ピーク情報

細ネギ（若香）地上部

pos

Peak #3782 MN MID: SE201_S11_M90

m/z: 387.20132, RT: 40.09, 強度: 248780, ログ強度: 2.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 12

DB検索結果: (17 names) (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside;2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside;Sonchuionoside A;(-)-Sonchuionoside A;...

DBごとのヒット数: ALL 13 KN 10 HM 2 LM 1

FlavonoidSearch最大スコア MS2: 0.059, MS3: 0.143

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
C19H30O8	386.19407	-0.067	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside	KNApSAcK: C00034988
C19H30O8	386.19407	-0.067	2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside	LipidMAPS: LMFA02020207
C19H30O8	386.19407	-0.067	Sonchuionoside C	HMDB: HMDB0035212
C19H30O8	386.19407	-0.067	Citroside B	HMDB: HMDB0030370 KNApSAcK: C00029980, C00054961
C19H30O8	386.19407	-0.067	Sonchuionoside A	KNApSAcK: C00043017
C19H30O8	386.19407	-0.067	Junipeionoloside	KNApSAcK: C00041022
C19H30O8	386.19407	-0.067	Apocynoside I	KNApSAcK: C00029703, C00031824
C19H30O8	386.19407	-0.067	(6R,9S)-Roseoside	HMDB: HMDB0029772 KNApSAcK: C00029329, C00031467, C00031468, C00032855
C19H30O8	386.19407	-0.067	Icariside B1	KNApSAcK: C00031388, C00031825, C00037294
C19H30O8	386.19407	-0.067	Staphylionoside A	KNApSAcK: C00031385
C19H30O8	386.19407	-0.067	Macarangioside D	KNApSAcK: C00030700
C19H30O8	386.19407	-0.067	Icariside B2	KNApSAcK: C00030506, C00033839
C20H26O4N4	386.19541	-3.530	8-(3,4-Dimethoxyphenyl)-7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione	HMDB: HMDB0244693

MSnスペクトル情報

Level: 2, プリカーサーm/z: 387.20102

Splash: splash10-0gdi-0069000000-e5389ad0e34e9cce8361

m/z	Int.	NL	Rel.Int.
369.07	1100	18	1000
225.04	988	162	897
351.20	575	36	522
207.00	341	180	309
333.16	142	54	129
123.10	107	264	97

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol V
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol W
0.050	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone D
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	2'-Hydroxychalcone	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavanone	Calomelanol J
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none)	Flavone	Fulvinervin B
0.000	[Flavone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe)	Flavone	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
0.000	[Flavone]-A(4OMe)-B(1([@@]-Methylenedioxy))	Flavone	Linderoflavone B
0.000	[Flavonol (3-OMe)]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	Topazolin hydrate
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Icaritin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melisimplexin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Meliternin
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
0.000	[Flavan 3,4-diol (4-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
0.000	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Isoflavone	Kwakhurin hydrate
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe)	Isoflavone	Irisflorentin
0.000	[Isoflavone]-A(4OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
0.000	[Isoflavanone-3-ol]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone-3-ol	Secundifloran

Level: 3, プリカーサーm/z: 225.03546

Splash: splash10-05fr-0930000000-564537902653e50639b1

m/z	Int.	NL	Rel.Int.
122.92	117	102	1000
207.16	73	18	623
149.02	28	76	237
108.91	21	116	179
124.96	13	100	107
66.86	8	158	71

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Chalcone]-A(1OH)-B(none)	Chalcone	4'-Hydroxychalcone

Level: 3, プリカーサーm/z: 369.07394

Splash: splash10-0udi-0129000000-a41969d3edebe18e2032

m/z	Int.	NL	Rel.Int.
351.21	102	18	1000
207.13	35	162	347
333.13	20	36	201
409.98	9	-41	84
123.11	8	246	77
225.01	7	144	71
161.05	7	208	70
322.99	6	46	58
171.13	5	198	51
353.90	5	15	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin B
0.143	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone
0.143	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin N
0.143	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Kwakhurin
0.136	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Flavanone	Flowerine
0.115	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavonol	Noranhydroicaritin 4'-methyl ether
0.111	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Glycyrrhisoflavanone
0.111	[Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Isosophoronol
0.105	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.105	[Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinin I
0.103	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Deoxypiscerythrone
0.103	[Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl))	Isoflavone	Glisoflavone
0.103	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Isoflavone	Barpisoflavone B
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4'-O-Methylxanthohumol
0.074	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Sophoflavescenol
0.074	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Isoanhydroicaritin
0.050	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Pterocarpan	Edulenol
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Cannflavin B
0.000	[Flavanone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	Quercetol C
0.000	[Flavanone]-A(2OMe, 1(3-Methyl-2,3-epoxybutyl))-B(none)	Flavanone	Epoxycandidone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Hydroxymethyl)-B(1OH)	Flavanone	4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
0.000	[UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone]-A(1OH, 2Methyl, 1(1-Methyl-1-([5,4;6,5]-tetrahydrofuran-3-yl)-ethyl))-B(none)	UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone	Louisfieserone A
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Flavone	Ciliatin B
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH)	3-substituted Flavone	Integrin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclochampedol
0.000	[CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone	Cyclointegrin
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artoindonesianin P
0.000	[Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	Topazolin
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OMe)	Flavonol	3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH)	Flavonol	Ugonin C
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	Velloquercetin
0.000	[Flavan 4-ol (4-OMe)]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan 4-ol	Quercetol B
0.000	[Flavan-2-ol (2-OMe)]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan-2-ol	Tephrowatsin D
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Isoflavan	Sphaerosinin
0.000	[Isoflavan]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Leiocinol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautanol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OMe)	Pterocarpan	Edulane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OMe)	Pterocarpan-6a-ol	9-O-Methylglyceofuran
0.000	[Coumestan]-A(1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))-B(1OH)	Coumestan	Corylidin
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-Furano))-B(2OMe)	Rotenone	Malaccol
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerosone
0.000	[Coumaranochromon]-A(2OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Coumaranochromon	Lupinalbin E
0.000	[Coumaranochromon]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Coumaranochromon	Lupinalbin C
0.000	[3-Phenylcoumarin]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	3-Phenylcoumarin	Glycycoumarin
0.000	[3-Phenylcoumarin]-A(1OH, 1OMe, 1(1,1-Dimethylallyl))-B(2OH)	3-Phenylcoumarin	Licoarylcoumarin
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	3-Phenylcoumarin	Isoglycycoumarin

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
	40.07	432.25938	45.0581	1.23	[M+C2H7N+H]+	(17 names) (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside; 2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside; Sonchuionoside A; (-)-Sonchuionoside A; ...	ALL 13 KN 10 HM 2 LM 1	MS2 MS3 x 2		0.125	9
	40.09	404.22796	17.0266	1.37	[M+NH4]+	(17 names) (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside; 2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside; Sonchuionoside A; (-)-Sonchuionoside A; ...	ALL 13 KN 10 HM 2 LM 1				8
3782	40.09	387.20132	0.0000	2.01	[M+H]+	(17 names) (6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside; 2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside; Sonchuionoside A; (-)-Sonchuionoside A; ...	ALL 13 KN 10 HM 2 LM 1	MS2 MS3 x 2	0.059	0.143	12

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MSnスペクトル情報

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