ピーク情報

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pos

Peak #10531 MN MID: SE205_S02_M90

m/z: 547.39984, RT: 92.56, 強度: 170512, ログ強度: 1.71, アダクト: [M+CH3OH-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: -

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	0.981	5beta,6beta-Epoxygorgostan-3beta,7alpha,11alpha,12beta-tetrol 11-acetate	LipidMAPS: LMST01060018
C32H52O6	532.37639	0.981	Alisol A 24-acetate	HMDB: HMDB0260413
C32H52O6	532.37639	0.981	5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate	LipidMAPS: LMST01060025
C32H52O6	532.37639	0.981	Rubianol d	KNApSAcK: C00031237
C32H52O6	532.37639	0.981	5beta,6beta-epoxygorgostane-3beta,7alpha,11alpha,12beta-tetrol 12-acetate	LipidMAPS: LMST01060026
C32H52O6	532.37639	0.981	5beta,6beta-Epoxygorgostan-1alpha,3beta,11alpha,12beta-tetrol 11-acetate	LipidMAPS: LMST01060019
C32H52O6	532.37639	0.981	Alisol E 23-acetate	KNApSAcK: C00033625
C32H52O6	532.37639	0.981	Fomitopinic acid B	KNApSAcK: C00042515
C32H52O6	532.37639	0.981	FD 892	KNApSAcK: C00016690
C32H52O6	532.37639	0.981	Oogoniol 2	KNApSAcK: C00023818

MSnスペクトル情報

Level: 2, プリカーサーm/z: 547.39911

Splash: splash10-004i-0001090000-ce2813b58a1be71724d0

m/z	Int.	NL	Rel.Int.
529.32	1633	18	1000
359.28	193	188	118
455.28	88	92	53
437.37	85	110	51

Level: 3, プリカーサーm/z: 529.31891

Splash: splash10-0a4i-0009500000-e82e75d5d61bdeaf4854

m/z	Int.	NL	Rel.Int.
359.30	370	170	1000
473.66	123	56	331
437.51	68	92	182
419.51	47	110	127
455.29	43	74	117
303.30	31	226	83
511.52	26	18	69
302.28	22	227	59

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

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	FS2	FS3	共有数
10531	92.56	547.39984	0.0000	1.71	[M+CH3OH-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			2
	92.56	529.38953	-18.0103	0.81	[M+CH3OH-2(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			4

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報