ピーク情報

イネ　玄米　コシヒカリ

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Peak #5147 MN MID: SE199_S11_M91

m/z: 561.32787, RT: 86.95, 強度: 781328, ログ強度: 2.50, アダクト: [M-H2O-H]-, [M+CH3OH-H]-, [M+HCOOH-H]-, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (3 names) Lanceolitol B4;Lanceolitol B3;alpha,alpha'-Trehalose 6-palmitate

DBごとのヒット数: ALL 3 KG 1 KN 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
C28H52O12	580.34588	-0.288	Lanceolitol B4	KNApSAcK: C00042671
C28H52O12	580.34588	-0.288	Lanceolitol B3	KNApSAcK: C00042670
C28H52O12	580.34588	-0.288	2-O-(6-O-hexadecanoyl)-alpha-D-glucopyranosyl)-beta-D-fructofuranose	LipidMAPS: LMSL05000015
C28H52O12	580.34588	-0.288	alpha,alpha'-Trehalose 6-palmitate	KEGG: C04265
C28H52O12	580.34588	-0.288		LipidMAPS: LMSL05000014

Level: 2, プリカーサーm/z: 561.32758

Splash: splash10-016r-0060090000-e2d6ebf1b09cb15c08e5

m/z	Int.	NL	Rel.Int.
515.23	35631	46	1000
279.27	23105	282	648
253.11	2380	308	66

Level: 3, プリカーサーm/z: 515.14838

Splash: splash10-004i-0090000000-b6b0ea25eef4983845a9

m/z	Int.	NL	Rel.Int.
279.27	5793	236	1000
253.17	359	262	62

Level: 3, プリカーサーm/z: 279.27405

Splash: splash10-03di-0090000000-ac217e535d8f27afaf58

m/z	Int.	NL	Rel.Int.
261.30	320	18	1000
259.14	24	20	75

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	共有数
	86.93	629.31647	67.9886	-0.01	[M+CF3COOH-H]-	(2 names) 1-(9Z,12Z-octadecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol	ALL 2 LM 2		2
5147	86.95	561.32787	0.0000	2.50	[M-H2O-H]-, [M+CH3OH-H]-, [M+HCOOH-H]-	(3 names) Lanceolitol B4; Lanceolitol B3; alpha,alpha'-Trehalose 6-palmitate	ALL 3 KG 1 KN 2	MS2 MS3 x 2	9
	86.95	551.29957	-10.0283	1.43	[M+HCl-H]-	(2 names) 1-(9Z,12Z-octadecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol	ALL 2 LM 2		5
	87.08	529.30211	-32.0258	1.93	[M-H]-	(9 names) L-Oleandrosyl-oleandolide; Crenulatoside A; (-)-Crenulatoside A; (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]; Kukoamine D; Diheteropeptin; Kukoamine A; Kukoamine B; Kukoamine C	ALL 8 KG 5 KN 2 HM 1	MS2 MS3 x 2	4
	86.92	515.32312	-46.0048	0.98	[M-H]-	(2 names) 1-(9Z,12Z-octadecadienoyl)-3-O-beta-D-galactosyl-sn-glycerol; 27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol	ALL 2 LM 2		6