ピーク情報

ひよこまめ全粒乾

pos

Peak #2404 MN MID: SE123_S040651_M90

m/z: 337.27389, RT: 79.58, 強度: 17689, ログ強度: 0.71, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 44

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: 0.047, 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	0.499	Subamolide C	KNApSAcK: C00040403
C21H36O3	336.26645	0.499	5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol	LipidMAPS: LMPK15030042
C21H36O3	336.26645	0.499	5-Butyl-3,4-dimethyl-2-furanundecanoic acid	HMDB: HMDB0112072 LipidMAPS: LMFA01150021
C21H36O3	336.26645	0.499	Isolinderanolide	HMDB: HMDB0038105 LipidMAPS: LMFA07040150
C21H36O3	336.26645	0.499	3,4-Dimethyl-5-propyl-2-furandodecanoic acid	HMDB: HMDB0112076
C21H36O3	336.26645	0.499	3-Methyl-5-pentyl-2-furanundecanoic acid	HMDB: HMDB0031005 LipidMAPS: LMFA01150013
C21H36O3	336.26645	0.499	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol	KEGG: C14977
C21H36O3	336.26645	0.499	Methyl 15-hydroxy-7-labden-17-oate	KNApSAcK: C00023419
C21H36O3	336.26645	0.499	5beta-Pregnane-3alpha,17alpha,20alpha-triol	HMDB: HMDB0006070, HMDB0256756 KEGG: C14680
C21H36O3	336.26645	0.499	methyl 5R,6R-epoxy-eicos-7-ynoate	LipidMAPS: LMFA01070041, LMFA01070044
C21H36O3	336.26645	0.499	Allopregnane-3beta,16alpha,20alpha-triol	LipidMAPS: LMST02030306
C21H36O3	336.26645	0.499	Methyl labd-13-en-15-oate	KNApSAcK: C00037497
C21H36O3	336.26645	0.499	3-Methyl-5-propyl-2-furantridecanoic acid	HMDB: HMDB0112079
C21H36O3	336.26645	0.499	3,4-Dimethyl-5-pentyl-2-furandecanoic acid	HMDB: HMDB0112067 LipidMAPS: LMFA01150029
C21H36O3	336.26645	0.499	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: 337.27298

Splash: splash10-03ka-0920000000-e1bc282f3d0cafe71c67

m/z	Int.	NL	Rel.Int.
263.28	4511	74	1000
120.92	2628	216	582
161.01	2439	176	540
146.99	2291	190	507
245.23	2237	92	495
175.11	2119	162	469
133.05	1872	204	414
122.92	1792	214	397
163.12	1759	174	389
149.07	1370	188	303
108.93	1324	228	293
135.11	1187	202	263
106.98	1099	230	243
118.97	1055	218	233
151.03	999	186	221
105.00	977	232	216
189.15	901	148	199
137.08	770	200	170
319.17	741	18	164
165.18	614	172	136

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: 120.91774

Splash: splash10-002f-9000000000-bf7c9fe7cddb473fd773

m/z	Int.	NL	Rel.Int.
92.90	494	28	1000
78.86	317	42	641

Level: 3, プリカーサーm/z: 263.28497

Splash: splash10-006t-1920000000-c638f73d9e76baddf028

m/z	Int.	NL	Rel.Int.
245.25	400	18	1000
123.08	171	140	428
121.07	169	142	421
135.04	150	128	374
149.05	113	114	283
136.95	90	126	224
96.87	83	166	208
187.37	81	76	202
80.88	70	182	173
147.10	64	116	160
175.01	61	88	153
118.91	55	144	137
163.35	55	100	136
94.82	52	168	129
150.93	52	112	129
92.94	49	170	122
106.98	46	156	113
161.05	41	102	101
109.00	32	154	80
112.81	31	150	76