ピーク情報

ミヤコグサ

pos

Peak #5122 MN MID: SE205_S07_M90

m/z: 503.15514, RT: 54.30, 強度: 30395, ログ強度: 0.99, アダクト: [M-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: (14 names) Chryso-obtusin glucoside;5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside;6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside;Cent...

DBごとのヒット数: ALL 10 KG 1 KN 7 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, 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
C25H28O12	520.15808	0.671	5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside	FlavonoidViewer: FL3FF8GS0005 KNApSAcK: C00004450 LipidMAPS: LMPK12111294
C25H28O12	520.15808	0.671	Chryso-obtusin glucoside	KEGG: C10313 KNApSAcK: C00002805
C25H28O12	520.15808	0.671	6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside	FlavonoidViewer: FL3FEGGS0006 KNApSAcK: C00013726 LipidMAPS: LMPK12111265
C25H28O12	520.15808	0.671	Zosterin	FlavonoidViewer: FL1DAAGS0006 KNApSAcK: C00014632 LipidMAPS: LMPK12120521
C25H28O12	520.15808	0.671	Centapicrin	KNApSAcK: C00010797
C25H28O12	520.15808	0.671		LipidMAPS: LMPR0102070038
C25H28O12	520.15808	0.671	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside	FlavonoidViewer: FL5FDFGS0001 KNApSAcK: C00013940 LipidMAPS: LMPK12112765
C25H28O12	520.15808	0.671	Julichrome Q6 glucuronide	KNApSAcK: C00039501
C25H28O12	520.15808	0.671	Lethedoside B	FlavonoidViewer: FL3FCKGS0002 KNApSAcK: C00013720 LipidMAPS: LMPK12111066
C27H25O4N4SF	520.15805	0.713	Ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate	HMDB: HMDB0252984

MSnスペクトル情報

Level: 2, プリカーサーm/z: 503.15515

Splash: splash10-000j-0056900000-7a2e84c9034a200aa81a

m/z	Int.	NL	Rel.Int.
485.02	3908	18	1000
297.11	2832	206	724
381.18	1460	122	373
467.15	1010	36	258
285.12	718	218	183
441.07	632	62	161
353.24	586	150	149
363.09	584	140	149
339.17	470	164	120
367.20	452	136	115
399.11	320	104	81

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Demethoxyisogemichalcone C
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloheterophyllin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano))))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonin N
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin F
[CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone	Artonin M
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonin O
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumaranochromon	Euchretin A

Level: 3, プリカーサーm/z: 297.08752

Splash: splash10-000b-0900000000-cf2199c85035c222ee75

m/z	Int.	NL	Rel.Int.
146.93	231	150	1000
137.00	196	160	849
151.04	39	146	166
172.92	15	124	63
163.12	13	134	55

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(1OMe)-B(1OMe)	Coumestan	Coumestrol dimethyl ether
[Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milleyanaflavone
[Flavone]-A(2OMe, 1Methyl)-B(none)	Flavone	5,7-Dimethoxy-6-C-methylflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavone	Desmosflavone
[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Unonal
[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Isounonal
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-6,7-methylenedioxyflavone
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-7,8-methylenedioxyflavone
[UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone]-A(1OH, 3Methyl)-B(none)	UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone	Dasytrichone
[Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Maximaisoflavone H
[Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Anhydropisatin
[Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy))	Coumestan	Medicagol

Level: 3, プリカーサーm/z: 485.01324

Splash: splash10-001i-0009300000-06d997eeddf1ded8c32b

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(2OH, 1OMe, 1(2x2-hydroxybenzyl))-B(none)	Dihydrochalcone	Angoluvarin
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Dihydrochalcone	Diuvaretin
[Flavanone]-A(1OH, 1(1(O-Cinnamoyl)-2,2-Dimethyl-3-hydroxytetrahydro-4-furanyl))-B(none)	Flavanone	Tephrorin B

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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m/z	Int.	NL	Rel.Int.
381.19	123	104	1000
363.21	50	122	405
467.14	36	18	295
335.11	32	150	256
441.16	32	44	256
349.18	23	136	184
449.19	13	36	104
422.82	12	62	93
466.44	9	19	73
399.35	8	86	68
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395.19	8	90	61
219.04	7	266	58
439.50	7	46	58
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353.20	7	132	54