ピーク情報

リーフレタスグリーン

pos

Peak #7791 MN MID: SE198_S12_M90

m/z: 450.23401, RT: 47.11, 強度: 60984, ログ強度: 1.29, アダクト: [M+IsoProp+H]+, [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: Reproterol

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.111

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
C18H23O5N5	389.16992	-1.802	Reproterol	HMDB: HMDB0257155

MSnスペクトル情報

Level: 2, プリカーサーm/z: 450.23404

Splash: splash10-00e9-0090300000-94d5fa1f2c26eead3b72

m/z	Int.	NL	Rel.Int.
270.92	1256	179	1000
432.74	642	17	511
253.13	442	197	351
431.49	81	19	64

Level: 3, プリカーサーm/z: 270.91672

Splash: splash10-0udi-0090000000-6752ce45f5d99118484d

m/z	Int.	NL	Rel.Int.
253.09	58	18	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.111	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.111	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.111	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.111	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.111	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.111	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.111	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.091	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.091	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.091	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.091	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.091	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.091	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.091	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.091	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.091	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.091	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.091	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.091	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.091	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.091	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.091	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.083	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.083	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.083	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.083	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.083	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.083	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.083	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.059	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.056	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.000	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.000	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
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: 432.73697

Splash: splash10-0imr-0049700000-abd20ef90f78bf6015ff

m/z	Int.	NL	Rel.Int.
413.98	14	19	1000
404.31	8	28	545
339.29	5	93	361
329.07	5	104	356
281.12	4	152	249
323.26	3	109	215
288.07	3	145	210
246.36	3	186	209
379.20	3	54	199
316.15	3	117	194
354.24	3	78	179
397.26	2	35	138
253.41	2	179	138
242.22	2	191	136
358.20	2	75	128
370.48	2	62	125
402.37	2	30	107
374.38	2	58	107
260.85	1	172	103
414.61	1	18	92

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(3OMe)-B(4OMe)	Flavone	Agehoustin B
[Flavone]-A(4OMe)-B(3OMe)	Flavone	5,6,7,8,3',4',5'-Heptamethoxyflavone
[Flavone]-A(4OMe)-B(3OMe)	Flavone	Agecorynin C
[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Neovitexin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Vitexin
[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Isovitexin
[Flavonol]-A(1OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-Glucosylresokaempferol
[Isoflavone]-A(1OH, 1(C-Glu))-B(2OH)	Isoflavone	8-Glucosyl 3'-hydroxydaidzein
[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH)	Isoflavone	Genistein 8-C-glucoside
[Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe)	Chalcone	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe)	Flavanone	Calomelanol G
[Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH)	Flavone	8-C-beta-D-Galactopyranosylapigenin
[Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-beta-D-Galactosylapigenin
[Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH)	Flavone	6-C-Chinovopyranosylluteolin
[Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH)	Flavone	6-C-Fucopyranosylluteolin
[Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH)	Flavone	8-C-Rhamnopyranosylluteolin
[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artocommunol CA
[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	3,5,6,7,3',4',5'-Heptamethoxyflavone
[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	Benthamitin
[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	Hibiscetin heptamethyl ether
[Flavonol (3-OMe)]-A(4OMe)-B(2OMe)	Flavonol	3,5,6,7,8,3',4'-Heptamethoxyflavone
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone