ピーク情報

シロイヌナズナ　地上部

pos

Peak #11245 MN MID: SE200_S1_M90

m/z: 547.36383, RT: 93.06, 強度: 215378, ログ強度: 1.71, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

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	1.638	Agosterol C7	KNApSAcK: C00029652
C32H50O7	546.35565	1.638	Picracin	KNApSAcK: C00044429, C00046860
C32H50O7	546.35565	1.638	Pachanol C	KNApSAcK: C00050182
C32H50O7	546.35565	1.638	(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	1.638	25-hydroperoxy-7beta-acetoxy,3beta-hydroxy-9beta,19-cyclo-lanost-23E-en-28-oic acid	LipidMAPS: LMST01100053
C32H50O7	546.35565	1.638	Heracleifolinol	KNApSAcK: C00024081
C32H50O7	546.35565	1.638	Hovenidulcigenin B	HMDB: HMDB0041547

MSnスペクトル情報

Level: 2, プリカーサーm/z: 547.36365

Splash: splash10-004i-0000090000-3cc1dbedd06e477f472e

m/z	Int.	NL	Rel.Int.
529.40	25662	18	1000
511.44	7430	36	289

Level: 3, プリカーサーm/z: 529.39703

Splash: splash10-03di-0000980000-1f85b69737638e05c2ab

m/z	Int.	NL	Rel.Int.
511.46	5648	18	1000
419.41	1169	110	206
455.42	1164	74	206
437.41	898	92	159
431.41	573	98	101
473.45	546	56	96
401.38	543	128	96
493.42	483	36	85
413.34	340	116	60

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: 511.44403

Splash: splash10-07dx-0002900000-211351255015922d6849

m/z	Int.	NL	Rel.Int.
493.44	690	18	1000
419.44	517	92	749
437.45	386	74	559
401.35	323	110	469
329.35	274	182	397
413.39	250	98	361
409.54	215	102	311
455.45	203	56	293
475.47	187	36	270
311.37	122	200	177
391.17	95	120	137
307.36	90	204	130
182.98	83	328	120
427.64	73	84	106
331.33	68	180	97
235.24	62	276	90
363.15	60	148	87
195.03	58	316	84
361.34	54	150	77
399.40	53	112	76

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
	93.06	588.39053	41.0267	0.56	[M+ACN+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			1
11245	93.06	547.36383	0.0000	1.71	[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 MS3 x 2		2
	93.05	529.35362	-18.0102	1.49	[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 x 2	0.028	2
	93.06	511.34311	-36.0207	0.33	[M-2(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			1

ピーク情報

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MSnスペクトル情報

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