ピーク情報

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pos

Peak #7726 MN MID: SE199_S41_M90

m/z: 531.40452, RT: 88.98, 強度: 56711, ログ強度: 1.16, 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	0.224	DG(10:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0)	HMDB: HMDB0294405
C33H56O6	548.40769	0.224	DG(10:0/20:3(8Z,11Z,14Z)-O(5,6)/0:0)	HMDB: HMDB0294409
C33H56O6	548.40769	0.224	DG(20:4(5Z,7E,11Z,14Z)-OH(9)/10:0/0:0)	HMDB: HMDB0294450
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0)	HMDB: HMDB0294441
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:3(5Z,11Z,14Z)-O(8,9))	HMDB: HMDB0294407, HMDB0294408
C33H56O6	548.40769	0.224	DG(10:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)	HMDB: HMDB0294397
C33H56O6	548.40769	0.224	DG(10:0/20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0)	HMDB: HMDB0294417
C33H56O6	548.40769	0.224	DG(10:0/20:3(5Z,8Z,14Z)-O(11S,12R)/0:0)	HMDB: HMDB0294401
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0)	HMDB: HMDB0294437
C33H56O6	548.40769	0.224	DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/10:0/0:0)	HMDB: HMDB0294446
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/10:0/0:0)	HMDB: HMDB0294438
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0)	HMDB: HMDB0294425
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,10E,14Z)-OH(12S)/10:0/0:0)	HMDB: HMDB0294442
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:3(8Z,11Z,14Z)-O(5,6))	HMDB: HMDB0294411, HMDB0294412
C33H56O6	548.40769	0.224	DG(20:3(8Z,11Z,14Z)-O(5,6)/10:0/0:0)	HMDB: HMDB0294410
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/10:0/0:0)	HMDB: HMDB0294414
C33H56O6	548.40769	0.224	DG(20:3(5Z,8Z,11Z)-O(14R,15S)/10:0/0:0)	HMDB: HMDB0294398
C33H56O6	548.40769	0.224	DG(20:3(5Z,11Z,14Z)-O(8,9)/10:0/0:0)	HMDB: HMDB0294406
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,7E,11Z,14Z)-OH(9)/0:0)	HMDB: HMDB0294449
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S))	HMDB: HMDB0294439, HMDB0294440
C33H56O6	548.40769	0.224	DG(10:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0)	HMDB: HMDB0294445
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0)	HMDB: HMDB0294433
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,10E,14Z)-OH(12S))	HMDB: HMDB0294443, HMDB0294444
C33H56O6	548.40769	0.224	DG(20:4(6E,8Z,11Z,14Z)-OH(5S)/10:0/0:0)	HMDB: HMDB0294418
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/10:0/0:0)	HMDB: HMDB0294422
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0)	HMDB: HMDB0294413
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(18R))	HMDB: HMDB0294427, HMDB0294428
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S))	HMDB: HMDB0294423, HMDB0294424
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/10:0/0:0)	HMDB: HMDB0294426
C33H56O6	548.40769	0.224	DG(20:3(5Z,8Z,14Z)-O(11S,12R)/10:0/0:0)	HMDB: HMDB0294402
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R))	HMDB: HMDB0294447, HMDB0294448
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R))	HMDB: HMDB0294435, HMDB0294436
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/10:0/0:0)	HMDB: HMDB0294434
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9))	HMDB: HMDB0294451, HMDB0294452
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0)	HMDB: HMDB0294421
C33H56O6	548.40769	0.224	DG(10:0/20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0)	HMDB: HMDB0294429
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(20))	HMDB: HMDB0294415, HMDB0294416
C33H56O6	548.40769	0.224	DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/10:0/0:0)	HMDB: HMDB0294430
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S))	HMDB: HMDB0294419, HMDB0294420
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))	HMDB: HMDB0294399, HMDB0294400
C33H56O6	548.40769	0.224	DG(10:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(17))	HMDB: HMDB0294431, HMDB0294432
C33H56O6	548.40769	0.224	Cholesteryl-beta-D-glucoside	HMDB: HMDB0250186 KEGG: C03855 LipidMAPS: LMST01010173, LMST01010396, LMST05050029
C33H56O6	548.40769	0.224	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: 531.40460

Splash: splash10-0iki-0053690000-606c8b0a02986d34daf7

m/z	Int.	NL	Rel.Int.
513.45	10088	18	1000
253.23	5356	278	530
335.29	3111	196	308
439.40	3074	92	304
457.50	1696	74	168
421.49	1516	110	150
317.29	1262	214	125
261.28	875	270	86
475.45	624	56	61
161.14	565	370	56

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: 253.16704

Splash: splash10-03di-2900000000-8a1ea9b2f853f7802638

m/z	Int.	NL	Rel.Int.
161.09	534	92	1000
179.13	176	74	330
133.04	149	120	278
118.97	144	134	269
105.01	133	148	249
80.90	85	172	159
95.00	82	158	153
96.96	81	156	151
90.77	80	162	149
93.09	37	160	68
121.06	31	132	58

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: 513.46204

Splash: splash10-059i-0023900000-89beb2523b125b15910b

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

m/z	Int.	NL	Rel.Int.
439.53	404	74	1000
421.38	308	92	762
457.50	278	56	689
495.60	194	18	481
335.42	88	178	218
281.36	84	232	207
317.21	83	196	205
477.60	81	36	199
261.32	71	252	177
223.21	66	290	162
327.26	64	186	158
237.23	62	276	153
309.40	58	204	144
215.22	58	298	144
323.34	57	190	141
459.65	57	54	140
197.05	49	316	120
341.39	49	172	120
175.10	49	338	120
393.50	48	120	119

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
	88.98	549.41507	18.0105	0.99	[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
7726	88.98	531.40452	0.0000	1.16	[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