89
261.04	507	293	57
331.22	462	223	52

Level: 3, プリカーサーm/z: 209.01430

Splash: splash10-003r-0900000000-73b1329121a56a3f8e4f

m/z	Int.	NL	Rel.Int.
181.06	2116	28	1000
177.00	1134	32	535
149.07	522	60	246
92.97	282	116	133
153.04	169	56	80
120.99	123	88	58

Level: 3, プリカーサーm/z: 401.23395

Splash: splash10-001i-0009000000-a51833b5982ec9c6400e

m/z	Int.	NL	Rel.Int.
383.13	768	18	1000
365.13	243	36	316
337.15	229	64	298
355.10	95	46	124
371.32	73	30	94
339.20	69	62	89
369.24	65	32	85

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
0.118	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Isotirumalin
0.118	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Scariosin
0.118	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Tirumalin
0.048	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone E
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone D
0.000	[Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano)))	Flavanone	Lophirone J
0.000	[Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Torosaflavone A
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH)	Flavone	6-C-beta-D-Oliopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH)	Flavone	6-C-beta-D-Boivinopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH)	Flavone	6-C-beta-D-Epioliosylapigenin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavonol	8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
0.000	[Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH)	Flavonol	3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Brevicornin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone
0.000	[Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavanone-3-ol	Echinoisoflavanone
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl))	Coumestan	Mirificoumestan glycol