ピーク情報

イネ　玄米　ニッポンバレ

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Peak #4707 MN MID: SE199_S21_M91

m/z: 313.23839, RT: 78.95, 強度: 129996, ログ強度: 1.74, アダクト: [M-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	-0.136	3-Acetoxy-hexadecanoic acid	LipidMAPS: LMFA01050550
C18H34O4	314.24571	-0.136	8-hydroperoxy-6E-octadecenoic acid	LipidMAPS: LMFA02000079
C18H34O4	314.24571	-0.136	7-hydroperoxy-5E-octadecenoic acid	LipidMAPS: LMFA02000078
C18H34O4	314.24571	-0.136	12R-hydroperoxy-13E-octadecenoic acid	LipidMAPS: LMFA02000070, LMFA02000071, LMFA02000074, LMFA02000075
C18H34O4	314.24571	-0.136	12,13-DHOME	HMDB: HMDB0004705 KEGG: C14829 LipidMAPS: LMFA02000164, LMFA02000230, LMFA02000302
C18H34O4	314.24571	-0.136	9-Hydroxy-10-oxooctadecanoic acid	LipidMAPS: LMFA01060213
C18H34O4	314.24571	-0.136	12-hydroperoxy10E-octadecenoic acid	LipidMAPS: LMFA02000082
C18H34O4	314.24571	-0.136	8-hydroperoxy-9Z-octadecenoic acid	LipidMAPS: LMFA02000061, LMFA02000118
C18H34O4	314.24571	-0.136	Dibutyl decanedioate	HMDB: HMDB0041220
C18H34O4	314.24571	-0.136	8R,11S-dihydroxy-9Z-octadecenoic acid	LipidMAPS: LMFA02000063
C18H34O4	314.24571	-0.136	7,10-dihydroxy-8E-octadecenoic acid	LipidMAPS: LMFA02000060, LMFA02000327
C18H34O4	314.24571	-0.136	Octadecendioic acid	HMDB: HMDB0000782, [-2]HMDB0302976 LipidMAPS: LMFA01170029
C18H34O4	314.24571	-0.136	6-hydroperoxy-7E-octadecenoic acid	LipidMAPS: LMFA02000097
C18H34O4	314.24571	-0.136	11-hydroxy-12,13-epoxy-octadecanoic acid	LipidMAPS: LMFA02000385
C18H34O4	314.24571	-0.136	9,10-Epoxy-18-hydroxystearate	HMDB: HMDB0061650, HMDB0302107 KEGG: C19620 KNApSAcK: C00034432 LipidMAPS: LMFA02000003, LMFA02000004
C18H34O4	314.24571	-0.136	10-Hydroxy-9-oxooctadecanoic acid	LipidMAPS: LMFA01050538
C18H34O4	314.24571	-0.136	9,13-dihydroxy-11-octadecenoic acid	LipidMAPS: LMFA02000163
C18H34O4	314.24571	-0.136	9-hydroperoxy-7E-octadecenoic acid	LipidMAPS: LMFA02000080
C18H34O4	314.24571	-0.136	13R-hydroperoxy-11E-octadecenoic acid	LipidMAPS: LMFA02000068, LMFA02000069
C18H34O4	314.24571	-0.136	2-oxo-3-hydroxyoctadecanoic acid	LipidMAPS: LMFA01060209
C18H34O4	314.24571	-0.136	11-hydroperoxy-12Z-octadecenoic acid	LipidMAPS: LMFA02000067, LMFA02000116
C18H34O4	314.24571	-0.136	11-hydroperoxy9Z-octadecenoic acid	LipidMAPS: LMFA02000081
C18H34O4	314.24571	-0.136	10R-hydroperoxy-11Z-octadecenoic acid	LipidMAPS: LMFA02000076
C18H34O4	314.24571	-0.136	(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid	KEGG: C07355 LipidMAPS: LMFA01050451, LMFA02000225
C18H34O4	314.24571	-0.136	(8E,10S)-10-Hydroperoxyoctadeca-8-enoate	KEGG: C20702 LipidMAPS: LMFA02000059, LMFA02000119
C18H34O4	314.24571	-0.136	5S,8R-dihydroxy-9Z-octadecenoic acid	LipidMAPS: LMFA02000062
C18H34O4	314.24571	-0.136	14R-hydroperoxy-12E-octadecenoic acid	LipidMAPS: LMFA02000072, LMFA02000073
C18H34O4	314.24571	-0.136	9-hydroperoxy-10E-octadecenoic acid	LipidMAPS: LMFA02000117
C18H34O4	314.24571	-0.136	9,13-dihydroxy-10-octadecenoic acid	LipidMAPS: LMFA02000162
C18H34O4	314.24571	-0.136	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: 313.23807

Splash: splash10-0udi-0190000000-b2c485adfca941dc5df3

m/z	Int.	NL	Rel.Int.
201.14	62069	112	1000
295.26	32644	18	525
277.31	21213	36	341
171.13	15368	142	247
202.15	6365	111	102
296.31	6154	17	99
278.28	4467	35	71

Level: 3, プリカーサーm/z: 295.23621

Splash: splash10-00b9-0690000000-8775c6ec849ee03cda06

m/z	Int.	NL	Rel.Int.
277.24	7460	18	1000
171.05	5874	124	787
251.25	391	44	52

Level: 3, プリカーサーm/z: 201.11505

Splash: splash10-0690-0900000000-7a57214675e42dc1b961

m/z	Int.	NL	Rel.Int.
165.10	4047	36	1000
155.10	2897	46	715
125.08	1441	76	355
127.09	1192	74	294
183.14	1185	18	292
171.07	1179	30	291
139.09	751	62	185
153.02	550	48	135
157.05	525	44	129
137.11	524	64	129
181.11	232	20	57

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

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
	78.96	359.24393	46.0055	0.04	[M+HCOOH-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	2
	78.95	349.21513	35.9767	0.21	[M+HCl-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	2
4707	78.95	313.23839	0.0000	1.74	[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 x 2	2