ピーク情報

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Peak #1207 MN MID: SE199_S41_M90

m/z: 271.07463, RT: 14.61, 強度: 5695, ログ強度: 0.16, 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	-0.257	3-(Cystein-S-yl)acetaminophen	HMDB: HMDB0240217, HMDB0242116
C11H14O4N2S	270.06743	-0.257	S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine	KEGG: C17238
C19H10O2	270.06808	-2.670	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-0390000000-5cf458c5c022cfee78c4

m/z	Int.	NL	Rel.Int.
227.05	31872	44	1000
151.98	12772	119	400
237.06	12529	34	393
149.94	4940	121	154
219.11	4634	52	145
176.08	2775	95	87

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: 227.05144

Splash: splash10-0udi-0900000000-edca2952bb75b7b145c5

m/z	Int.	NL	Rel.Int.
151.98	7753	75	1000
176.05	1904	51	245
149.98	1227	77	158
175.04	1159	52	149
209.03	1105	18	142
184.04	840	43	108
163.06	459	64	59

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: 151.99438

Splash: splash10-001i-0900000000-cc79480a7a7595012e90