ピーク情報

リーフレタスグリーン

pos

Peak #12009 MN MID: SE198_S12_M90

m/z: 275.20066, RT: 78.14, 強度: 4687, ログ強度: 0.17, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (25 names) Empenthrin;13E-octadecene-9,11-diynoic acid;5E-Octadecene-7,9-diynoic acid;9Z-Octadecene-12,14-diynoic acid;(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid;5Z,8Z,11Z,14Z,17Z-octadecapentaenoic acid...

DBごとのヒット数: ALL 23 KG 4 KN 2 HM 1 LM 16

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
C18H26O2	274.19328	0.393	Empenthrin	KEGG: C18524
C18H26O2	274.19328	0.393	13E-octadecene-9,11-diynoic acid	LipidMAPS: LMFA01030556, LMFA01030557
C18H26O2	274.19328	0.393	5E-Octadecene-7,9-diynoic acid	LipidMAPS: LMFA01030737, LMFA01030738
C18H26O2	274.19328	0.393	9Z-Octadecene-12,14-diynoic acid	LipidMAPS: LMFA01030739, LMFA01030740
C18H26O2	274.19328	0.393	(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid	HMDB: HMDB0035963 LipidMAPS: LMFA01030919
C18H26O2	274.19328	0.393	5Z,8Z,11Z,14Z,17Z-octadecapentaenoic acid	LipidMAPS: LMFA02000349
C18H26O2	274.19328	0.393	1-Phenyl-1,3-dodecanedione	HMDB: HMDB0035579
C18H26O2	274.19328	0.393	12Z-Octadecen-7,9-diynoic acid	LipidMAPS: LMFA01031100
C18H26O2	274.19328	0.393	Octadeca-9Z,17-dien-12,14-diyne-1,16-diol	LipidMAPS: LMFA01050556, LMFA05000730
C18H26O2	274.19328	0.393	3,6,9,12,15-octadecapentaenoic acid	LipidMAPS: LMFA01030359, LMFA01030360
C18H26O2	274.19328	0.393	Apo-13-zeaxanthinone	HMDB: HMDB0302026 KNApSAcK: C00022189
C18H26O2	274.19328	0.393	Cinmethylin	KEGG: C10903
C18H26O2	274.19328	0.393	Nandrolone	HMDB: HMDB0002725 KEGG: C07254 LipidMAPS: LMST02010044
C18H26O2	274.19328	0.393	9Z,12Z,15Z-octadecatrien-6-ynoic acid	LipidMAPS: LMFA01031109
C18H26O2	274.19328	0.393	17beta-Hydroxyestr-5(10)-en-3-one	KEGG: C15257
C18H26O2	274.19328	0.393	6-[1]-ladderane hexanoic acid	LipidMAPS: LMFA01140085
C18H26O2	274.19328	0.393	17-octadecene-9,11-diynoic acid	LipidMAPS: LMFA01030558
C18H26O2	274.19328	0.393	Rhodinyl phenylacetate	HMDB: HMDB0037191 LipidMAPS: LMFA07011015
C18H26O2	274.19328	0.393	Citronellyl alpha-toluate	HMDB: HMDB0037230 LipidMAPS: LMFA07010813
C18H26O2	274.19328	0.393	9E-octadecen-5,7-diynoic acid	LipidMAPS: LMFA01031204
C18H26O2	274.19328	0.393	(Z)-Octadec-12-ene-8,10-diynoic acid	KNApSAcK: C00031478
C18H26O2	274.19328	0.393	6-[5]-ladderane-hexanoic acid	LipidMAPS: LMFA01140003
C18H26O2	274.19328	0.393	Octadeca-7Z,9Z,12Z-trien-5-ynoic acid	LipidMAPS: LMFA01031261

MSnスペクトル情報

Level: 2, プリカーサーm/z: 275.20053

Splash: splash10-0a4i-0490000000-2d3be3dfcb828239c39d

m/z	Int.	NL	Rel.Int.
257.14	554	18	1000
173.08	116	102	208
239.22	90	36	162
213.28	83	62	149
183.10	77	92	138
118.98	48	156	86
191.10	47	84	84
201.10	44	74	79
187.08	42	88	76
215.15	41	60	73
217.24	40	58	71
199.09	36	76	64
175.11	34	100	61
197.13	32	78	57
157.15	30	118	54

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.053	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.053	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
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

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果