ピーク情報

イチョウ　葉

pos

Peak #10657 MN MID: SE205_S01_M90

m/z: 557.38423, RT: 86.86, 強度: 8650, ログ強度: 0.39, アダクト: [M+3(CH3OH)-4(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: (4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate;Quadrangularic acid G;(+)-Quadrangularic acid G;3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...

DBごとのヒット数: ALL 3 KN 1 LM 2

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
C31H48O7	532.34000	1.053	(5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate	LipidMAPS: LMST03020492
C31H48O7	532.34000	1.053	2beta,3beta-diacetoxy-15alpha,22R-dihydroxy-5alpha-cholest-7-en-6-one	LipidMAPS: LMST01010617
C31H48O7	532.34000	1.053	Quadrangularic acid G	KNApSAcK: C00046573, C00046870
C31H48O7	532.34000	1.053	3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxylic acid methyl ester	LipidMAPS: LMPR0106180021

MSnスペクトル情報

Level: 2, プリカーサーm/z: 557.38306

Splash: splash10-000i-0010490000-22093d5e3ff926227f44

m/z	Int.	NL	Rel.Int.
539.43	5581	18	1000
465.47	1161	92	208
223.13	1139	334	204
483.41	872	74	156
447.37	710	110	127
521.65	441	36	78
329.33	331	228	59
429.45	331	128	59
529.54	305	28	54
311.22	284	246	50

Level: 3, プリカーサーm/z: 539.43378

Splash: splash10-01c1-0001920000-065bbe5dad6df2952fcc

m/z	Int.	NL	Rel.Int.
483.45	507	56	1000
465.44	429	74	844
447.35	372	92	733
521.57	355	18	699
429.38	143	110	282
503.50	84	36	166
313.34	82	226	161
419.42	70	120	137
367.25	55	172	107
437.40	45	102	88
353.38	43	186	85
485.44	41	54	80
339.39	39	200	76
211.26	38	328	75
363.61	38	176	74
323.41	38	216	74
481.44	37	58	73
369.45	36	170	71
403.40	35	136	68
349.36	34	190	67

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: 465.46936

Splash: splash10-0002-0013900000-edcf4b6cff2289748b22

m/z	Int.	NL	Rel.Int.
447.48	254	18	1000
339.36	55	126	217
429.39	53	36	206
437.43	50	28	194
309.56	25	156	96
195.04	23	270	91
353.47	23	112	90
255.28	23	210	90
421.59	22	44	87
419.31	19	46	76
275.14	17	190	65
325.36	16	140	63
317.36	16	148	63
319.41	15	146	58
211.17	15	254	57
436.47	14	29	56

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Flavone]-A(2OH, 1(C-Glu))-B(3OH)	Flavone	Isoaffinetin
0.100	[Flavone]-A(2OH, 1(C-Glu))-B(3OH)	Flavone	Tricetin 8-C-glucopyranoside
0.100	[Flavone]-A(2OH, 1(C-Glu))-B(3OH)	Flavone	6-C-beta-D-Glucopyranosylisoetin
0.100	[Flavonol]-A(2OH, 1(C-Glu))-B(2OH)	Flavonol	6-C-Glucosylquercetin
0.000	[Flavanone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavanone	Dihydroscoparin
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Dihydroflavonol	Keyakinol
0.000	[Flavonol]-A(2OH, 1(C-Glu))-B(2OH)	Flavonol	8-C-Glucosylquercetin
0.000	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b4

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
	86.84	575.39476	18.0105	0.28	[M+3(CH3OH)-3(H2O)+H]+, [M+IsoProp-H2O+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2				2
10657	86.86	557.38423	0.0000	0.39	[M+3(CH3OH)-4(H2O)+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2	MS2 MS3 x 2			3

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MSnスペクトル情報

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