ピーク情報

イネ　玄米　ニッポンバレ

neg

Peak #5062 MN MID: SE199_S21_M91

m/z: 561.32827, RT: 86.94, 強度: 984390, ログ強度: 2.62, アダクト: [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: (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

DBごとのヒット数: ALL 8 KG 5 KN 2 HM 1

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
C27H46O10	530.30910	0.449	L-Oleandrosyl-oleandolide	KEGG: C11992 LipidMAPS: LMPK04000033
C27H46O10	530.30910	0.449	Crenulatoside A	KNApSAcK: C00035282
C27H46O10	530.30910	0.449	(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	HMDB: HMDB0040844
C28H42O6N4	530.31044	-2.073	Kukoamine D	HMDB: HMDB0060527 KEGG: C17618
C28H42O6N4	530.31044	-2.073	Diheteropeptin	KNApSAcK: C00016415
C28H42O6N4	530.31044	-2.073	Kukoamine A	HMDB: HMDB0030392 KEGG: C17615 KNApSAcK: C00028433
C28H42O6N4	530.31044	-2.073	Kukoamine B	HMDB: HMDB0060525 KEGG: C17616 KNApSAcK: C00054015
C28H42O6N4	530.31044	-2.073	Kukoamine C	HMDB: HMDB0060526 KEGG: C17617

MSnスペクトル情報

Level: 2, プリカーサーm/z: 561.32770

Splash: splash10-016r-0060090000-c4d1035610ba261fd487

m/z	Int.	NL	Rel.Int.
515.15	35172	46	1000
279.28	24597	282	699
253.16	2739	308	77

Level: 3, プリカーサーm/z: 515.14276

Splash: splash10-004i-0090000000-41f2451bb5562e445fcb

m/z	Int.	NL	Rel.Int.
279.26	7344	236	1000
253.18	539	262	73

Level: 3, プリカーサーm/z: 279.28345

Splash: splash10-03di-0090000000-21df832951687155a356

m/z	Int.	NL	Rel.Int.
261.31	500	18	1000

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	共有数
5062	86.94	561.32827	0.0000	2.62	[M+CH3OH-H]-, [M+HCOOH-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	9
	86.90	551.29967	-10.0286	1.60	[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
	87.00	529.30206	-32.0262	1.87	[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
	86.90	515.32335	-46.0049	1.06	[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

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