ピーク情報

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Peak #6050 MN MID: SE199_S41_M90

m/z: 515.15492, RT: 61.96, 強度: 9822, ログ強度: 0.40, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (3 names) 2'',6''-Di-O-acetylononin;2-[2-(4-Methylphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid;S-Formylmycothiol

DBごとのヒット数: ALL 3 KG 1 KN 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.200

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
C26H26O11	514.14751	0.247	2'',6''-O-Diacetyloninin	HMDB: HMDB0039925 KNApSAcK: C00018999
C27H30O6S2	514.14838	-1.443	2-[2-(4-Methylphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid	HMDB: HMDB0248774
C18H30O13N2S	514.14686	1.515	S-Formylmycothiol	KEGG: C06718

MSnスペクトル情報

Level: 2, プリカーサーm/z: 515.15442

Splash: splash10-0fb9-0917000000-d7d7d7fa3a958c1250cf

m/z	Int.	NL	Rel.Int.
176.98	8029	338	1000
303.11	6306	212	785
285.07	902	230	112
259.16	481	256	59

Level: 3, プリカーサーm/z: 176.97943

Splash: splash10-0006-0900000000-6a500437321855df0017

m/z	Int.	NL	Rel.Int.
144.92	5495	32	1000

Level: 3, プリカーサーm/z: 303.11047

Splash: splash10-004i-0940000000-91fc2575440de93302a0

m/z	Int.	NL	Rel.Int.
176.99	4496	126	1000
285.14	1672	18	371
243.10	545	60	121

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Dihydroflavonol (3-OMe)]-A(1OH)-B(2OH)	Dihydroflavonol	3-O-Methyl-2,3-trans-fustin
0.200	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Okanin 4-methyl ether
0.200	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2',4',6'-Tetrahydroxy-3-methoxychalcone
0.167	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	3,5,8-Trihydroxy-7-methoxyflavanone
0.167	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 5-methyl ether
0.167	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 7-methyl ether
0.167	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Alysifolinone
0.167	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Homoeriodictyol
0.167	[Flavanone]-A(2OH)-B(1OH, 1OMe)	Flavanone	Hesperetin
0.143	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OMe)	Flavan 3-ol	Afzelechin 5,4'-dimethyl ether
0.125	[Dihydroflavonol (3-OMe)]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin 3-methyl ether
0.111	[Dihydroflavonol]-A(2OH, 1OMe)-B(none)	Dihydroflavonol	Alnustinol
0.111	[Dihydroflavonol]-A(2OH)-B(1OMe)	Dihydroflavonol	Aromadendrin 4'-methyl ether
0.091	[Isoflavanone]-A(1OH)-B(2OH, 1OMe)	Isoflavanone	7,2',3'-Trihydroxy-4'-methoxyisoflavanone
0.091	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Ferreirin
0.091	[Isoflavanone]-A(2OH)-B(1OH, 1OMe)	Isoflavanone	Isoferreirin
0.091	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Lanceoletin
0.077	[Flavone]-A(3OH)-B(2OH)	Flavone	6-Hydroxyluteolin
0.077	[Flavone]-A(3OH)-B(2OH)	Flavone	Hypolaetin
0.077	[Flavone]-A(2OH)-B(3OH)	Flavone	Tricetin
0.077	[Flavone]-A(2OH)-B(3OH)	Flavone	Isoetin
0.077	[Chalcone]-A(2OH)-B(2OH, 1OMe)	Chalcone	3,4,3',4'-Tetrahydroxy-2-methoxychalcone
0.077	[Anthocyanidin]-A(2OH)-B(3OH)	Anthocyanidin	Delphinidin
0.077	[Anthocyanidin]-A(3OH)-B(2OH)	Anthocyanidin	6-Hydroxycyanidin
0.077	[Flavanone]-A(3OH, 1OMe)-B(none)	Flavanone	Oresbiusin
0.077	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methoxyflavanone
0.077	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,8,2'-Trihydroxy-7-methoxyflavanone
0.077	[Flavanone]-A(2OH, 1OMe)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methoxyflavanone
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	8-Methoxybutin
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	7,2',6'-Trihydroxy-5-methoxyflavanone
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Scutamoenin
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	5,2',3'-Trihydroxy-7-methoxyflavanone
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Eriodictyol 5-methyl ether
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Sternbin
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OH)	Flavanone	Artocarpanone
0.077	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	4'-O-Methylcarthamidin
0.077	[Flavanone]-A(3OH)-B(1OMe)	Flavanone	5,7,8-Trihydroxy-4'-methoxyflavanone
0.071	[Isoflavone]-A(3OH)-B(2OH)	Isoflavone	5,7,8,2',4'-Pentahydroxyisoflavone
0.053	[Flavonol]-A(2OH)-B(2OH)	Flavonol	3,5,7,2',5'-Pentahydroxyflavone
0.053	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Viscidulin I
0.050	[Flavonol]-A(3OH)-B(1OH)	Flavonol	6-Hydroxykaempferol
0.050	[Flavonol]-A(3OH)-B(1OH)	Flavonol	Herbacetin
0.050	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Rhynchosin
0.050	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Melanoxetin
0.050	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Quercetin
0.050	[Flavonol]-A(2OH)-B(2OH)	Flavonol	Morin
0.050	[Flavonol]-A(1OH)-B(3OH)	Flavonol	Robinetin
0.050	[Flavonol]-A(1OH)-B(3OH)	Flavonol	3,7,2',3',4'-Pentahydroxyflavone
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavan	5-Methoxyvestitol
0.000	[Isoflavan]-A(2OMe)-B(2OH)	Isoflavan	Lotisoflavan
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Sphaerosin
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	4',7-Dihydroxy-2',3'-dimethoxyisoflavan (+-)
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Mucronulatol
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Isomucronulatol
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe)	Isoflavan	Methoxyvestitol
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(1OH)	Dihydrochalcone	Dihydroflavokawain C
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 2OMe)	Dihydrochalcone	2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 2OMe)	Dihydrochalcone	4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	Lusianin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	Calomelanone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OMe)	Dihydrochalcone	2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	Dihydropashanone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 2OMe)-B(none)	Dihydrochalcone	2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone
0.000	[Aurone]-A(2OH)-B(3OH)	Aurone	Bracteatin
0.000	[Auronol]-A(1OH)-B(1OH, 1OMe)	Auronol	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
0.000	[Auronol]-A(1OH, 1OMe)-B(1OH)	Auronol	Carpusin
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(1OH)	Dihydrochalcone	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OMe)	Dihydrochalcone alpha-ol	Odoratol
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Ceratiolin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(2OH)	Flavanone	5,7,3',5'-Tetrahydroxy-6-methylflavanone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(2OH)	Flavanone	6-C-Methyleriodictylol
0.000	[Flavanone]-A(2OH)-B(2OH, 1Methyl)	Flavanone	5'-C-Methyleriodictylol
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(1OH)	Dihydroflavonol	6-Methylaromadendrin
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(none)	Flavan 4-ol	4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	Peltogynan-4-alpha-ol
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	Mopanan-4-alpha-ol
0.000	[Flavan]-A(2OH)-B(2OMe)	Flavan	Diffutidin
0.000	[Flavan]-A(2OMe)-B(2OH)	Flavan	3',4'-Dihydroxy-5,7-dimethoxyflavan
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe)	Pterocarpan-6a-ol	6a,7-Dihydroxymedicarpin
0.000	[[3,2']-Methano-4-phenylchroman (3-OH)]-A(2OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Haematoxylin