ピーク情報

シロイヌナズナ　地上部

pos

Peak #11239 MN MID: SE200_S1_M90

m/z: 529.35362, RT: 93.05, 強度: 130202, ログ強度: 1.49, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2

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: 0.028

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	2.291	Agosterol C7	KNApSAcK: C00029652
C32H50O7	546.35565	2.291	Picracin	KNApSAcK: C00044429, C00046860
C32H50O7	546.35565	2.291	Pachanol C	KNApSAcK: C00050182
C32H50O7	546.35565	2.291	(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	2.291	25-hydroperoxy-7beta-acetoxy,3beta-hydroxy-9beta,19-cyclo-lanost-23E-en-28-oic acid	LipidMAPS: LMST01100053
C32H50O7	546.35565	2.291	Heracleifolinol	KNApSAcK: C00024081
C32H50O7	546.35565	2.291	Hovenidulcigenin B	HMDB: HMDB0041547

MSnスペクトル情報

Level: 2, プリカーサーm/z: 529.35309

Splash: splash10-03di-0000490000-be6a69a04a44ede36002

m/z	Int.	NL	Rel.Int.
511.38	25718	18	1000
419.35	4628	110	179
437.36	4357	92	169
455.43	2848	74	110
493.52	2197	36	85
501.45	1294	28	50

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: 511.41132

Splash: splash10-0673-0001900000-1d421bf50ca7d983d6fe

m/z	Int.	NL	Rel.Int.
419.47	2544	92	1000
437.39	2502	74	983
493.47	2165	18	851
455.44	1852	56	727
401.43	706	110	277
413.43	586	98	230
329.39	361	182	141
483.41	343	28	134
391.38	338	120	132
475.45	301	36	118
313.32	272	198	106
223.15	267	288	105
279.30	258	232	101
399.34	236	112	92
457.39	224	54	88
321.32	196	190	77
213.31	193	298	75
339.17	182	172	71
327.28	179	184	70
293.32	161	218	63

Level: 3, プリカーサーm/z: 419.49768

Splash: splash10-0udi-0189800000-240b004623520ca51156

m/z	Int.	NL	Rel.Int.
401.50	910	18	1000
391.41	174	28	190
221.18	168	198	184
321.20	158	98	174
236.91	138	183	151
323.40	118	96	129
363.24	112	56	122
275.14	99	144	108
281.17	97	138	106
265.21	95	154	104
337.14	91	82	100
277.21	91	142	99
293.44	89	126	97
319.38	82	100	90
235.31	78	184	85
333.22	76	86	83
169.20	75	250	82
307.25	75	112	82
145.06	68	274	74
303.34	68	116	74

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.038	[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

ピーク情報

DB検索結果

MSnスペクトル情報

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