ピーク情報

イヌカタヒバ

pos

Peak #10067 MN MID: SE205_S02_M90

m/z: 515.37365, RT: 89.84, 強度: 93930, ログ強度: 1.45, 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: (12 names) 5beta,6beta-Epoxygorgostan-3beta,7alpha,11alpha,12beta-tetrol 11-acetate;5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate;Alisol A 24-acetate;Rubianol d;(+)-Rubianol d;5beta,6...

DBごとのヒット数: ALL 10 KN 5 HM 1 LM 4

FlavonoidSearch最大スコア MS2: -, MS3: 0.042

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
C32H52O6	532.37639	1.036	5beta,6beta-Epoxygorgostan-3beta,7alpha,11alpha,12beta-tetrol 11-acetate	LipidMAPS: LMST01060018
C32H52O6	532.37639	1.036	Alisol A 24-acetate	HMDB: HMDB0260413
C32H52O6	532.37639	1.036	5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate	LipidMAPS: LMST01060025
C32H52O6	532.37639	1.036	Rubianol d	KNApSAcK: C00031237
C32H52O6	532.37639	1.036	5beta,6beta-epoxygorgostane-3beta,7alpha,11alpha,12beta-tetrol 12-acetate	LipidMAPS: LMST01060026
C32H52O6	532.37639	1.036	5beta,6beta-Epoxygorgostan-1alpha,3beta,11alpha,12beta-tetrol 11-acetate	LipidMAPS: LMST01060019
C32H52O6	532.37639	1.036	Alisol E 23-acetate	KNApSAcK: C00033625
C32H52O6	532.37639	1.036	Fomitopinic acid B	KNApSAcK: C00042515
C32H52O6	532.37639	1.036	FD 892	KNApSAcK: C00016690
C32H52O6	532.37639	1.036	Oogoniol 2	KNApSAcK: C00023818

MSnスペクトル情報

Level: 2, プリカーサーm/z: 515.37299

Splash: splash10-03di-0020900000-1045d4a477fb89264692

m/z	Int.	NL	Rel.Int.
411.39	4369	104	1000
253.27	1025	262	234
497.41	435	18	99
251.21	309	264	70

Level: 3, プリカーサーm/z: 411.38971

Splash: splash10-0udi-0091000000-b638fd9f4cb4bacd7ca1

m/z	Int.	NL	Rel.Int.
253.16	1217	158	1000
254.25	361	157	296
393.38	246	18	202
185.09	63	226	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Toxicarolisoflavone
0.036	[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: 253.27235

Splash: splash10-052b-0910000000-a9eca5eec98210883a12

m/z	Int.	NL	Rel.Int.
197.10	114	56	1000
157.16	52	96	455
147.05	36	106	315
211.19	32	42	280
149.14	31	104	268
109.03	29	144	255
159.05	24	94	206
142.90	23	110	201
224.29	20	29	178
171.02	19	82	166
155.05	16	98	142
133.20	14	120	123
185.19	13	68	114
182.95	13	70	110
225.23	7	28	62
121.01	7	132	61
135.00	6	118	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

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
	89.85	556.40032	41.0267	0.85	[M+ACN-H2O+H]+	(12 names) 5beta,6beta-Epoxygorgostan-3beta,7alpha,11alpha,12beta-tetrol 11-acetate; 5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate; Alisol A 24-acetate; Rubianol d; (+)-Rubianol d; 5beta,6...	ALL 10 KN 5 HM 1 LM 4			1
	89.86	533.38398	18.0103	2.49	[M+H]+	(12 names) 5beta,6beta-Epoxygorgostan-3beta,7alpha,11alpha,12beta-tetrol 11-acetate; 5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate; Alisol A 24-acetate; Rubianol d; (+)-Rubianol d; 5beta,6...	ALL 10 KN 5 HM 1 LM 4	MS2 MS3		4
10067	89.84	515.37365	0.0000	1.45	[M-H2O+H]+	(12 names) 5beta,6beta-Epoxygorgostan-3beta,7alpha,11alpha,12beta-tetrol 11-acetate; 5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate; Alisol A 24-acetate; Rubianol d; (+)-Rubianol d; 5beta,6...	ALL 10 KN 5 HM 1 LM 4	MS2 MS3 x 2	0.042	2