ピーク情報

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Peak #12786 MN MID: SE205_S02_M91

m/z: 545.38523, RT: 92.58, 強度: 144505, ログ強度: 1.70, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (23 names) Trioctyl trimellitate;DG(10:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0);DG(10:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0);DG(10:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0);DG(10:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0);DG(10:0/0:0/...

DBごとのヒット数: ALL 23 KN 1 HM 21 LM 1

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
C33H54O6	546.39204	0.861	Trioctyl trimellitate	HMDB: HMDB0259250
C33H54O6	546.39204	0.861	DG(10:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)	HMDB: HMDB0294497
C33H54O6	546.39204	0.861	DG(10:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0)	HMDB: HMDB0294537
C33H54O6	546.39204	0.861	DG(10:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)	HMDB: HMDB0294533
C33H54O6	546.39204	0.861	DG(10:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0)	HMDB: HMDB0294501
C33H54O6	546.39204	0.861	DG(10:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))	HMDB: HMDB0294527, HMDB0294528
C33H54O6	546.39204	0.861	DG(10:0/0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))	HMDB: HMDB0294535, HMDB0294536
C33H54O6	546.39204	0.861	DG(10:0/0:0/20:4(6E,8Z,11Z,14Z)+=O(5))	HMDB: HMDB0294499, HMDB0294500
C33H54O6	546.39204	0.861	DG(10:0/0:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))	HMDB: HMDB0294539, HMDB0294540
C33H54O6	546.39204	0.861	3,5,6-Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid	HMDB: HMDB0257576
C33H54O6	546.39204	0.861	Oogoniol 1	KNApSAcK: C00023817
C33H54O6	546.39204	0.861	DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/10:0/0:0)	HMDB: HMDB0294530
C33H54O6	546.39204	0.861	DG(20:4(6E,8Z,11Z,14Z)+=O(5)/10:0/0:0)	HMDB: HMDB0294498
C33H54O6	546.39204	0.861	DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/10:0/0:0)	HMDB: HMDB0294526
C33H54O6	546.39204	0.861	DG(10:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0)	HMDB: HMDB0294525
C33H54O6	546.39204	0.861	DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/10:0/0:0)	HMDB: HMDB0294538
C33H54O6	546.39204	0.861	DG(20:4(5Z,8Z,11Z,13E)+=O(15)/10:0/0:0)	HMDB: HMDB0294502
C33H54O6	546.39204	0.861	DG(10:0/0:0/20:4(5Z,8Z,11Z,13E)+=O(15))	HMDB: HMDB0294503, HMDB0294504
C33H54O6	546.39204	0.861	DG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/10:0/0:0)	HMDB: HMDB0294534
C33H54O6	546.39204	0.861	cholest-5,24-dien-3beta-yl beta-D-glucopyranoside	LipidMAPS: LMST01010348
C33H54O6	546.39204	0.861	DG(10:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))	HMDB: HMDB0294531, HMDB0294532
C33H54O6	546.39204	0.861	DG(10:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0)	HMDB: HMDB0294529
C33H54O6	546.39204	0.861	1-O,4-O-Bis[(2S)-2-ethylhexyl] 2-O-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate	HMDB: HMDB0246163

MSnスペクトル情報

Level: 2, プリカーサーm/z: 545.38489

Splash: splash10-0006-0000900000-4dc96a30d88f388d2f2c

m/z	Int.	NL	Rel.Int.
441.41	35752	104	1000
442.50	3935	103	110
501.34	2106	44	58

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