ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1174 MN MID: SE204_S03_M90

m/z: 271.07457, RT: 14.03, 強度: 8724, ログ強度: 0.55, 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: 0.056, 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	-0.503	3-(Cystein-S-yl)acetaminophen	HMDB: HMDB0240217, HMDB0242116
C11H14O4N2S	270.06743	-0.503	S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine	KEGG: C17238
C19H10O2	270.06808	-2.916	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: 271.07431

Splash: splash10-004i-0490000000-8ba1fcf3a001d53a17bc

m/z	Int.	NL	Rel.Int.
227.02	42733	44	1000
152.01	17800	119	416
236.99	16984	34	397
149.96	6653	121	155
219.03	5883	52	137
176.06	3798	95	88
175.00	2236	96	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.056	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.056	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.056	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.056	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.056	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.056	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.056	[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: 227.01549

Splash: splash10-0udi-0900000000-a95f7a8fde36db8bebac

m/z	Int.	NL	Rel.Int.
151.91	17775	75	1000
176.06	5019	51	282
174.99	2694	52	151
149.89	2294	77	129
183.99	1941	43	109
208.92	1811	18	101

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: 152.01271

Splash: splash10-001i-0900000000-4292da3af7bb7ab7b8d5