ピーク情報

シロイヌナズナ　地上部

pos

Peak #8843 MN MID: SE200_S1_M90

m/z: 529.35287, RT: 82.05, 強度: 18076, ログ強度: 0.67, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (7 names) Agosterol C7;(+)-Agosterol C7;Picracin;Pachanol C;(5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol;Heracleifolinol;Hovenidulcigenin B

DBごとのヒット数: ALL 6 KN 4 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.061

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
C32H50O7	546.35565	0.924	Agosterol C7	KNApSAcK: C00029652
C32H50O7	546.35565	0.924	Picracin	KNApSAcK: C00044429, C00046860
C32H50O7	546.35565	0.924	Pachanol C	KNApSAcK: C00050182
C32H50O7	546.35565	0.924	(5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol	LipidMAPS: LMST03020634, LMST03020635
C32H50O7	546.35565	0.924	25-hydroperoxy-7beta-acetoxy,3beta-hydroxy-9beta,19-cyclo-lanost-23E-en-28-oic acid	LipidMAPS: LMST01100053
C32H50O7	546.35565	0.924	Heracleifolinol	KNApSAcK: C00024081
C32H50O7	546.35565	0.924	Hovenidulcigenin B	HMDB: HMDB0041547

MSnスペクトル情報

Level: 2, プリカーサーm/z: 529.35211

Splash: splash10-03di-0000390000-0de3bfb93022d089a145

m/z	Int.	NL	Rel.Int.
511.40	4000	18	1000
419.40	510	110	127
437.37	476	92	118
455.38	390	74	97
501.45	327	28	81
493.42	323	36	80

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Neolinderachalcone
0.000	[Flavanone]-A(2OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Neolinderatone

Level: 3, プリカーサーm/z: 511.40399

Splash: splash10-066r-0000900000-57254e3712563d213734

m/z	Int.	NL	Rel.Int.
419.48	440	92	1000
455.41	244	56	555
437.45	164	74	374
493.54	158	18	360
401.44	77	110	174
409.33	64	102	146
323.31	48	188	109
475.41	47	36	107
457.54	47	54	105
427.49	30	84	67
311.18	25	200	57
351.29	25	160	55
391.35	24	120	55
449.47	23	62	51

Level: 3, プリカーサーm/z: 419.40222

Splash: splash10-0udi-0029800000-e4f28dcfd2821be5f4b1

m/z	Int.	NL	Rel.Int.
401.40	104	18	1000
391.10	30	28	291
317.37	13	102	123
402.47	9	17	91
371.62	9	48	91
307.35	9	112	85
247.33	9	172	84
377.72	8	42	77
373.33	8	46	74
193.20	8	226	72
349.15	7	70	66
263.52	7	156	62
335.35	6	84	62
375.31	6	44	59
321.46	6	98	58
219.37	6	200	55
365.53	6	54	55
345.18	5	74	52
289.56	5	130	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.040	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Gangetinin
0.029	[Flavonol]-A(4OMe)-B(2OMe)	Flavonol	Natsudaidain
0.000	[Flavone]-A(1OH, 2OMe)-B(4OMe)	Flavone	Agecorynin F
0.000	[Flavone]-A(3OMe)-B(1OH, 3OMe)	Flavone	Agecorynin G
0.000	[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone
0.000	[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Gardenin A
0.000	[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Agehoustin E
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH)	2'-Hydroxychalcone	3'-C-Glucosylisoliquiritigenin
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH)	2'-Hydroxychalcone	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe)	2'-Hydroxychalcone	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe)	Dihydrochalcone	Calomelanol A
0.000	[Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH)	Flavanone	8-C-beta-D-Galactosylliquiritigenin
0.000	[Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agecorynin B
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH)	Flavone	6-C-Xylosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	8-C-alpha-L-Arabinosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	6-C-alpha-L-Arabinosylluteolin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomorusin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomorusin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe)	Flavonol	5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe)	Flavonol	4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	Grantioidinin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone
0.000	[CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin	Rosacyanin B
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone D
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin C
0.000	[Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Scandinone
0.000	[Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducarpin
0.000	[Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumaranochromon	Millettin