ピーク情報

＜牛乳及び乳製品＞（液状乳類）生乳ホルスタイン種

pos

Peak #1186 MN MID: SE112_S130021_M90

m/z: 441.10083, RT: 11.86, 強度: 99267, ログ強度: 1.49, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 122

DB検索結果: (2 names) 9,10-dibromo-octadecanoic acid;3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)

DBごとのヒット数: ALL 2 HM 1 LM 1

FlavonoidSearch最大スコア MS2: 0.071, MS3: 0.091

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
C18H34O2Br2	440.09255	2.286	9,10-dibromo-octadecanoic acid	LipidMAPS: LMFA01090084
C19H20O12	440.09548	-4.358	3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)	HMDB: HMDB0039307

MSnスペクトル情報

Level: 2, プリカーサーm/z: 441.10065

Splash: splash10-0006-0009000000-e778a68105ae7fb031ac

m/z	Int.	NL	Rel.Int.
343.02	3255	98	1000
325.07	574	116	176
423.01	258	18	79

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH)	Dihydroflavonol	Kushenol L
0.063	[Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH)	Flavanone	Kenusanone B
0.000	[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Dihydrochalcone	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	Dihydrochalcone	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl))	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
0.000	[Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH)	Flavanone	Lonchocarpol E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	2'',3''-Dihydroxylupinifolin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	Flavanone	Dorsmanin H
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin G
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone V
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone VI
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone E
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone G
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH)	Dihydroflavonol	Diplacol
0.000	[Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol X
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene)))	Flavan 3-ol	Amurensisin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerythynone

Level: 3, プリカーサーm/z: 343.02002

Splash: splash10-00di-0009000000-47c1dd2b341c3f1ca69b

m/z	Int.	NL	Rel.Int.
324.75	36	18	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavone]-A(1OH)-B(3OH)	Flavone	7,2',4',5'-Tetrahydroxyflavone
0.050	[Isoflavone]-A(1OMe)-B(3OMe)	Isoflavone	7,2',4',5'-Tetramethoxyisoflavone
0.050	[Isoflavone]-A(2OMe)-B(2OMe)	Isoflavone	6,7,3',4'-Tetramethoxyisoflavone
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Zapotin
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Cerrosillin
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	5,7,2',5'-tetramethoxyflavone
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Luteolin 5,7,3',4'-tetramethyl ether
0.000	[Flavone]-A(2OMe)-B(2OMe)	Flavone	Norartocarpetin 5,7,2',4'-tetramethyl ether
0.000	[Flavone]-A(3OMe)-B(1OMe)	Flavone	Scutellarein 5,6,7,4'-tetramethyl ether
0.000	[Flavone]-A(3OMe)-B(1OMe)	Flavone	4',5,7,8-Tetramethoxyflavone
0.000	[Flavone]-A(4OMe)-B(none)	Flavone	5,6,7,8-Tetramethoxyflavone
0.000	[Aurone]-A(2OMe)-B(2OMe)	Aurone	4,6,3',4'-Tetramethoxyaurone
0.000	[Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Chalcone	3,4-Methylenedioxy-2',4',6'-trimethoxychalcone
0.000	[alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy))	alpha-Methyl-beta-oxodihydrochalcone	Tinosporinone
0.000	[Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavanone	Brosimacutin C
0.000	[Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavone	2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
0.000	[Flavone]-A(2OH, 2Methyl)-B(2OMe)	Flavone	5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(2OMe)	Flavonol	Fisetin tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OMe)	Flavonol	Tetramethylkaempferol
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Flavonol	8-Desmethylkalmiatin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavonol	6,8-Di-C-methylkaempferol 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(none)	Flavonol	3,5,6,7-Tetramethoxyflavone
0.000	[Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavonol	3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(none)	Flavonol	3,5,7,8-Tetramethoxyflavone
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH)	Flavan 3-ol	Phyllocoumarin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dalpatein
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone F
0.000	[Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Isoflavone	5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Isoiriskashmirianin
0.000	[Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Dipteryxine
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Squarrosin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Iriskashmirianin
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Iriskumaonin
0.000	[Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Platycarpanetin
0.000	[Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Leiocalycin
0.000	[Pterocarpene]-A(1OMe)-B(3OMe)	Pterocarpene	Bryacarpene 3
0.000	[Rotenone]-A(1OMe)-B(2OMe)	Rotenone	Munduserone
0.000	[4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe)	4-phenylcoumarin	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe)	4-phenylcoumarin	Sisafolin