ピーク情報

細ネギ（若香）地上部

pos

Peak #3725 MN MID: SE201_S11_M90

m/z: 380.09411, RT: 39.97, 強度: 1723460, ログ強度: 2.85, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (3 names) 2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene;Azo-mustard;CB 1414

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.286

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
C18H19O2N3Cl2	379.08543	3.697	2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene	KEGG: C14626

MSnスペクトル情報

Level: 2, プリカーサーm/z: 380.09384

Splash: splash10-0udi-0090000000-240d324257e71f8166eb

m/z	Int.	NL	Rel.Int.
251.00	435547	129	1000
305.05	39379	75	90

Level: 3, プリカーサーm/z: 250.99738

Splash: splash10-004r-0920000000-d85e63e2706316f6e5f6

m/z	Int.	NL	Rel.Int.
187.93	30829	63	1000
177.02	16881	74	547
129.92	14496	121	470
234.03	12318	17	399
175.90	11832	75	383
116.01	9373	135	304
147.98	8066	103	261
233.07	5929	18	192
217.07	3562	34	115
216.09	2498	35	81
170.06	1553	81	50
111.93	1549	139	50

Level: 3, プリカーサーm/z: 305.04303

Splash: splash10-001i-0290000000-ddc0721f4ce9a8951eed

m/z	Int.	NL	Rel.Int.
231.02	4089	74	1000
287.01	1909	18	466
147.97	1722	157	421
276.95	573	28	140
258.97	489	46	119
128.79	224	176	54
200.08	210	105	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.286	[Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	6'',6''-Dimethylpyrano[2'',3'':7,8]flavone
0.222	[Dihydroflavonol]-A(3OH)-B(1OH)	Dihydroflavonol	3,5,7,8,4'-Pentahydroxyflavanone
0.222	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	8-Hydroxyfustin
0.222	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,2',5'-Pentahydroxyflavanone
0.222	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,2',6'-Pentahydroxyflavanone
0.222	[Dihydroflavonol]-A(1OH)-B(3OH)	Dihydroflavonol	Dihydrorobinetin
0.167	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	Taxifolin
0.167	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	Dihydromorin
0.154	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,3',5'-Pentahydroxyflavanone
0.091	[Flavan 3-ol]-A(1OH, 1OMe)-B(2OH)	Flavan 3-ol	Catechin-7-methyl ether
0.091	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Symplocosidin
0.091	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 4'-methyl ether
0.091	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Catechin-3'-methyl ether
0.067	[2'-Hydroxychalcone]-A(3OH)-B(3OH)	2'-Hydroxychalcone	3,4,5,2',4',6'-Hexahydroxychalcone
0.063	[Flavanone]-A(2OH)-B(3OH)	Flavanone	5,7,3',4',5'-Pentahydroxyflavanone
0.000	[Isoflavan]-A(2OH)-B(2OH, 1OMe)	Isoflavan	3',8-Dihydroxyvestitol
0.000	[Auronol]-A(2OH)-B(2OH)	Auronol	Nigrescin
0.000	[Auronol]-A(2OH)-B(2OH)	Auronol	Alphitonin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(2OH)	beta-Hydroxy(or Oxodihydro)chalcone	3,4,2',4',6',beta-Hexahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone alpha-ol	3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(2OH)	2-Hydroxyflavanone	2,5,7,3',4'-Pentahydroxyflavanone
0.000	[Flavone]-A(2OH, 1Cl)-B(1OH)	Flavone	6-Chloroapigenin
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe)-B(1OH)	Flavan 3,4-diol	Ortin-4alpha-ol 8-methyl ether