ピーク情報

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Peak #9472 MN MID: SE205_S02_M90

m/z: 539.32209, RT: 84.64, 強度: 222335, ログ強度: 1.82, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (4 names) Integristerone A 25-acetate;22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one;25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one;Sa...

DBごとのヒット数: ALL 4 KN 2 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

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
C29H46O9	538.31418	1.180	Integristerone A 25-acetate	KNApSAcK: C00045323 LipidMAPS: LMST01010587
C29H46O9	538.31418	1.180	22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010424
C29H46O9	538.31418	1.180	25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010428
C30H42O5N4	538.31552	-1.304	Sanjoinine G2	KNApSAcK: C00028962

MSnスペクトル情報

Level: 2, プリカーサーm/z: 539.32233

Splash: splash10-0udi-0002910000-ced9475516d86d9a0beb

m/z	Int.	NL	Rel.Int.
403.14	20026	136	1000
377.15	4817	162	240
404.20	4774	135	238
387.21	2016	152	100
539.20	1862	0	92
521.20	1562	18	78
497.12	1082	42	54
378.10	1040	161	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH, 1OMe)	Dihydroflavonol	Kenusanone C
0.000	[Flavan]-A(1OH, 1OMe, 1(1(O-Benzoyl)-2,4,6-Trihydroxy-3-methylstyryl))-B(none)	Flavan	8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol

Level: 3, プリカーサーm/z: 403.13397

Splash: splash10-052b-0009100000-d1951c16ddde62837d91

m/z	Int.	NL	Rel.Int.
347.12	6474	56	1000
359.12	4661	44	719
375.13	3037	28	469
403.13	1941	-0	299
348.22	1310	55	202
360.17	931	43	143
376.27	585	27	90
361.16	435	42	67

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone B
0.188	[Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	Paraibanol
0.083	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',5',6'-Hexamethoxyflavone
0.083	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,8,3',4',5'-Hexamethoxyflavone
0.083	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',4',6'-Hexamethoxyflavone
0.083	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,7,3',4',5'-Hexamethoxyflavone
0.083	[Flavone]-A(3OMe)-B(3OMe)	Flavone	Bannamurpanisin
0.083	[Flavone]-A(4OMe)-B(2OMe)	Flavone	Nobiletin
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	2'-Hydroxychalcone	8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe)	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone K
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none)	Flavanone	Calomelanol I
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	Flavanone	Calomelanol H
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH)	Flavone	Cerarvensin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomollupentin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Mollupentin
0.000	[Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl))	Dihydroflavonol	Pinobanksin 3-O-cinnamate
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	Myricetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	3,5,7,2',4',5'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Gossypetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OMe)	Flavonol	3,5,6,7,8,4'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Demethylmelibentin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin D
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Inophyllum E
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Tomentolide A

Level: 3, プリカーサーm/z: 377.14142

Splash: splash10-004i-0009000000-1d91c920f54d84903d68

m/z	Int.	NL	Rel.Int.
377.15	3430	-0	1000
378.06	205	-1	59

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 2(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone A
[2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none)	2'-Hydroxychalcone	Spinochalcone A
[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
[Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavanone	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
[Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Limocitrol
[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone
[Flavonol]-A(1OH, 3OMe)-B(2OH)	Flavonol	3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Hibiscetin 8,3',5'-trimethyl ether
[Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Pterocarpan	2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan
[Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Flavanone	5-O-Methylchamanetin
[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl))	Dihydroflavonol	Pinobanksin 3-O-benzoate
[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate
[Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Dihydroflavonol	Plumbaginol
[Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe)	Flavonol	5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Apuleisin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,7,4'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,8,4'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone
[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone C
[Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydromillettone

関連ピーク情報

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	FS3	共有数
	84.37	570.36498	31.0429	0.91	[M+CH5N+H]+	(4 names) Sanjoinine G2; Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest...	ALL 4 KN 2 LM 2			1
	84.39	561.30448	21.9824	1.12	[M+Na]+	(4 names) Sanjoinine G2; Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest...	ALL 4 KN 2 LM 2			1
	84.56	556.34929	17.0272	1.16	[M+C2H7N+H]+, [M+ACN+H]+, [M+NH4]+	(4 names) 16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene; methyl 9S,hydroxy-11R,15S,18-triacetoxy-5Z,13E-prostadienoate; 1-(3Z,6Z,9Z,12Z,15Z-octadecapentaenoyl)-3-O-beta-D-galactosyl-sn-glycerol; meth...	ALL 4 KN 1 LM 3	MS2		1
9472	84.64	539.32209	0.0000	1.82	[M+H]+	(4 names) Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one; Sa...	ALL 4 KN 2 LM 2	MS2 MS3 x 2	0.250	1
	84.35	521.31157	-18.0105	2.54	[M-H2O+H]+	(4 names) Sanjoinine G2; Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest...	ALL 4 KN 2 LM 2	MS2 MS3		1
	84.32	503.30095	-36.0211	1.04	[M-2(H2O)+H]+	(4 names) Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one; Sa...	ALL 4 KN 2 LM 2	MS2		1