ピーク情報

イチョウ　葉

pos

Peak #10789 MN MID: SE205_S01_M90

m/z: 533.34767, RT: 87.64, 強度: 167621, ログ強度: 1.68, 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: (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	0.737	(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	0.737	2beta,3beta-diacetoxy-15alpha,22R-dihydroxy-5alpha-cholest-7-en-6-one	LipidMAPS: LMST01010617
C31H48O7	532.34000	0.737	Quadrangularic acid G	KNApSAcK: C00046573, C00046870
C31H48O7	532.34000	0.737	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: 533.34735

Splash: splash10-014i-0000290000-9c9b7398c1297af33db7

m/z	Int.	NL	Rel.Int.
515.39	10560	18	1000
497.41	1470	36	139
441.40	860	92	81
459.38	729	74	69

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Isogemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Gemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyrottlerin
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2'',6''-O-diacetate
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe)	Flavone	6''-O-Acetylisoorientin 7,3',4'-trimethyl ether
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2'',6''-O-diacetate
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 515.45612

Splash: splash10-0002-0010900000-5ee542703a82d1282853

m/z	Int.	NL	Rel.Int.
497.40	1847	18	1000
423.49	756	92	409
441.50	598	74	323
459.45	467	56	252
405.43	338	110	183
387.36	179	128	96
271.25	130	244	70
227.23	114	288	61
289.22	107	226	57
265.23	99	250	53

Level: 3, プリカーサーm/z: 497.46588

Splash: splash10-05i3-0012900000-55df360ed0073d836ae0

m/z	Int.	NL	Rel.Int.
405.40	200	92	1000
423.42	157	74	782
479.50	149	18	744
441.30	148	56	738
271.33	72	226	358
387.34	65	110	325
335.26	33	162	165
307.30	27	190	134
323.28	25	174	124
407.43	20	90	97
411.22	20	86	97
461.50	17	36	82
358.33	15	139	75
383.48	13	114	66
291.20	13	206	64
275.28	13	222	62
315.15	12	182	57
311.52	11	186	53
237.19	11	260	53
181.07	10	316	51

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
	87.46	575.39480	42.0471	0.36	[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
	87.45	557.38434	24.0367	0.40	[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		3
10789	87.64	533.34767	0.0000	1.68	[M+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		2
	87.64	515.33725	-18.0104	1.55	[M-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	0.160	2

ピーク情報

DB検索結果

MSnスペクトル情報

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