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Peak #10085 MN MID: SE205_S02_M90

m/z: 411.32586, RT: 89.86, 強度: 184422, ログ強度: 1.74, 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: (35 names) Stoloniferone E;(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol;1-Keto-24-methylcalcifediol;(7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol;(5Z,7E)-(1S,3S)-1-hydroxym...

DBごとのヒット数: ALL 30 KG 2 KN 10 HM 2 LM 16

FlavonoidSearch最大スコア MS2: 0.080, MS3: -

DB検索結果

ppm

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
C28H44O3	428.32905	0.249	(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol	HMDB: HMDB0039602
C28H44O3	428.32905	0.249	Stoloniferone E	KNApSAcK: C00046431 LipidMAPS: LMST01031093
C28H44O3	428.32905	0.249	1-Keto-24-methylcalcifediol	HMDB: HMDB0243913 LipidMAPS: LMST03060003
C28H44O3	428.32905	0.249	9,10-seco-1,3,5(10),24(28)-ergostatetraen-3,8beta,9alpha-triol	LipidMAPS: LMST03010074
C28H44O3	428.32905	0.249	(7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol	LipidMAPS: LMST03010036, LMST03010037
C28H44O3	428.32905	0.249	(5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol	LipidMAPS: LMST03020578, LMST03020579
C28H44O3	428.32905	0.249	3,5-Dihydroxyergosta-7,22-dien-6-one	HMDB: HMDB0031953 LipidMAPS: LMST01031190
C28H44O3	428.32905	0.249	5alpha,8alpha-epidioxy-24-methyl-cholesta-6,24(28)-dien-3beta-ol	LipidMAPS: LMST01031273
C28H44O3	428.32905	0.249	Griffinisterone A	KNApSAcK: C00048720, C00048721
C28H44O3	428.32905	0.249	3beta,4beta-dihydroxyergosta-24(28)-en-23-one	LipidMAPS: LMST01031162
C28H44O3	428.32905	0.249	(24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol	HMDB: HMDB0242655 LipidMAPS: LMST03010048, LMST03010049
C28H44O3	428.32905	0.249	Ercalcitriol	HMDB: HMDB0006225, HMDB0242362 LipidMAPS: LMST03010032, LMST03010033, LMST03010040, LMST03010041, LMST03010042, LMST03010043, LMST03010044, LMST03010045, LMST03010046, LMST03010047
C28H44O3	428.32905	0.249	Nandrolone decanoate	HMDB: HMDB0015694, HMDB0250911 KEGG: C08154
C28H44O3	428.32905	0.249	Griffinisterone G	KNApSAcK: C00048726
C28H44O3	428.32905	0.249	(5Z,7E,22E)-(3S-9,10-seco-5,7,10(19),22-ergostatetraene-3,4,25-triol	LipidMAPS: LMST03010079
C28H44O3	428.32905	0.249	Calendulasterolide	KNApSAcK: C00054986
C28H44O3	428.32905	0.249	(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol	HMDB: HMDB0032108
C28H44O3	428.32905	0.249	24R-methyl-ergosta-5,7,22E-trien-1,3beta,25-triol	LipidMAPS: LMST03030003
C28H44O3	428.32905	0.249	Methyl 3beta-hydroxy-cholest-5,22E-dien-19-oate	LipidMAPS: LMST01010337
C28H44O3	428.32905	0.249	5alpha,9alpha-epoxy-ergosta-7,22E-dien-3beta,6beta-diol	LipidMAPS: LMST01031304, LMST01031305
C28H44O3	428.32905	0.249	(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,26-triol	LipidMAPS: LMST03010050
C28H44O3	428.32905	0.249	Tylopiol B	KNApSAcK: C00047117
C28H44O3	428.32905	0.249	(5Z,7E,22E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol	LipidMAPS: LMST03020322
C28H44O3	428.32905	0.249	(5Z,7E,22E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol	LipidMAPS: LMST03020320, LMST03020323, LMST03020324
C28H44O3	428.32905	0.249	Gibberoketosterol C	KNApSAcK: C00041544
C28H44O3	428.32905	0.249	4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol	HMDB: HMDB0062385, [-1]HMDB0304192 KEGG: C22112 LipidMAPS: LMST01010152, LMST01010522
C28H44O3	428.32905	0.249	Topsentisterol B5	HMDB: HMDB0032863 KNApSAcK: C00041929
C28H44O3	428.32905	0.249	11alpha-hydroxy-5beta,6beta-epoxy-ergost-2-en-1-one	LipidMAPS: LMST01031073
C28H44O3	428.32905	0.249	Topsentisterol B4	HMDB: HMDB0034541 KNApSAcK: C00041928 LipidMAPS: LMST01031268
C28H44O3	428.32905	0.249	5alpha,8alpha-Epidioxyergosta-6,22-dien-3beta-ol	HMDB: HMDB0037941 KNApSAcK: C00030200 LipidMAPS: LMST01031175, LMST01031274
C28H44O3	428.32905	0.249	1,24(S)-Dihydroxyvitamin D2	HMDB: HMDB0244149 LipidMAPS: LMST03010062
C28H44O3	428.32905	0.249	(7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol	LipidMAPS: LMST03010038, LMST03010039
C28H44O3	428.32905	0.249	(5Z,7E)-(1S,3R)-18-methylidene-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol	LipidMAPS: LMST03020321
C28H44O3	428.32905	0.249	Variecoacetal B	KNApSAcK: C00033465

