ピーク情報

リーフレタスグリーン

pos

Peak #3932 MN MID: SE198_S12_M90

m/z: 359.07979, RT: 35.89, 強度: 37502, ログ強度: 1.08, 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: (2 names) SC-1271;1-(4'-Chlorophenyl)-1,4-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 1

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
C18H15O4N2Cl	358.07204	1.328	SC-1271	KEGG: C10969

MSnスペクトル情報

Level: 2, プリカーサーm/z: 359.07956

Splash: splash10-02t9-0290000000-1dedf4c5237253b29e9c

m/z	Int.	NL	Rel.Int.
215.07	19891	144	1000
261.10	14360	98	721
243.10	4172	116	209
187.03	4038	172	203
197.05	2718	162	136
169.11	2251	190	113
233.05	2210	126	111
159.02	2152	200	108
176.99	2034	182	102
279.15	1482	80	74

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe)-B(3OMe)	Flavone	Prosogerin D
[Flavone]-A(2OMe)-B(1OH, 2OMe)	Flavone	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
[Flavone]-A(1OH, 1OMe)-B(3OMe)	Flavone	Corymbosin
[Flavone]-A(1OH, 1OMe)-B(3OMe)	Flavone	Isoetin 7,2',4',5'-tetramethyl ether
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether
[Flavone]-A(3OMe)-B(1OH, 1OMe)	Flavone	Ageconyflavone B
[Flavone]-A(3OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	6-Hydroxyluteolin 6,7,3',4'-tetramethyl ethe
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	5-Hydroxy-2',3',7,8-tetramethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	5-Hydroxy-2',3',7,8-tetramethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	5-hydroxy-7,8,2',5'-tetramethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	Altisin
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	Hypolaetin 7,8,3',4'-tetramethyl ether
[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone
[Flavone]-A(4OMe)-B(1OH)	Flavone	4'-Hydroxy-5,6,7,8-tetramethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(1OMe)	Flavone	7-Hydroxy-5,6,8,4'-tetramethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(1OMe)	Flavone	Gardenin B
[Chalcone]-A(5OMe)-B(none)	Chalcone	Pedicellin
[Isoflavone]-A(1OH, 1OMe)-B(3OMe)	Isoflavone	7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone
[Isoflavone]-A(1OH, 1OMe)-B(3OMe)	Isoflavone	Robustigenin
[Isoflavone]-A(1OH, 2OMe)-B(2OMe)	Isoflavone	Belamcandin
[Flavonol]-A(2OMe)-B(2OMe)	Flavonol	Quercetin 5,7,3',4'-tetramethyl ether
[Aurone]-A(2OH, 1Methyl)-B(3OMe)	Aurone	4,6-Dihydroxy-5-methyl-3',4',5'-trimethoxyaurone
[Aurone]-A(2OH, 1Methyl)-B(3OMe)	Aurone	4,6-Dihydroxy-7-methyl-3',4',5'-trimethoxyaurone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Ponganone X
[Flavanone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	Brosimacutin A
[Flavanone]-A(2OMe, 1Methyl)-B(2OMe)	Flavanone	2',4',5,7-Tetramethoxy-8-methylflavanone
[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Scaberin
[Flavone]-A(2OH, 2Methyl)-B(1OH, 2OMe)	Flavone	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone
[Flavone]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavone	Linderoflavone A
[UBR-type derivative / [3',6']-Benzoquinonyl-type Flavone]-A(1OH, 1OMe)-B(2OMe)	UBR-type derivative / [3',6']-Benzoquinonyl-type Flavone	5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone
[Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Isobutyroyl))	Dihydroflavonol	3,5,7,3'-Tetrahydroxyflavanone 3-O-Isobutyrate
[Flavonol (3-OMe)]-A(1OMe)-B(1OH, 2OMe)	Flavonol	4'-Hydroxy-3,7,3',5'-tetramethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Santoflavone
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Quercetin 3,5,3',4'-tetramethyl ether
[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 3,5,7,3'-tetramethyl ether
[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 3,5,7,4'-tetramethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Retusin(Ariocarpus)
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	6-C-Methylquercetin 3,7,3'-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(2OH)	Flavonol	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavonol	5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	6-Hydroxykaempferol 3,5,7,4'-tetramethyl ether
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Penduletin 4'-methyl ether
[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH)	Flavonol	8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone
[Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Flavonol	3,3'-Dihydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone
[Flavonol]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	5-Hydroxy-3,7,8,2'-tetramethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Flindulatin
[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH)	Flavonol	5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(none)	Flavonol	5-Hydroxy-3,6,7,8-tetramethoxyflavone
[CCS-type derivative / [3,2']-Formyloxidoflavone]-A(2OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Formyloxidoflavone	Distemonanthin
[Flavan 3-ol]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavan 3-ol	6-Prenylcatechin
[Flavan 3-ol]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavan 3-ol	8-Prenylcatechin
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Isoflavone	5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone
[Isoflavone]-A(2OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dalpalatin
[Isoflavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone
[Rotenone]-A(1OH, 1OMe)-B(2OMe)	Rotenone	Sermundone
[12a-Hydroxyrotenone]-A(1OMe)-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxymunduserone
[4-phenylcoumarin]-A(1OH, 2OMe)-B(2OMe)	4-phenylcoumarin	8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin
[4-phenylcoumarin]-A(3OMe)-B(1OH, 1OMe)	4-phenylcoumarin	3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 215.04086

Splash: splash10-014s-0900000000-50522aebe0c5c4cb57aa

m/z	Int.	NL	Rel.Int.
169.11	2787	46	1000
187.04	2331	28	836
197.04	1782	18	639
142.95	537	72	192
159.03	519	56	186
155.04	510	60	183
185.04	452	30	162
173.06	223	42	79

Level: 3, プリカーサーm/z: 261.12839

Splash: splash10-014l-0490000000-1b3c8b0e6875e2e33026

m/z	Int.	NL	Rel.Int.
215.04	2073	46	1000
243.03	1137	18	548
197.14	763	64	368
225.17	479	36	230
187.08	456	74	220
159.08	186	102	89
233.13	161	28	77
169.04	130	92	62
177.09	120	84	57
185.15	113	76	54