ピーク情報

リーフレタスグリーン

pos

Peak #11412 MN MID: SE198_S12_M90

m/z: 325.27386, RT: 64.26, 強度: 3014, ログ強度: -0.02, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (21 names) 14-hydroxy-11Z,17Z-eicosadienoic acid;13Z-Labdene-8alpha,15,16-triol;11,12-epoxy-14Z-Eicosenoic acid;15R-hydroxy-11Z-13E-eicosadienoic acid;14,15-Epoxyeicosa-5z-enoic acid;2beta,8beta,15-Trihydroxy-en...

DBごとのヒット数: ALL 19 KN 11 HM 2 LM 6

FlavonoidSearch最大スコア MS2: 0.118, 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
C20H36O3	324.26645	0.416	14-hydroxy-11Z,17Z-eicosadienoic acid	LipidMAPS: LMFA01050431
C20H36O3	324.26645	0.416	13Z-Labdene-8alpha,15,16-triol	KNApSAcK: C00023336
C20H36O3	324.26645	0.416	11,12-epoxy-14Z-Eicosenoic acid	LipidMAPS: LMFA01070024
C20H36O3	324.26645	0.416	15R-hydroxy-11Z-13E-eicosadienoic acid	LipidMAPS: LMFA03000008
C20H36O3	324.26645	0.416	14,15-Epoxyeicosa-5z-enoic acid	HMDB: HMDB0244590
C20H36O3	324.26645	0.416	Vitexifolin B	KNApSAcK: C00045445
C20H36O3	324.26645	0.416	2beta,8beta,15-Trihydroxy-ent-labd-13E-one	KNApSAcK: C00023415
C20H36O3	324.26645	0.416	14,15-Dihydro-14,15-dihydroxygeranyllinalol	KNApSAcK: C00022112
C20H36O3	324.26645	0.416	11R-hydroxy-12E,14Z-eicosadienoic acid	LipidMAPS: LMFA03000005, LMFA03000009
C20H36O3	324.26645	0.416	Moponeol A	KNApSAcK: C00044939, C00044940
C20H36O3	324.26645	0.416	(Z)-15-Oxo-11-eicosenoic acid	HMDB: HMDB0029797
C20H36O3	324.26645	0.416	Crolechinol	KNApSAcK: C00035569
C20H36O3	324.26645	0.416	Trixagotriol	KNApSAcK: C00022206
C20H36O3	324.26645	0.416	8-Labdene-13R,14R,15-triol	HMDB: HMDB0034957 KNApSAcK: C00023332
C20H36O3	324.26645	0.416	14S,15R-epoxy-11Z-eicosenoic acid	LipidMAPS: LMFA01070021
C20H36O3	324.26645	0.416	20-hydroxy-6Z,15Z-eicosadienoic acid	HMDB: HMDB0245564 LipidMAPS: LMFA03000010
C20H36O3	324.26645	0.416	13E-Labdene-3beta,8alpha,15-triol	KNApSAcK: C00023334
C20H36O3	324.26645	0.416	7-Labdene-13R,14R,15-triol	HMDB: HMDB0034958 KNApSAcK: C00023328
C20H36O3	324.26645	0.416	Barbatol	KNApSAcK: C00022300

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.27368

Splash: splash10-0a4i-0059000000-e030a4e27fdb072c0c98

m/z	Int.	NL	Rel.Int.
307.23	4504	18	1000
289.26	999	36	221
268.12	804	57	178
269.26	485	56	107
271.21	229	54	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.118	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.118	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.118	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.100	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.100	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.100	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.100	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.100	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.100	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.067	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.067	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.067	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol