ピーク情報

リーフレタスグリーン

pos

Peak #11962 MN MID: SE198_S12_M90

m/z: 330.26391, RT: 75.69, 強度: 7428, ログ強度: 0.00, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (44 names) 11-HpODE;7S,8S-Dihydroxylinoleic acid;9-Hydroxy-12-oxo-15(Z)-octadecenoic acid;15,16-DiHODE;13-hydroxy-10-oxo-11E-octadecenoic acid;8,13-dihydroxy-9,11-octadecadienoic acid;(9R,12R,13S)-12,13-Dihydrox...

DBごとのヒット数: ALL 43 KG 12 KN 1 HM 2 LM 28

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C18H32O4	312.23006	0.088	(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid	HMDB: HMDB0062281 KEGG: C07338 LipidMAPS: LMFA02000115
C18H32O4	312.23006	0.088	(7S,8S)-DiHODE	KEGG: C07354 KNApSAcK: C00000399 LipidMAPS: LMFA02000224
C18H32O4	312.23006	0.088	15,16-DiHODE	HMDB: HMDB0010208 LipidMAPS: LMFA02000047
C18H32O4	312.23006	0.088	9-Hydroxy-12-oxo-15(Z)-octadecenoic acid	KEGG: C21924
C18H32O4	312.23006	0.088	(Â±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid	HMDB: HMDB0040900 LipidMAPS: LMFA02000249
C18H32O4	312.23006	0.088	8,13-dihydroxy-9,11-octadecadienoic acid	LipidMAPS: LMFA02000166
C18H32O4	312.23006	0.088	(9R,12R,13S)-12,13-Dihydroxy-9,10-octadecadienoic acid	LipidMAPS: LMFA02000359
C18H32O4	312.23006	0.088	12-hydroperoxy-9Z,13E-octadecadienoic acid	LipidMAPS: LMFA02000102
C18H32O4	312.23006	0.088	18-Hydroperoxyoctadeca-2,4-dienoic acid	HMDB: HMDB0257631
C18H32O4	312.23006	0.088	10,13-dihydroxyoctadeca-9Z,12Z-dienoic acid	LipidMAPS: LMFA02000357
C18H32O4	312.23006	0.088	octadecenedioate	HMDB: HMDB0304442
C18H32O4	312.23006	0.088	9-oxo-13-hydroxy-11-octadecenoic acid	LipidMAPS: LMFA02000248
C18H32O4	312.23006	0.088	9(S)-HPODE	HMDB: HMDB0006940, HMDB0062434, HMDB0242602, [-1]HMDB0303982 KEGG: C14827 KNApSAcK: C00000393 LipidMAPS: LMFA02000012, LMFA02000100, LMFA02000402
C18H32O4	312.23006	0.088	9,14-dihydroxy-10,12-octadecadienoic acid	LipidMAPS: LMFA02000167
C18H32O4	312.23006	0.088	(+/-)-9,10-dihydroxy-6Z,12Z-octadecadienoic acid	LipidMAPS: LMFA02000049
C18H32O4	312.23006	0.088	9,10-DiHODE	HMDB: HMDB0010221 LipidMAPS: LMFA02000045
C18H32O4	312.23006	0.088	10,11-dihydroxyoctadeca-9E,12Z-dienoic acid	LipidMAPS: LMFA02000364
C18H32O4	312.23006	0.088	10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid	LipidMAPS: LMFA02000010
C18H32O4	312.23006	0.088	9,10-Epoxy-13-hydroxy-11-octadecenoate	KEGG: C14834 LipidMAPS: LMFA02000278
C18H32O4	312.23006	0.088	9-hydroxy-13-oxo-10-octadecenoic acid	LipidMAPS: LMFA02000172
C18H32O4	312.23006	0.088	5S,8R-DiHODE	KEGG: C20186 LipidMAPS: LMFA02000284
C18H32O4	312.23006	0.088	2-pentyl-4Z-tridecene-1,13-dioic acid	LipidMAPS: LMFA01170140
C18H32O4	312.23006	0.088	Dihydroxy-2-cyclopentene-1-tridecanoic acid	LipidMAPS: LMFA01140029
C18H32O4	312.23006	0.088	Hygrophorone A12	KNApSAcK: C00050789
C18H32O4	312.23006	0.088	9-hydroxy-10-oxo-12-octadecenoic acid	LipidMAPS: LMFA02000009, LMFA02000170
