ピーク情報

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pos

Peak #8364 MN MID: SE199_S31_M90

m/z: 531.40464, RT: 89.03, 強度: 38951, ログ強度: 1.04, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (43 names) DG(10:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0);DG(10:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0);DG(20:4(5Z,7E,11Z,14Z)-OH(9)/10:0/0:0);DG(10:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0);DG(10:0/0:0/20:3(5Z,11Z,14Z)-O(8,9));DG(10:0/2...

DBごとのヒット数: ALL 43 KG 1 HM 42

FlavonoidSearch最大スコア MS2: -, MS3: -

DB検索結果

ppm

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
C33H56O6	548.40769	0.428	DG(10:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0)	HMDB: HMDB0294405
C33H56O6	548.40769	0.428	DG(10:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0)	HMDB: HMDB0294409
C33H56O6	548.40769	0.428	DG(20:4(5Z,7E,11Z,14Z)-OH(9)/10:0/0:0)	HMDB: HMDB0294450
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0)	HMDB: HMDB0294441
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:3(5Z,11Z,14Z)-O(8,9))	HMDB: HMDB0294407, HMDB0294408
C33H56O6	548.40769	0.428	DG(10:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)	HMDB: HMDB0294397
C33H56O6	548.40769	0.428	DG(10:0/20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0)	HMDB: HMDB0294417
C33H56O6	548.40769	0.428	DG(10:0/20:3(5Z,8Z,14Z)-O(11S,12R)/0:0)	HMDB: HMDB0294401
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0)	HMDB: HMDB0294437
C33H56O6	548.40769	0.428	DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/10:0/0:0)	HMDB: HMDB0294446
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/10:0/0:0)	HMDB: HMDB0294438
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0)	HMDB: HMDB0294425
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,10E,14Z)-OH(12S)/10:0/0:0)	HMDB: HMDB0294442
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:3(8Z,11Z,14Z)-O(5,6))	HMDB: HMDB0294411, HMDB0294412
C33H56O6	548.40769	0.428	DG(20:3(8Z,11Z,14Z)-O(5,6)/10:0/0:0)	HMDB: HMDB0294410
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/10:0/0:0)	HMDB: HMDB0294414
C33H56O6	548.40769	0.428	DG(20:3(5Z,8Z,11Z)-O(14R,15S)/10:0/0:0)	HMDB: HMDB0294398
C33H56O6	548.40769	0.428	DG(20:3(5Z,11Z,14Z)-O(8,9)/10:0/0:0)	HMDB: HMDB0294406
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:0)	HMDB: HMDB0294449
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S))	HMDB: HMDB0294439, HMDB0294440
C33H56O6	548.40769	0.428	DG(10:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0)	HMDB: HMDB0294445
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0)	HMDB: HMDB0294433
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,10E,14Z)-OH(12S))	HMDB: HMDB0294443, HMDB0294444
C33H56O6	548.40769	0.428	DG(20:4(6E,8Z,11Z,14Z)-OH(5S)/10:0/0:0)	HMDB: HMDB0294418
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/10:0/0:0)	HMDB: HMDB0294422
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0)	HMDB: HMDB0294413
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))	HMDB: HMDB0294427, HMDB0294428
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))	HMDB: HMDB0294423, HMDB0294424
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/10:0/0:0)	HMDB: HMDB0294426
C33H56O6	548.40769	0.428	DG(20:3(5Z,8Z,14Z)-O(11S,12R)/10:0/0:0)	HMDB: HMDB0294402
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R))	HMDB: HMDB0294447, HMDB0294448
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R))	HMDB: HMDB0294435, HMDB0294436
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/10:0/0:0)	HMDB: HMDB0294434
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9))	HMDB: HMDB0294451, HMDB0294452
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0)	HMDB: HMDB0294421
C33H56O6	548.40769	0.428	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0)	HMDB: HMDB0294429
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(20))	HMDB: HMDB0294415, HMDB0294416
C33H56O6	548.40769	0.428	DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/10:0/0:0)	HMDB: HMDB0294430
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S))	HMDB: HMDB0294419, HMDB0294420
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))	HMDB: HMDB0294399, HMDB0294400
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(17))	HMDB: HMDB0294431, HMDB0294432
C33H56O6	548.40769	0.428	Cholesteryl-beta-D-glucoside	HMDB: HMDB0250186 KEGG: C03855 LipidMAPS: LMST01010173, LMST01010396, LMST05050029
C33H56O6	548.40769	0.428	DG(10:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R))	HMDB: HMDB0294403, HMDB0294404

MSnスペクトル情報

Level: 2, プリカーサーm/z: 531.40454

Splash: splash10-03di-0153590000-9c0a1d64f4fae6c1a23a

m/z	Int.	NL	Rel.Int.
513.49	8581	18	1000
253.21	4226	278	492
439.47	2358	92	274
335.30	2295	196	267
457.53	1456	74	169
161.15	874	370	101
475.39	819	56	95
317.27	782	214	91
261.27	770	270	89
421.39	668	110	77
179.11	456	352	53

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Neolinderatin
[Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(2,4-dihydroxyphenyl))	Flavanone	Eriosemaone C
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-(2'''-methylbutyrate)
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 3''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 253.20151

Splash: splash10-03di-2900000000-8b567a39f99760feba2d

m/z	Int.	NL	Rel.Int.
161.07	733	92	1000
179.12	300	74	409
95.02	203	158	276
105.07	159	148	216
133.07	137	120	187
119.09	131	134	178
80.96	102	172	139
135.15	78	118	106
111.00	76	142	103
90.86	72	162	97
234.90	61	18	82
199.03	41	54	55
120.93	39	132	53
79.02	37	174	50
96.74	37	156	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OMe)-B(none)	Flavone	7-Methoxyflavone
[Flavone]-A(1OMe)-B(none)	Flavone	6-Methoxyflavone
[2-substituted Isoflavone (2-Methyl)]-A(1OH)-B(none)	2-substituted Isoflavone	7-Hydroxy-2-methylisoflavone

Level: 3, プリカーサーm/z: 513.44983

Splash: splash10-059j-0121900000-ffadf5bb9d3296b261ad

m/z	Int.	NL	Rel.Int.
439.31	565	74	1000
421.40	408	92	721
457.34	282	56	498
495.48	267	18	472
477.61	230	36	406
299.18	138	214	243
317.41	103	196	181
187.12	96	326	170
157.10	89	356	156
253.33	84	260	148
281.32	78	232	138
309.30	76	204	134
359.24	76	154	133
261.24	70	252	123
173.12	67	340	119
381.31	66	132	116
185.31	66	328	116
459.48	65	54	114
449.39	63	64	111
227.18	60	286	105

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
	89.04	549.41525	18.0106	0.94	[M+H]+	(43 names) DG(10:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0); DG(10:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0); DG(20:4(5Z,7E,11Z,14Z)-OH(9)/10:0/0:0); DG(10:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0); DG(10:0/0:0/20:3(5Z,11Z,14Z)-O(8,9)); DG(10:0/2...	ALL 43 KG 1 HM 42	MS2 MS3			3
8364	89.03	531.40464	0.0000	1.04	[M-H2O+H]+	(43 names) DG(10:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0); DG(10:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0); DG(20:4(5Z,7E,11Z,14Z)-OH(9)/10:0/0:0); DG(10:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0); DG(10:0/0:0/20:3(5Z,11Z,14Z)-O(8,9)); DG(10:0/2...	ALL 43 KG 1 HM 42	MS2 MS3 x 2			2

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

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