ピーク情報

リーフレタスグリーン

pos

Peak #8847 MN MID: SE198_S12_M90

m/z: 451.25406, RT: 50.98, 強度: 32482, ログ強度: 1.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (4 names) Atractyloside B;Dictamnoside D;(-)-Dictamnoside D;Vanoxerine

DBごとのヒット数: ALL 3 KG 1 KN 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.235

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C21H38O10	450.24650	0.628	Atractyloside B	KEGG: C17859 KNApSAcK: C00031611
C21H38O10	450.24650	0.628	Dictamnoside D	KNApSAcK: C00045843, C00045848
C28H32ON2F2	450.24827	-3.309	Vanoxerine	HMDB: HMDB0259764

MSnスペクトル情報

Level: 2, プリカーサーm/z: 451.25397

Splash: splash10-00ei-0090400000-081bd804d7dd6337143e

m/z	Int.	NL	Rel.Int.
271.26	851	180	1000
289.13	802	162	941
433.32	677	18	795
432.67	63	19	74
347.35	50	104	58

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(C-Glu))-B(2OH)	Flavanone	8-C-Glucopyranosyleriodictylol
[Flavanone]-A(2OH, 1(C-Glu))-B(2OH)	Flavanone	5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
[Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3a-acetoxy-3-oxofuro[2,3-c]pyrano)))-B(none)	Flavone	Tephrodin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Dihydrocycloartomunin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloaltilisin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Dihydroisocycloartomunin
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl))	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin T
[Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydroflavonol	6-C-Glucosylaromadendrin
[Dihydroflavonol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydroflavonol	8-C-Glucosylaromadendrin
[Flavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Broussoflavonol A
[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b5
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Cajaisoflavone
[Isoflavanone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavanone	Macrocarposide
[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Coumaranochromon	8-Prenyllisetin

Level: 3, プリカーサーm/z: 271.15640

Splash: splash10-03fr-1910000000-284fd6fcc3db99bbae44

m/z	Int.	NL	Rel.Int.
160.99	119	110	1000
179.11	69	92	583
94.98	25	176	209
253.22	23	18	193
81.04	21	190	174
136.83	15	134	129
133.05	14	138	118
105.04	7	166	61
217.17	7	54	59
119.16	7	152	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.235	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.188	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.188	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.188	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.167	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.167	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.158	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.158	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.143	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.143	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
0.125	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.120	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.105	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.105	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.105	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.105	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.105	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.105	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.056	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.056	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.050	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.050	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.050	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.050	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.050	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.050	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.048	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.048	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.048	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.048	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.048	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
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