ピーク情報

パセリ　根

pos

Peak #4372 MN MID: SE61_S24_M90

m/z: 369.11802, RT: 42.64, 強度: 10016, 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）: 9

DB検索結果: (12 names) O-feruloylquinate;Methyl-4-O-caffeoylquinate;(+)-Methyl-4-O-caffeoylquinate;Cnidioside A;3-O-Caffeoyl-1-O-methylquinic acid;2beta,3beta-Epoxybishopantholide;5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glu...

DBごとのヒット数: ALL 11 KG 1 KN 5 HM 5

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

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
C17H20O9	368.11073	0.039	O-feruloylquinate	HMDB: HMDB0240453, [-1]HMDB0304441
C17H20O9	368.11073	0.039	Cnidioside A	KNApSAcK: C00031684
C17H20O9	368.11073	0.039	Methyl-4-O-caffeoylquinate	KNApSAcK: C00042739
C17H20O9	368.11073	0.039	3-O-Caffeoyl-1-O-methylquinic acid	HMDB: HMDB0039959
C17H20O9	368.11073	0.039	2beta,3beta-Epoxybishopantholide	KNApSAcK: C00020432
C17H20O9	368.11073	0.039	5-(3'-Hydroxyphenyl)-Î³-valerolactone 3'-glucuronide	HMDB: HMDB0240471
C17H20O9	368.11073	0.039	Feruloylquinic acid	HMDB: HMDB0302684
C17H20O9	368.11073	0.039	Phellodenol H	KNApSAcK: C00030985
C17H20O9	368.11073	0.039	5-(4â-hydroxyphenyl)-Î³-valerolactone 4'-glucuronide	HMDB: HMDB0240475
C17H20O9	368.11073	0.039	5-Caffeoylquinic acid methyl ester	KNApSAcK: C00029558, C00029948, C00035932
C17H20O9	368.11073	0.039	5-O-Feruloylquinic acid	HMDB: HMDB0030669, HMDB0039960, HMDB0240478 KEGG: C02572 KNApSAcK: C00035939, C00052735

MSnスペクトル情報

Level: 2, プリカーサーm/z: 369.11786

Splash: splash10-0006-0954000000-e3400821af19ec654943

m/z	Int.	NL	Rel.Int.
193.04	6807	176	1000
235.06	2503	134	367
333.13	1790	36	262
351.05	1747	18	256
215.07	1318	154	193
277.11	695	92	102
197.05	475	172	69
305.16	376	64	55
186.95	366	182	53
140.93	353	228	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Glycyrrhisoflavanone
0.105	[Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinin I
0.087	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Flavanone	Flowerine
0.067	[Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl))	Isoflavone	Glisoflavone
0.053	[Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Isosophoronol
0.050	[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	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4'-O-Methylxanthohumol
0.036	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Sophoflavescenol
0.036	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Isoanhydroicaritin
0.032	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Deoxypiscerythrone
0.032	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin B
0.032	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone
0.032	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin N
0.032	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Isoflavone	Barpisoflavone B
0.032	[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: 193.04202

Splash: splash10-0006-9100000000-6a6b37e7e1f431c823d2

m/z	Int.	NL	Rel.Int.
91.02	3090	102	1000
118.66	261	74	84
137.04	220	56	71

Level: 3, プリカーサーm/z: 235.05612

Splash: splash10-0006-9100000000-d878f0011aa98757358d

m/z	Int.	NL	Rel.Int.
91.02	1332	144	1000
118.83	217	116	163
99.01	100	136	75