ピーク情報

＜畜肉類＞うし［交雑牛肉］リブロース脂身つき生

pos

Peak #61 MN MID: SE120_S112541_M90

m/z: 359.20379, RT: 10.41, 強度: 4085, ログ強度: 0.15, 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: (2 names) 4,4'-Thiobis(6-tert-butyl-m-cresol);2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.154

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
C22H30O2S	358.19665	-0.381	4,4'-Thiobis(6-tert-butyl-m-cresol)	HMDB: HMDB0247683
C22H30O2S	358.19665	-0.381	2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid	HMDB: HMDB0244927

MSnスペクトル情報

Level: 2, プリカーサーm/z: 359.20255

Splash: splash10-0a4i-0019000000-8c7f4ac57a318fe0f378

m/z	Int.	NL	Rel.Int.
305.21	5146	54	1000
227.10	727	132	141
323.21	700	36	136

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: 305.20905

Splash: splash10-02ti-0790000000-9209d3b57420ecafd89a

m/z	Int.	NL	Rel.Int.
168.01	1197	137	1000
210.07	1063	95	887
287.12	622	18	519
259.08	229	46	191
109.95	180	195	150
150.08	135	155	112
192.08	100	113	83
108.04	63	197	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Dihydroflavonol]-A(3OH)-B(1OH)	Dihydroflavonol	3,5,7,8,4'-Pentahydroxyflavanone
0.200	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	8-Hydroxyfustin
0.200	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,2',5'-Pentahydroxyflavanone
0.200	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,2',6'-Pentahydroxyflavanone
0.200	[Dihydroflavonol]-A(1OH)-B(3OH)	Dihydroflavonol	Dihydrorobinetin
0.154	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	Taxifolin
0.154	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	Dihydromorin
0.143	[Dihydroflavonol]-A(2OH)-B(2OH)	Dihydroflavonol	3,5,7,3',5'-Pentahydroxyflavanone
0.118	[Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	6'',6''-Dimethylpyrano[2'',3'':7,8]flavone
0.083	[Flavan 3-ol]-A(1OH, 1OMe)-B(2OH)	Flavan 3-ol	Catechin-7-methyl ether
0.083	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Symplocosidin
0.083	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 4'-methyl ether
0.083	[Flavan 3-ol]-A(2OH)-B(1OH, 1OMe)	Flavan 3-ol	Catechin-3'-methyl ether
0.063	[2'-Hydroxychalcone]-A(3OH)-B(3OH)	2'-Hydroxychalcone	3,4,5,2',4',6'-Hexahydroxychalcone
0.059	[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

Level: 3, プリカーサーm/z: 227.10052

Splash: splash10-03di-0290000000-3cf13ad6ef0333a2b802

m/z	Int.	NL	Rel.Int.
210.11	479	17	1000
209.15	141	18	294
109.98	74	117	153
155.97	47	71	98
180.04	38	47	79