ピーク情報

ミヤコグサ

pos

Peak #4244 MN MID: SE205_S07_M90

m/z: 521.16600, RT: 48.69, 強度: 35449, ログ強度: 1.05, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

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	1.245	5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside	FlavonoidViewer: FL3FF8GS0005 KNApSAcK: C00004450 LipidMAPS: LMPK12111294
C25H28O12	520.15808	1.245	Chryso-obtusin glucoside	KEGG: C10313 KNApSAcK: C00002805
C25H28O12	520.15808	1.245	6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside	FlavonoidViewer: FL3FEGGS0006 KNApSAcK: C00013726 LipidMAPS: LMPK12111265
C25H28O12	520.15808	1.245	Zosterin	FlavonoidViewer: FL1DAAGS0006 KNApSAcK: C00014632 LipidMAPS: LMPK12120521
C25H28O12	520.15808	1.245	Centapicrin	KNApSAcK: C00010797
C25H28O12	520.15808	1.245		LipidMAPS: LMPR0102070038
C25H28O12	520.15808	1.245	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside	FlavonoidViewer: FL5FDFGS0001 KNApSAcK: C00013940 LipidMAPS: LMPK12112765
C25H28O12	520.15808	1.245	Julichrome Q6 glucuronide	KNApSAcK: C00039501
C25H28O12	520.15808	1.245	Lethedoside B	FlavonoidViewer: FL3FCKGS0002 KNApSAcK: C00013720 LipidMAPS: LMPK12111066
C27H25O4N4SF	520.15805	1.287	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: 521.16595

Splash: splash10-0f89-0044930000-ceb1c4ca92cb96031b6f

m/z	Int.	NL	Rel.Int.
484.97	1038	36	1000
503.22	533	18	513
273.12	425	248	409
489.22	315	32	303
339.19	272	182	261
297.17	269	224	259
381.24	225	140	216
466.92	197	54	189
502.48	176	19	169
315.06	162	206	156
255.05	147	266	141
363.20	70	158	67
447.19	64	74	61

Level: 3, プリカーサーm/z: 484.97333

Splash: splash10-001i-0009000000-de87dfd1c0b9b675b7b5

m/z	Int.	NL	Rel.Int.
381.12	319	104	1000
363.31	66	122	207
339.00	44	146	137
467.01	34	18	106
335.02	27	150	83

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

Level: 3, プリカーサーm/z: 503.22253

Splash: splash10-0zgr-0078900000-9c974eb5e60219f57e5f

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

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
254.99	67	248	1000
485.26	48	18	717
381.11	37	122	558
459.32	26	44	393
379.16	25	124	379
297.12	24	206	353
441.07	18	62	272
355.24	18	148	266
471.26	16	32	245
341.00	14	162	209
439.03	14	64	204
238.92	14	264	202
311.13	13	192	191
484.63	11	19	162
353.21	9	150	129
256.98	7	246	109
363.12	6	140	92
191.13	6	312	90
203.15	6	300	88
330.33	6	173	82