ピーク情報

シロイヌナズナ　地上部

pos

Peak #3800 MN MID: SE200_S1_M90

m/z: 369.11787, RT: 43.45, 強度: 13044, ログ強度: 0.49, 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: 0.095, 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	-0.369	O-feruloylquinate	HMDB: HMDB0240453, [-1]HMDB0304441
C17H20O9	368.11073	-0.369	Cnidioside A	KNApSAcK: C00031684
C17H20O9	368.11073	-0.369	Methyl-4-O-caffeoylquinate	KNApSAcK: C00042739
C17H20O9	368.11073	-0.369	3-O-Caffeoyl-1-O-methylquinic acid	HMDB: HMDB0039959
C17H20O9	368.11073	-0.369	2beta,3beta-Epoxybishopantholide	KNApSAcK: C00020432
C17H20O9	368.11073	-0.369	5-(3'-Hydroxyphenyl)-Î³-valerolactone 3'-glucuronide	HMDB: HMDB0240471
C17H20O9	368.11073	-0.369	Feruloylquinic acid	HMDB: HMDB0302684
C17H20O9	368.11073	-0.369	Phellodenol H	KNApSAcK: C00030985
C17H20O9	368.11073	-0.369	5-(4â-hydroxyphenyl)-Î³-valerolactone 4'-glucuronide	HMDB: HMDB0240475
C17H20O9	368.11073	-0.369	5-Caffeoylquinic acid methyl ester	KNApSAcK: C00029558, C00029948, C00035932
C17H20O9	368.11073	-0.369	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: 369.11807

Splash: splash10-0006-0964000000-2d0e0d7feb45bfc87962

m/z	Int.	NL	Rel.Int.
193.02	4766	176	1000
235.05	1813	134	380
351.23	1417	18	297
333.17	1192	36	250
215.03	1060	154	222
277.08	639	92	134
207.11	566	162	118
137.02	348	232	72
187.08	309	182	64
197.01	284	172	59
168.98	245	200	51
305.07	241	64	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Glycyrrhisoflavanone
0.095	[Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinin I
0.080	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Flavanone	Flowerine
0.063	[Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl))	Isoflavone	Glisoflavone
0.063	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Kwakhurin
0.048	[Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Isosophoronol
0.045	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	Pterocarpan	Edulenol
0.045	[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
0.040	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4'-O-Methylxanthohumol
0.033	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavonol	Noranhydroicaritin 4'-methyl ether
0.033	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Sophoflavescenol
0.033	[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	Isoanhydroicaritin
0.030	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Deoxypiscerythrone
0.030	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin B
0.030	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone
0.030	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	Gancaonin N
0.030	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Isoflavone	Barpisoflavone B
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

Level: 3, プリカーサーm/z: 193.02345

Splash: splash10-0006-9100000000-ef498fc0016a6793d3b2

m/z	Int.	NL	Rel.Int.
90.86	2904	102	1000
118.76	291	74	100
136.95	217	56	74

Level: 3, プリカーサーm/z: 235.04730

Splash: splash10-0006-9100000000-a42512a8d3c68b85f254

m/z	Int.	NL	Rel.Int.
90.91	1275	144	1000
118.89	182	116	142