ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1050 MN MID: SE204_S07_M90

m/z: 271.07451, RT: 14.04, 強度: 2846, ログ強度: 0.03, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (4 names) 3-(Cystein-S-yl)acetaminophen;S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine;10-Oxabenzo[def]chrysen-9-one;9H-Pyreno[1,2-b]pyran-9-one

DBごとのヒット数: ALL 3 KG 2 HM 1

FlavonoidSearch最大スコア MS2: 0.059, MS3: -

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
C11H14O4N2S	270.06743	-0.702	3-(Cystein-S-yl)acetaminophen	HMDB: HMDB0240217, HMDB0242116
C11H14O4N2S	270.06743	-0.702	S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine	KEGG: C17238
C19H10O2	270.06808	-3.115	10-Oxabenzo[def]chrysen-9-one	KEGG: C18281

MSnスペクトル情報

Level: 2, プリカーサーm/z: 271.07455

Splash: splash10-004i-0390000000-82abdbdcc594831a3818

m/z	Int.	NL	Rel.Int.
226.99	18921	44	1000
151.90	7333	119	387
237.00	6967	34	368
149.95	3124	121	165
219.09	2360	52	124
176.02	1456	95	76

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.059	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.059	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.059	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.059	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.059	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.059	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.000	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.000	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.000	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.000	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.000	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.000	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.000	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.000	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.000	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.000	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.000	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.000	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.000	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.000	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.000	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.000	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.000	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
0.000	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.000	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.000	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.000	[Aurone]-A(1OH)-B(2OH)	Aurone	Sulfuretin
0.000	[Aurone]-A(2OH)-B(1OH)	Aurone	4,6,4'-Trihydroxyaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Methyllucidone
0.000	[UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none)	UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone	4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Strobopinin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Cryptostrobin
0.000	[Flavan]-A(1OMe, 1Methyl)-B(1OH)	Flavan	4'-Hydroxy-7-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavan	7-Hydroxy-3',4'-methylenedioxyflavan
0.000	[Flavan]-A(2OMe)-B(none)	Flavan	Tephrowatsin E
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavan	7-Hydroxy-5-methoxy-6-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH)	3-DehydroxyAnthocyanidin	Luteolinidin
0.000	[isoflavene]-A(1OH)-B(1OH, 1OMe)	isoflavene	Haginin B
0.000	[2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Vignafuran
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(none)	Dalbergiquinol	5-Hydroxy-2,4-dimethoxydalbergiquinol
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4'-Hydroxy-4-methoxydalbergione

Level: 3, プリカーサーm/z: 226.98854

Splash: splash10-0udi-0900000000-6d54e17ab468cfa1da2f

m/z	Int.	NL	Rel.Int.
151.90	6006	75	1000
176.06	1698	51	282
175.03	864	52	143
149.98	757	77	126
184.02	607	43	101
208.99	553	18	92

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavan]-A(1OH)-B(none)	Flavan	7-Hydroxyflavan

Level: 3, プリカーサーm/z: 151.99129

Splash: splash10-001i-0900000000-8540c8ebc068497978b9