ピーク情報

リーフレタスグリーン

pos

Peak #12423 MN MID: SE198_S12_M90

m/z: 327.19365, RT: 98.92, 強度: 1795, ログ強度: -0.24, アダクト: [M+K]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (14 names) 4,12-dihydroxy-hexadecanoic acid;MG(0:0/a-13:0/0:0)[rac];9,10-dihydroxy-hexadecanoic acid;3,16-dihydroxyhexadecanoic acid;15,16-dihydroxy-hexadecanoic acid;Ethyl seco-plakortide Z;(-)-Ethyl secoplakor...

DBごとのヒット数: ALL 13 KG 1 KN 1 HM 5 LM 6

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

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
C16H32O4	288.23006	1.515	4,12-dihydroxy-hexadecanoic acid	LipidMAPS: LMFA01050189
C16H32O4	288.23006	1.515	MG(0:0/a-13:0/0:0)[rac]	HMDB: HMDB0072843
C16H32O4	288.23006	1.515	9,10-dihydroxy-hexadecanoic acid	LipidMAPS: LMFA01050191
C16H32O4	288.23006	1.515	3,16-dihydroxyhexadecanoic acid	LipidMAPS: LMFA01050487
C16H32O4	288.23006	1.515	15,16-dihydroxy-hexadecanoic acid	LipidMAPS: LMFA01050084
C16H32O4	288.23006	1.515	Ethyl seco-plakortide Z	KNApSAcK: C00049900, C00049904
C16H32O4	288.23006	1.515	MG(0:0/13:0/0:0)	HMDB: HMDB0072861
C16H32O4	288.23006	1.515	MG(0:0/i-13:0/0:0)	HMDB: HMDB0072870
C16H32O4	288.23006	1.515	10,16-Dihydroxyhexadecanoic acid	HMDB: HMDB0037798 KEGG: C08285 KNApSAcK: C00007440 LipidMAPS: LMFA01050341
C16H32O4	288.23006	1.515	MG(a-13:0/0:0/0:0)[rac]	HMDB: HMDB0072841
C16H32O4	288.23006	1.515	MG(13:0/0:0/0:0)	HMDB: HMDB0072845
C16H32O4	288.23006	1.515	3,12-dihydroxy-hexadecanoic acid	LipidMAPS: LMFA01050083
C16H32O4	288.23006	1.515	9,16-dihydroxy-hexadecanoic acid	LipidMAPS: LMFA01050340

MSnスペクトル情報

Level: 2, プリカーサーm/z: 327.19354

Splash: splash10-0a4i-0029000000-1aa4a432736d407139f3

m/z	Int.	NL	Rel.Int.
309.18	1311	18	1000
249.26	187	78	142
227.07	113	100	85
213.07	84	114	63

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-prenyldihydrochalcone
[Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Millettocalyxin A
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milletenin C
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	7,8-Dimethoxy-3',4'-methylenedioxyflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavone	Eucalyptin
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	5,7-Dimethoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Demethoxykanugin
[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavonol	3,5-Dimethoxy-6,7-methylenedioxyflavone
[Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavan 3-ol	Broussinol
[Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin methyl ether
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Maximaisoflavone D
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Derrustone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Tlatlancuayin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisolone methyl ether
[Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH)	Isoflavan	Cyclomillinol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxyflemichapparin C
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Tephrosol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Sophoracoumestan B
[6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone A
[4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-phenylcoumarin	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin

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	N原子数	S原子数	共有数
12423	98.92	327.19365	0.0000	-0.24	[M+K]+	(14 names) 4,12-dihydroxy-hexadecanoic acid; MG(0:0/a-13:0/0:0)[rac]; 9,10-dihydroxy-hexadecanoic acid; 3,16-dihydroxyhexadecanoic acid; 15,16-dihydroxy-hexadecanoic acid; Ethyl seco-plakortide Z; (-)-Ethyl secoplakor...	ALL 13 KG 1 KN 1 HM 5 LM 6	MS2	N 0	S 0	1
	98.91	311.21976	-15.9739	-0.30	[M+Na]+	(14 names) 4,12-dihydroxy-hexadecanoic acid; MG(0:0/a-13:0/0:0)[rac]; 9,10-dihydroxy-hexadecanoic acid; 3,16-dihydroxyhexadecanoic acid; 15,16-dihydroxy-hexadecanoic acid; Ethyl seco-plakortide Z; (-)-Ethyl secoplakor...	ALL 13 KG 1 KN 1 HM 5 LM 6		N 0	S 0	1
	98.90	306.26421	-20.9294	0.35	[M+NH4]+	(14 names) 4,12-dihydroxy-hexadecanoic acid; MG(0:0/a-13:0/0:0)[rac]; 9,10-dihydroxy-hexadecanoic acid; 3,16-dihydroxyhexadecanoic acid; 15,16-dihydroxy-hexadecanoic acid; Ethyl seco-plakortide Z; (-)-Ethyl secoplakor...	ALL 13 KG 1 KN 1 HM 5 LM 6		N 0	S 0	1
	98.91	289.23769	-37.9560	0.55	[M+H]+	(14 names) 4,12-dihydroxy-hexadecanoic acid; MG(0:0/a-13:0/0:0)[rac]; 9,10-dihydroxy-hexadecanoic acid; 3,16-dihydroxyhexadecanoic acid; 15,16-dihydroxy-hexadecanoic acid; Ethyl seco-plakortide Z; (-)-Ethyl secoplakor...	ALL 13 KG 1 KN 1 HM 5 LM 6	MS2 MS3	N 0	S 0	1