ピーク情報

はつか大根　葉

pos

Peak #10341 MN MID: SE202_S21_M90

m/z: 529.35315, RT: 92.77, 強度: 6662, ログ強度: 0.37, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3

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: -

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	1.434	Agosterol C7	KNApSAcK: C00029652
C32H50O7	546.35565	1.434	Picracin	KNApSAcK: C00044429, C00046860
C32H50O7	546.35565	1.434	Pachanol C	KNApSAcK: C00050182
C32H50O7	546.35565	1.434	(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	1.434	25-hydroperoxy-7beta-acetoxy,3beta-hydroxy-9beta,19-cyclo-lanost-23E-en-28-oic acid	LipidMAPS: LMST01100053
C32H50O7	546.35565	1.434	Heracleifolinol	KNApSAcK: C00024081
C32H50O7	546.35565	1.434	Hovenidulcigenin B	HMDB: HMDB0041547

MSnスペクトル情報

Level: 2, プリカーサーm/z: 529.35291

Splash: splash10-03di-0000690000-373c1df98cd5724491aa

m/z	Int.	NL	Rel.Int.
511.44	2226	18	1000
419.38	465	110	209
437.42	434	92	195
455.50	280	74	125
493.47	219	36	98
401.42	173	128	77
409.40	131	120	58
311.36	130	218	58
501.49	111	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: 511.49139

Splash: splash10-05mo-0001900000-f039cc07c2b483d65439

m/z	Int.	NL	Rel.Int.
493.49	74	18	1000
419.38	73	92	992
437.51	42	74	566
455.48	39	56	528
413.43	29	98	389
409.35	17	102	226
329.37	14	182	192
307.31	13	204	171
391.50	11	120	143
183.15	9	328	127
436.89	8	75	115
427.57	8	84	114
385.72	8	126	112
401.38	8	110	108
209.03	8	302	102
475.74	8	36	102
483.32	7	28	94
403.36	7	108	92
381.25	7	130	91
383.67	7	128	88

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
	92.78	547.36372	18.0106	0.51	[M+H]+	(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	ALL 6 KN 4 HM 1 LM 1	MS2			3
10341	92.77	529.35315	0.0000	0.37	[M-H2O+H]+	(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	ALL 6 KN 4 HM 1 LM 1	MS2 MS3			3

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