ピーク情報

パセリ　根

pos

Peak #7877 MN MID: SE61_S24_M90

m/z: 407.25358, RT: 74.22, 強度: 147930, ログ強度: 1.67, アダクト: [M+H]+, [M+CH3OH-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: Cyrmenin A

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.111

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
C22H34O5N2	406.24677	-1.146	Cyrmenin A	KNApSAcK: C00014988

MSnスペクトル情報

Level: 2, プリカーサーm/z: 407.25345

Splash: splash10-0079-0009000000-edeeda71aaf28cf9e62d

m/z	Int.	NL	Rel.Int.
389.35	23022	18	1000
320.23	19917	87	865
331.28	5203	76	226
345.28	3405	62	147
363.32	3032	44	131
375.35	2551	32	110
390.31	1632	17	70

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupalbigenin
0.091	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	Isolupalbigenin
0.091	[Isoflavone]-A(2OH)-B(1OH, 2(C-Prenyl))	Isoflavone	3',5'-Diprenylgenistein
0.091	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH)	Isoflavone	6,8-Diprenylgenistein
0.045	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavone	Gancaonin Q
0.045	[Flavone]-A(2OH)-B(1OH, 2(C-Prenyl))	Flavone	Honyucitrin
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl))	Pterocarpan	Erycristin
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemiwallichin D
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	Xanthoangelol F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Paratocarpin F
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Angusticornin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	3,2',4'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4,5]chalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	2,4,2'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4',5']chalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Flemingin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none)	2'-Hydroxychalcone	Flemiwallichin F
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Flemingin D
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Sericone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthohumol E
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin C
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Glycyrdione B
0.000	[UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 2(C-Prenyl))-B(none)	UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone	Tunicatachalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropyl-7a-methyl-3a,4,5,7a-tetrahydrobenzofurano)))-B(none)	Dihydrochalcone	Adunctin B
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(8-Isopropyl-1-oxaspiro[4.5]-2,6-decadieno)))-B(none)	Dihydrochalcone	Adunctin C
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Grenoblone
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Minimiflorin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Cajaflavanone
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Lupinifolin
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Flavanone	Euchrenone a2
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Paratocarpin H
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Flavanone	Paratocarpin I
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	Flavanone	Cycloaltilisin 7
0.000	[3-substituted Flavone (3-Geranyl)]-A(1OH)-B(2OH)	3-substituted Flavone	Rubraflavone A
0.000	[Flavone]-A(1OH, 1OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none)	Flavone	Hoslundin
0.000	[Flavone]-A(2OH)-B(1OH, 1Geranyl)	Flavone	Kuwanone S
0.000	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	Kanzonol Z
0.000	[Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	Mundulinol
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,7,4',5'-Tetrahydroxy-3,6,8,2'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone
0.000	[Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1OMe)	Isoflavan	Heminitidulan
0.000	[6-Oxodehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Oxodehydrorotenone	Rotenonone
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isovaleryl)-B(none)	4-phenylcoumarin	Mammeisin
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1(2-Methylbutyroyl))-B(none)	4-phenylcoumarin	5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isovaleryl)-B(none)	4-phenylcoumarin	Mammea A/BA
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1(2-Methylbutyroyl))-B(none)	4-phenylcoumarin	Mammea A/BB

Level: 3, プリカーサーm/z: 320.23425

Splash: splash10-000i-0090000000-1d381ba585db8ae10fef

m/z	Int.	NL	Rel.Int.
288.21	16906	32	1000

Level: 3, プリカーサーm/z: 389.29062

Splash: splash10-0abc-0009000000-e1a027e6d2a30db1b08a

m/z	Int.	NL	Rel.Int.
357.34	3162	32	1000
340.31	2770	49	876
371.31	1236	18	390
372.32	979	17	309
354.39	465	35	147
320.36	382	69	120
339.51	378	50	119
278.37	341	111	107
345.30	338	44	106
303.22	277	86	87
298.31	241	91	76
312.36	238	77	75
302.46	220	87	69
347.22	217	42	68
274.20	214	115	67
322.30	189	67	59
229.21	185	160	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Paratocarpin A
0.111	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Xambioona
0.087	[Flavone]-A(1OMe, 2(C-Prenyl))-B(none)	Flavone	5-Methoxy-7,8-diprenylflavone
0.077	[Chalcone]-A(3OMe)-B(3OMe)	Chalcone	2,3,4,2',4',6'-Hexamethoxychalcone
0.040	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Chalcone	Flemiculosin
0.031	[Flavonol]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin 5,6,7,3',4'-pentamethyl ether
0.031	[Flavonol]-A(2OMe)-B(3OMe)	Flavonol	3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(4OMe)	Flavone	5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(1OH, 2OMe)	Flavone	Ageconyflavone C
0.000	[Flavone]-A(1OH, 2OMe)-B(3OMe)	Flavone	Umuhengerin
0.000	[Flavone]-A(1OH, 2OMe)-B(3OMe)	Flavone	Agehoustin G
0.000	[Flavone]-A(1OH, 2OMe)-B(3OMe)	Flavone	Serpyllin
0.000	[Flavone]-A(4OMe)-B(1OH, 1OMe)	Flavone	3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(2OMe)	Flavone	Demethylnobiletin
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Dihydrochalcone	Calomelanol D-1
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none)	Flavanone	Spinoflavanone A
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavanone	Sigmoidin G
0.000	[Flavanone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agecorynin A
0.000	[Flavone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Kanzonol E
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe)	Flavonol	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe)	Flavonol	Combretol
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe)	Flavonol	5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe)	Flavonol	2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Grantiodin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Quercetagetin 3,5,6,3',4'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,5,6,7,3'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Artemetin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,5,7,8,3'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Gossypetin 3,5,8,3',4'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	Gossypetin 3,7,8,3',4'-pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe)	Flavonol	Emmaosunin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe)	Flavonol	5-Hydroxyauranetin
0.000	[Flavonol]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin C

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	74.21	429.23582	21.9822	0.44	[M+Na]+	Cyrmenin A	ALL 1 KN 1	MS2 MS3		0.091	1
7877	74.22	407.25358	0.0000	1.67	[M+H]+, [M+CH3OH-H2O+H]+	Cyrmenin A	ALL 1 KN 1	MS2 MS3 x 2	0.091	0.111	1
	74.29	389.24338	-18.0102	0.74	[M-H2O+H]+	Cyrmenin A	ALL 1 KN 1	MS2 MS3 x 2	0.115	0.111	1

ピーク情報

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MSnスペクトル情報

FlavonoidSearch結果

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