ピーク情報

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pos

Peak #4888 MN MID: SE61_S21_M90

m/z: 387.20149, RT: 38.44, 強度: 12193, ログ強度: 0.50, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 15

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: 0.095, 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	0.387	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside	KNApSAcK: C00034988
C19H30O8	386.19407	0.387	2-((1R,2R)-2-((Z)-5-hydroxypent-2-enyl)-3-oxocyclopentyl)acetic acid 5-O-beta-D-glucoside	LipidMAPS: LMFA02020207
C19H30O8	386.19407	0.387	Sonchuionoside C	HMDB: HMDB0035212
C19H30O8	386.19407	0.387	Citroside B	HMDB: HMDB0030370 KNApSAcK: C00029980, C00054961
C19H30O8	386.19407	0.387	Sonchuionoside A	KNApSAcK: C00043017
C19H30O8	386.19407	0.387	Junipeionoloside	KNApSAcK: C00041022
C19H30O8	386.19407	0.387	Apocynoside I	KNApSAcK: C00029703, C00031824
C19H30O8	386.19407	0.387	(6R,9S)-Roseoside	HMDB: HMDB0029772 KNApSAcK: C00029329, C00031467, C00031468, C00032855
C19H30O8	386.19407	0.387	Icariside B1	KNApSAcK: C00031388, C00031825, C00037294
C19H30O8	386.19407	0.387	Staphylionoside A	KNApSAcK: C00031385
C19H30O8	386.19407	0.387	Macarangioside D	KNApSAcK: C00030700
C19H30O8	386.19407	0.387	Icariside B2	KNApSAcK: C00030506, C00033839
C20H26O4N4	386.19541	-3.076	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: 387.20117

Splash: splash10-004i-0192000000-54b49427853ca7a8b486

m/z	Int.	NL	Rel.Int.
225.08	2264	162	1000
369.16	856	18	377
207.07	850	180	375
267.12	250	120	110
189.15	207	198	91
177.14	144	210	63
137.12	127	250	55
167.13	114	220	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol V
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol W
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone D
0.053	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
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: 369.16266

Splash: splash10-0udi-0029000000-bce520836d6624fe70af

m/z	Int.	NL	Rel.Int.
351.19	481	18	1000
217.02	44	152	91
235.03	41	134	84
275.13	40	94	82
311.14	39	58	80

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinin I
0.118	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4'-O-Methylxanthohumol
0.111	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Flavanone	Flowerine
0.071	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Glycyrrhisoflavanone
0.071	[Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Isosophoronol
0.067	[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
0.043	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Sophoflavescenol
0.043	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Isoanhydroicaritin
0.038	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Deoxypiscerythrone
0.038	[Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl))	Isoflavone	Glisoflavone
0.038	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin B
0.038	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone
0.038	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin N
0.038	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Isoflavone	Barpisoflavone B
0.038	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Kwakhurin
0.000	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavonol	Noranhydroicaritin 4'-methyl ether
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Cannflavin B
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Pterocarpan	Edulenol
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

Level: 3, プリカーサーm/z: 225.07504

Splash: splash10-056r-0950000000-7b33347040bc7b780852

m/z	Int.	NL	Rel.Int.
177.06	169	48	1000
207.16	166	18	982
188.97	52	36	305
161.16	28	64	168
169.19	13	56	75
119.18	10	106	61