C18H32O4	312.23006	0.088	9-hydroxy-12-oxo-10-octadecenoic acid	LipidMAPS: LMFA02000171
C18H32O4	312.23006	0.088	13,16-Epoxy-12-hydroxy-9Z-octadecenoic acid	LipidMAPS: LMFA03000024
C18H32O4	312.23006	0.088	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid	HMDB: HMDB0003871, HMDB0062637 KEGG: C04717 KNApSAcK: C00000394 LipidMAPS: LMFA02000034, LMFA02000099, LMFA02000329
C18H32O4	312.23006	0.088	12,13-DiHODE	HMDB: HMDB0010201 LipidMAPS: LMFA02000046
C18H32O4	312.23006	0.088	8R,11S-dihydroxy-9Z,12Z-octadecadienoic acid	LipidMAPS: LMFA02000064
C18H32O4	312.23006	0.088	11-hydroxy-9,10-epoxy-(12Z)-octadecenoate	LipidMAPS: LMFA02000277, LMFA02000407
C18H32O4	312.23006	0.088	8(R)-HPODE	HMDB: HMDB0004706 KEGG: C14831 LipidMAPS: LMFA02000103, LMFA02000113
C18H32O4	312.23006	0.088	12,13-Epoxy-9-hydroxy-10-octadecenoate	KEGG: C14832 LipidMAPS: LMFA02000013, LMFA02000158
C18H32O4	312.23006	0.088	Octadec-9-ene-1,18-dioic-acid	KEGG: C19618 KNApSAcK: C00007585 LipidMAPS: LMFA01170055
C18H32O4	312.23006	0.088	2-(2Z-octenyl)-decane-1,10-dioic acid	LipidMAPS: LMFA01170141
C18H32O4	312.23006	0.088	12-oxo-13-hydroxy-9-octadecenoic acid	LipidMAPS: LMFA02000017, LMFA02000250
C18H32O4	312.23006	0.088	12,13-epoxy-11-hydroxy-9-octadecenoic acid	LipidMAPS: LMFA02000159, LMFA02000403
C18H32O4	312.23006	0.088	5S,18-Dihydroxyoctadeca-6E,8Z-dienoic acid	LipidMAPS: LMFA02000397
C18H32O4	312.23006	0.088	9,10-dioxo-octadecanoic acid	LipidMAPS: LMFA02000264
C18H32O4	312.23006	0.088	14-hydroperoxy-9,12-octadecadienoic acid	LipidMAPS: LMFA02000104
C18H32O4	312.23006	0.088	(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate	KEGG: C19937, C20703 LipidMAPS: LMFA02000101, LMFA02000285, LMFA02000286
C18H32O4	312.23006	0.088	9,10-12,13-Diepoxyoctadecanoate	KEGG: C14836
C18H32O4	312.23006	0.088	(+/-)-12,13-dihydroxy-6Z,9Z-octadecadienoic acid	LipidMAPS: LMFA02000050
C18H32O4	312.23006	0.088	(+/-)-6,7-dihydroxy-9Z,12Z-octadecadienoic acid	LipidMAPS: LMFA02000048

MSnスペクトル情報

Level: 2, プリカーサーm/z: 330.26382

Splash: splash10-0002-0090000000-58009adae875e24d503f

m/z	Int.	NL	Rel.Int.
295.13	5702	35	1000

Level: 3, プリカーサーm/z: 295.12201

Splash: splash10-004i-0090000000-b32200fca90cb2a0953c

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Auronol	Castillene A
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Pongamol
[Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	6-Methoxy-[2'',3'':7,8]furanoflavanone
[Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3-Methoxy-[2'',3'':7,8]furanoflavanone
[2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none)	2-substituted Isoflavone	Glyzarin
[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe)	Pterocarpan	9-O-Methylneodunol

ピーク情報

DB検索結果

MSnスペクトル情報

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