MSnスペクトル情報

Level: 2, プリカーサーm/z: 411.32568

Splash: splash10-0udi-0091000000-ab6bf520088b7afcbda7

m/z	Int.	NL	Rel.Int.
253.18	169740	158	1000
254.17	76374	157	449
393.42	42610	18	251
251.17	10572	160	62
365.33	9230	46	54
159.10	8867	252	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.080	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Toxicarolisoflavone
0.069	[Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe)	Isoflavone	Prebarbigerone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Catechin 3-O-p-hydroxybenzoate
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Pongapinone A
0.000	[Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl)	Dihydrochalcone	2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl))	Dihydrochalcone	4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydrochalcone alpha-ol	Kanzonol Y
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Dihydroflavonol	Gericudranin C
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Dihydroflavonol	Gericudranin B
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Flavonol	Velloquercetin 3,3',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 3,5,3'-trimethyl ether
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy))	Isoflavone	Preferrugone
0.000	[Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Pre-5-methoxydurmillone
0.000	[Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	Rotenone	Amorphigenin
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Rotenone	Sumatrol
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Toxicarol
0.000	[6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	6-Hydroxyrotenone	2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	Tephrosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrodalpanol

Level: 3, プリカーサーm/z: 254.22220

Splash: splash10-000i-0190000000-65e22a545558c84f9f05

m/z	Int.	NL	Rel.Int.
239.21	27145	15	1000
197.20	3658	57	134
226.22	3491	28	128
159.12	1779	95	65
225.19	1623	29	59

Level: 3, プリカーサーm/z: 253.19812

Splash: splash10-0595-0920000000-e007a057ef460841e543

m/z	Int.	NL	Rel.Int.
143.06	12137	110	1000
197.15	10386	56	855
171.10	9053	82	745
159.05	6176	94	508
156.97	6140	96	505
211.13	4632	42	381
238.23	4158	15	342
183.04	3807	70	313
225.17	3760	28	309
145.10	3704	108	305
185.21	2749	68	226
224.19	1977	29	162
147.08	1579	106	130
135.10	1114	118	91
173.13	1046	80	86
131.11	946	122	77
169.11	939	84	77
107.03	793	146	65
132.96	710	120	58
155.12	651	98	53

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OMe)-B(none)	Flavone	7-Methoxyflavone
[Flavone]-A(1OMe)-B(none)	Flavone	6-Methoxyflavone
[2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none)	2-substituted Isoflavone	7-Hydroxy-2-methylisoflavone

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	共有数
	89.85	452.35268	41.0268	0.16	[M+ACN-H2O+H]+	(35 names) Stoloniferone E; (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol; 1-Keto-24-methylcalcifediol; (7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol; (5Z,7E)-(1S,3S)-1-hydroxym...	ALL 30 KG 2 KN 10 HM 2 LM 16			1
	89.83	429.33649	18.0106	1.37	[M+H]+	(35 names) Stoloniferone E; (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol; 1-Keto-24-methylcalcifediol; (7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol; (5Z,7E)-(1S,3S)-1-hydroxym...	ALL 30 KG 2 KN 10 HM 2 LM 16	MS2		1
10085	89.86	411.32586	0.0000	1.74	[M-H2O+H]+	(35 names) Stoloniferone E; (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol; 1-Keto-24-methylcalcifediol; (7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol; (5Z,7E)-(1S,3S)-1-hydroxym...	ALL 30 KG 2 KN 10 HM 2 LM 16	MS2 MS3 x 2	0.080	1

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

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