ピーク情報

パセリ　葉

pos

Peak #9292 MN MID: SE61_S21_M90

m/z: 337.27374, RT: 78.23, 強度: 21442, ログ強度: 0.75, 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: (15 names) Subamolide C;(+)-Subamolide C;5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol;5-Butyl-3,4-dimethyl-2-furanundecanoic acid;Isolinderanolide;3,4-Dimethyl-5-propyl-2-furandodecanoic acid;2alpha-(Hydroxymethyl...

DBごとのヒット数: ALL 14 KG 2 KN 3 HM 3 LM 6

FlavonoidSearch最大スコア MS2: 0.044, MS3: -

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
C21H36O3	336.26645	0.040	Subamolide C	KNApSAcK: C00040403
C21H36O3	336.26645	0.040	5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol	LipidMAPS: LMPK15030042
C21H36O3	336.26645	0.040	5-Butyl-3,4-dimethyl-2-furanundecanoic acid	HMDB: HMDB0112072 LipidMAPS: LMFA01150021
C21H36O3	336.26645	0.040	Isolinderanolide	HMDB: HMDB0038105 LipidMAPS: LMFA07040150
C21H36O3	336.26645	0.040	3,4-Dimethyl-5-propyl-2-furandodecanoic acid	HMDB: HMDB0112076
C21H36O3	336.26645	0.040	3-Methyl-5-pentyl-2-furanundecanoic acid	HMDB: HMDB0031005 LipidMAPS: LMFA01150013
C21H36O3	336.26645	0.040	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol	KEGG: C14977
C21H36O3	336.26645	0.040	Methyl 15-hydroxy-7-labden-17-oate	KNApSAcK: C00023419
C21H36O3	336.26645	0.040	5beta-Pregnane-3alpha,17alpha,20alpha-triol	HMDB: HMDB0006070, HMDB0256756 KEGG: C14680
C21H36O3	336.26645	0.040	methyl 5R,6R-epoxy-eicos-7-ynoate	LipidMAPS: LMFA01070041, LMFA01070044
C21H36O3	336.26645	0.040	Allopregnane-3beta,16alpha,20alpha-triol	LipidMAPS: LMST02030306
C21H36O3	336.26645	0.040	Methyl labd-13-en-15-oate	KNApSAcK: C00037497
C21H36O3	336.26645	0.040	3-Methyl-5-propyl-2-furantridecanoic acid	HMDB: HMDB0112079
C21H36O3	336.26645	0.040	3,4-Dimethyl-5-pentyl-2-furandecanoic acid	HMDB: HMDB0112067 LipidMAPS: LMFA01150029
C21H36O3	336.26645	0.040	5-Hexyl-3,4-dimethyl-2-furannonanoic acid	HMDB: HMDB0112101

MSnスペクトル情報

Level: 2, プリカーサーm/z: 337.27316

Splash: splash10-03dj-0920000000-88e0d72fca7a73ece5b7

m/z	Int.	NL	Rel.Int.
263.35	3210	74	1000
161.13	2038	176	635
108.98	1945	228	605
245.30	1875	92	584
175.10	1646	162	512
120.99	1634	216	509
147.07	1626	190	506
133.00	1375	204	428
149.11	1328	188	413
135.08	1282	202	399
163.05	1226	174	381
119.03	1130	218	352
104.96	1089	232	339
189.17	900	148	280
123.12	863	214	268
107.04	743	230	231
151.10	708	186	220
137.10	664	200	206
319.34	598	18	186
111.06	464	226	144

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.107	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Dorspoinsettifolin
0.105	[Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl))	Isoflavone	4'-O-Methylneobavaisoflavone
0.103	[Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Chalcone	Licoagrochalcone B
0.067	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Atalantoflavone
0.067	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Carpachromene
0.038	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Hemileiocarpin
0.034	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	4-Methoxylonchocarpin
0.032	[Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo C
0.031	[Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Isoderrone
0.031	[Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Glabrone
0.031	[Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Puerarone
0.031	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Alpinumisoflavone
0.031	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Derrone
0.000	[Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH)	Coumestan	Psoralidin
0.000	[Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl))	Coumestan	Isosojagol
0.000	[Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH)	Coumestan	Phaseol
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Ovalichromene
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin methyl ether
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Oaxacacin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Pongachalcone I
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Cedreprenone
0.000	[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	2-(alpha-oxobenzyl)benzofuran	Derriobtusone B
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	2'-Hydroxychalcone	Crassichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	6'-Demethoxypraecansone B
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none)	Flavanone	Tephroleocarpin B
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavanone	Emoroidenone
0.000	[Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	Lanceolatin A(flavonoid)
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavone	Ciliatin A
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavonol	Pongapin
0.000	[Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none)	Flav-3-ene	Tephrowatsin B
0.000	[Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dehydroneotenone
0.000	[Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Isoflavone	Garhwalin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH)	Pterocarpan-6a-ol	Clandestacarpin
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Coumestan	Sojagol
0.000	[Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isopsoralidin
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Dolineone
0.000	[3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Pachyrrhizin

Level: 3, プリカーサーm/z: 161.12875

Splash: splash10-001i-2900000000-913b7b1347751dbf5e73

m/z	Int.	NL	Rel.Int.
133.02	426	28	1000
119.10	130	42	305
104.97	110	56	259
90.93	55	70	128
95.02	40	66	94
81.06	40	80	93
79.03	24	82	56

Level: 3, プリカーサーm/z: 263.34546

Splash: splash10-0592-2910000000-3d755a43a91427604658

m/z	Int.	NL	Rel.Int.
81.06	154	182	1000
245.26	145	18	938
148.93	111	114	716
123.12	97	140	629
108.96	94	154	607
120.98	85	142	549
135.13	79	128	509
105.18	75	158	487
93.06	69	170	446
147.19	62	116	404
136.99	59	126	379
163.10	58	100	378
177.19	51	86	333
189.40	49	74	314
221.11	42	42	275
132.95	39	130	255
95.04	33	168	214
160.93	29	102	189
151.08	26	112	166
78.84	23	185	148