ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #4555 MN MID: SE199_S21_M90

m/z: 356.27961, RT: 76.27, 強度: 6702, ログ強度: 0.43, アダクト: [M+ACN+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (30 names) 3-Acetoxy-hexadecanoic acid;8-hydroperoxy-6E-octadecenoic acid;7-hydroperoxy-5E-octadecenoic acid;12R-hydroperoxy-13E-octadecenoic acid;12,13-DHOME;9-Hydroxy-10-oxooctadecanoic acid;12-hydroperoxy10E-...

DBごとのヒット数: ALL 30 KG 5 HM 1 LM 24

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
C18H34O4	314.24571	0.225	3-Acetoxy-hexadecanoic acid	LipidMAPS: LMFA01050550
C18H34O4	314.24571	0.225	8-hydroperoxy-6E-octadecenoic acid	LipidMAPS: LMFA02000079
C18H34O4	314.24571	0.225	7-hydroperoxy-5E-octadecenoic acid	LipidMAPS: LMFA02000078
C18H34O4	314.24571	0.225	12R-hydroperoxy-13E-octadecenoic acid	LipidMAPS: LMFA02000070, LMFA02000071, LMFA02000074, LMFA02000075
C18H34O4	314.24571	0.225	12,13-DHOME	HMDB: HMDB0004705 KEGG: C14829 LipidMAPS: LMFA02000164, LMFA02000230, LMFA02000302
C18H34O4	314.24571	0.225	9-Hydroxy-10-oxooctadecanoic acid	LipidMAPS: LMFA01060213
C18H34O4	314.24571	0.225	12-hydroperoxy10E-octadecenoic acid	LipidMAPS: LMFA02000082
C18H34O4	314.24571	0.225	8-hydroperoxy-9Z-octadecenoic acid	LipidMAPS: LMFA02000061, LMFA02000118
C18H34O4	314.24571	0.225	Dibutyl decanedioate	HMDB: HMDB0041220
C18H34O4	314.24571	0.225	8R,11S-dihydroxy-9Z-octadecenoic acid	LipidMAPS: LMFA02000063
C18H34O4	314.24571	0.225	7,10-dihydroxy-8E-octadecenoic acid	LipidMAPS: LMFA02000060, LMFA02000327
C18H34O4	314.24571	0.225	Octadecendioic acid	HMDB: HMDB0000782, [-2]HMDB0302976 LipidMAPS: LMFA01170029
C18H34O4	314.24571	0.225	6-hydroperoxy-7E-octadecenoic acid	LipidMAPS: LMFA02000097
C18H34O4	314.24571	0.225	11-hydroxy-12,13-epoxy-octadecanoic acid	LipidMAPS: LMFA02000385
C18H34O4	314.24571	0.225	9,10-Epoxy-18-hydroxystearate	HMDB: HMDB0061650, HMDB0302107 KEGG: C19620 KNApSAcK: C00034432 LipidMAPS: LMFA02000003, LMFA02000004
C18H34O4	314.24571	0.225	10-Hydroxy-9-oxooctadecanoic acid	LipidMAPS: LMFA01050538
C18H34O4	314.24571	0.225	9,13-dihydroxy-11-octadecenoic acid	LipidMAPS: LMFA02000163
C18H34O4	314.24571	0.225	9-hydroperoxy-7E-octadecenoic acid	LipidMAPS: LMFA02000080
C18H34O4	314.24571	0.225	13R-hydroperoxy-11E-octadecenoic acid	LipidMAPS: LMFA02000068, LMFA02000069
C18H34O4	314.24571	0.225	2-oxo-3-hydroxyoctadecanoic acid	LipidMAPS: LMFA01060209
C18H34O4	314.24571	0.225	11-hydroperoxy-12Z-octadecenoic acid	LipidMAPS: LMFA02000067, LMFA02000116
C18H34O4	314.24571	0.225	11-hydroperoxy9Z-octadecenoic acid	LipidMAPS: LMFA02000081
C18H34O4	314.24571	0.225	10R-hydroperoxy-11Z-octadecenoic acid	LipidMAPS: LMFA02000076
C18H34O4	314.24571	0.225	(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid	KEGG: C07355 LipidMAPS: LMFA01050451, LMFA02000225
C18H34O4	314.24571	0.225	(8E,10S)-10-Hydroperoxyoctadeca-8-enoate	KEGG: C20702 LipidMAPS: LMFA02000059, LMFA02000119
C18H34O4	314.24571	0.225	5S,8R-dihydroxy-9Z-octadecenoic acid	LipidMAPS: LMFA02000062
C18H34O4	314.24571	0.225	14R-hydroperoxy-12E-octadecenoic acid	LipidMAPS: LMFA02000072, LMFA02000073
C18H34O4	314.24571	0.225	9-hydroperoxy-10E-octadecenoic acid	LipidMAPS: LMFA02000117
C18H34O4	314.24571	0.225	9,13-dihydroxy-10-octadecenoic acid	LipidMAPS: LMFA02000162
C18H34O4	314.24571	0.225	9,10-DHOME	HMDB: HMDB0004704 KEGG: C14828 LipidMAPS: LMFA02000161, LMFA02000229

MSnスペクトル情報

Level: 2, プリカーサーm/z: 356.27814

Splash: splash10-03dj-0797000000-a2b5fe6b53d50f4485c4

m/z	Int.	NL	Rel.Int.
314.32	1186	42	1000
296.31	1033	60	870
338.26	834	18	703
261.21	702	95	591
279.35	577	77	486
243.29	338	113	284
161.15	333	195	281
147.07	223	209	188
320.17	195	36	164
154.21	174	202	146
179.09	163	177	137
109.04	156	247	131
135.14	154	221	129
123.09	151	233	127
121.13	150	235	126
173.12	121	183	102
187.16	120	169	101
133.05	111	223	93
145.12	109	211	92
137.13	108	219	90

Level: 3, プリカーサーm/z: 314.31689

Splash: splash10-0002-0090000000-91a2a3184595d858e0ba

m/z	Int.	NL	Rel.Int.
296.28	768	18	1000
278.40	45	36	58

Level: 3, プリカーサーm/z: 296.31335

Splash: splash10-004i-0790000000-18174aeff6cbf749442f

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.
278.36	128	18	1000
158.22	48	138	374
154.19	19	142	144
212.07	17	84	135
121.13	12	175	93
123.14	10	173	81
133.31	10	163	80
143.99	9	152	72
93.05	9	203	68
147.14	9	149	66
279.30	8	17	64
163.04	8	133	61
243.24	7	53	57
145.16	7	151	52
177.18	6	119	50

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
4555	76.27	356.27961	0.0000	0.43	[M+ACN+H]+	(30 names) 3-Acetoxy-hexadecanoic acid; 8-hydroperoxy-6E-octadecenoic acid; 7-hydroperoxy-5E-octadecenoic acid; 12R-hydroperoxy-13E-octadecenoic acid; 12,13-DHOME; 9-Hydroxy-10-oxooctadecanoic acid; 12-hydroperoxy10E-...	ALL 30 KG 5 HM 1 LM 24	MS2 MS3 x 2			2
	76.27	315.25309	-41.0265	0.66	[M+H]+	(30 names) 3-Acetoxy-hexadecanoic acid; 8-hydroperoxy-6E-octadecenoic acid; 7-hydroperoxy-5E-octadecenoic acid; 12R-hydroperoxy-13E-octadecenoic acid; 12,13-DHOME; 9-Hydroxy-10-oxooctadecanoic acid; 12-hydroperoxy10E-...	ALL 30 KG 5 HM 1 LM 24	MS2 MS3	0.100		2