ピーク情報

リーフレタスグリーン

pos

Peak #12173 MN MID: SE198_S12_M90

m/z: 293.21129, RT: 86.96, 強度: 4871, ログ強度: 0.19, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide;7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid;Colnelenic acid;Ketochabrolic acid;17beta-Hydroxy-2-oxa-5alpha-androstan-3-one;Methyl [6]-paradol;13S-hydroxy-6Z,9Z,...

DBごとのヒット数: ALL 27 KG 8 KN 5 LM 14

FlavonoidSearch最大スコア MS2: -, MS3: 0.050

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
C18H28O3	292.20384	0.592	12,13-epoxy-10E,15Z-octadecadien-9-olide	LipidMAPS: LMFA07040153
C18H28O3	292.20384	0.592	7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid	LipidMAPS: LMFA01031262
C18H28O3	292.20384	0.592	Colnelenic acid	HMDB: HMDB0030996 KEGG: C16320 KNApSAcK: C00000448 LipidMAPS: LMFA10000002, LMFA10000017
C18H28O3	292.20384	0.592	Ketochabrolic acid	KNApSAcK: C00030533, C00030607
C18H28O3	292.20384	0.592	Methyl [6]-paradol	HMDB: HMDB0302136 KNApSAcK: C00035687
C18H28O3	292.20384	0.592	17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	KEGG: C14911
C18H28O3	292.20384	0.592	13S-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid	LipidMAPS: LMFA02000373
C18H28O3	292.20384	0.592	4-oxo-2E,9E,17-octadecatrienoic acid	LipidMAPS: LMFA02000365
C18H28O3	292.20384	0.592	9-oxo-10E,12Z,15Z-octadecatrienoic acid	LipidMAPS: LMFA02000371
C18H28O3	292.20384	0.592	4-oxo-2E,11Z,17-octadecatrienoic acid	LipidMAPS: LMFA02000366
C18H28O3	292.20384	0.592	[7]-Paradol	HMDB: HMDB0040806 KNApSAcK: C00035032
C18H28O3	292.20384	0.592	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane	KNApSAcK: C00021112
C18H28O3	292.20384	0.592	13-keto-9Z,11E,15Z-octadecatrienoic acid	LipidMAPS: LMFA02000028
C18H28O3	292.20384	0.592	(-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid	LipidMAPS: LMFA02000191
C18H28O3	292.20384	0.592	(9S,13S,15Z)-12-Oxophyto-10,15-dienoate	HMDB: HMDB0301804, HMDB0302724, [-1]HMDB0304018 KEGG: C01226, C13816 KNApSAcK: C00000365 LipidMAPS: LMFA02010001
C18H28O3	292.20384	0.592	14,15-Dinor-13-oxo-7-labden-17-oic acid	KNApSAcK: C00023388
C18H28O3	292.20384	0.592	Panaquinquecol 1	HMDB: HMDB0038035 LipidMAPS: LMFA05000686
C18H28O3	292.20384	0.592	10-OPDA	KEGG: C16325
C18H28O3	292.20384	0.592	8-hydroxy-10,12-octadecadiynoic acid	LipidMAPS: LMFA02000194
C18H28O3	292.20384	0.592	alpha-Licanic acid	KEGG: C08319 KNApSAcK: C00001222 LipidMAPS: LMFA02000273, LMFA02000297
C18H28O3	292.20384	0.592	13-(3-oxo-1-cyclopentenyl)-4E-tridecenoic acid	LipidMAPS: LMFA01140104
C18H28O3	292.20384	0.592	8-hydroxy-9,11-octadecadiynoic acid	LipidMAPS: LMFA02000193
C18H28O3	292.20384	0.592	6-Hydroxyoctadeca-7,9-diynoic acid	LipidMAPS: LMFA01031024
C18H28O3	292.20384	0.592	(9Z)-10-{(1'R,2'S,3'S,5'S)-3-[(1''E)-prop-1''-en-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}dec-9-enoic acid	LipidMAPS: LMFA02000392
C18H28O3	292.20384	0.592	(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid	HMDB: [-1]HMDB0304017 KEGG: C04672 KNApSAcK: C00000363 LipidMAPS: LMFA02000053
C18H28O3	292.20384	0.592	Etherolenic acid	KEGG: C16319 LipidMAPS: LMFA10000007, LMFA10000009, LMFA10000003
C18H28O3	292.20384	0.592	12-Oxo-9Z,13Z,15Z-octadecatrienoic acid	LipidMAPS: LMFA02000310
C18H28O3	292.20384	0.592	8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoic acid	LipidMAPS: LMFA02010020
C18H28O3	292.20384	0.592	9-hydroxy-10E,14Z-octadecadien-12-ynoic acid	LipidMAPS: LMFA02000192
C18H28O3	292.20384	0.592	9,10-EOT	KEGG: C16324

MSnスペクトル情報

Level: 2, プリカーサーm/z: 293.21121

Splash: splash10-004i-0190000000-09ae2d15bf1501d2ce2d

m/z	Int.	NL	Rel.Int.
275.22	5157	18	1000
171.00	722	122	140

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Methoxyfurano[2'',3'':6,7]aurone
[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-(alpha-oxobenzyl)benzofuran	Derriobtusone A
[alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none)	alpha-substituted Chalcone	Purpuritenin B
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl)	Chalcone	Purpuritenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Pongone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Cauliflorin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Glabone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Kanjone
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Pinnatin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Karanjin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Ponganone XI

Level: 3, プリカーサーm/z: 275.19635

Splash: splash10-0a4i-0690000000-bab8c5c855d891dcf07a

m/z	Int.	NL	Rel.Int.
257.13	973	18	1000
149.02	224	126	230
239.21	173	36	178
159.02	141	116	145
229.25	125	46	128
173.10	100	102	103
215.19	100	60	103
147.02	99	128	102
161.12	95	114	97
133.00	89	142	91
145.17	81	130	83
134.96	70	140	71
187.12	59	88	60
201.14	52	74	53
118.99	51	156	52
197.18	49	78	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.056	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.050	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

Level: 3, プリカーサーm/z: 171.07072

Splash: splash10-00di-0900000000-2aeff8e3245b3ea558f8

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

m/z	Int.	NL	Rel.Int.
124.96	135	46	1000
153.04	37	18	278
134.99	34	36	251
143.04	13	28	97
97.04	12	74	88
107.08	7	64	54