ピーク情報

イチョウ　葉

pos

Peak #10776 MN MID: SE205_S01_M90

m/z: 543.36851, RT: 87.48, 強度: 42421, ログ強度: 1.08, アダクト: [M+2(CH3OH)-3(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: 0.028

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	0.928	(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	0.928	2beta,3beta-diacetoxy-15alpha,22R-dihydroxy-5alpha-cholest-7-en-6-one	LipidMAPS: LMST01010617
C31H48O7	532.34000	0.928	Quadrangularic acid G	KNApSAcK: C00046573, C00046870
C31H48O7	532.34000	0.928	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: 543.36725

Splash: splash10-004i-0090010000-83d52122b66277a8f364

m/z	Int.	NL	Rel.Int.
275.21	6665	268	1000
525.41	1233	18	185
293.17	876	250	131
247.25	635	296	95
257.24	583	286	87

Level: 3, プリカーサーm/z: 275.21014

Splash: splash10-052b-0790000000-7c2c4b47d0bc7fdef023

m/z	Int.	NL	Rel.Int.
247.16	723	28	1000
257.26	588	18	812
229.23	353	46	488
159.13	239	116	329
147.03	218	128	301
173.08	187	102	258
145.08	175	130	241
239.22	158	36	218
215.16	125	60	172
133.12	125	142	172
183.00	118	92	162
149.00	115	126	159
104.94	115	170	158
197.04	104	78	143
174.97	94	100	130
161.08	86	114	118
95.07	84	180	116
201.19	83	74	114
187.15	78	88	108
119.05	78	156	108

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.042	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

Level: 3, プリカーサーm/z: 525.40717

Splash: splash10-0gc0-0011900000-a8f463b9683196a515b4

m/z	Int.	NL	Rel.Int.
451.44	139	74	1000
433.51	119	92	855
469.49	79	56	569
415.38	48	110	346
507.54	48	18	342
423.47	42	102	304
315.46	20	210	142
291.43	20	234	139
247.28	19	278	133
309.31	17	216	123
275.43	17	250	123
489.76	17	36	121
219.14	16	306	116
387.43	16	138	113
235.21	16	290	112
311.20	15	214	109
390.51	15	135	108
479.62	13	46	95
224.61	13	301	90
335.39	12	190	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
	87.46	575.39480	32.0263	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
10776	87.48	543.36851	0.0000	1.08	[M+2(CH3OH)-3(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		0.028	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

FlavonoidSearch結果

関連ピーク情報