ピーク情報

シロイヌナズナ　地上部

pos

Peak #3792 MN MID: SE200_S1_M90

m/z: 225.14857, RT: 43.43, 強度: 11633, ログ強度: 0.44, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (20 names) Vomifoliol;Methyl 10R-hydroxydodec-8E-en-11-ynoate;Sundiversifolide;4,15-Dinor-3-hydroxy-1(5)-xanthene-12,8-olide;MKN-003A;(+)-MKN-003A;3-Methylbutyl 2-furanbutanoate;Jhanilactone;Annuionone C;13-Oxo-...

DBごとのヒット数: ALL 18 KG 2 KN 8 HM 4 LM 4

FlavonoidSearch最大スコア MS2: 0.143, MS3: -

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
C13H20O3	224.14124	0.216	(6S,9R)-Vomifoliol	HMDB: HMDB0303570 KEGG: C01760, C04166 KNApSAcK: C00029834
C13H20O3	224.14124	0.216	Methyl 10R-hydroxydodec-8E-en-11-ynoate	LipidMAPS: LMFA01050594
C13H20O3	224.14124	0.216	Sundiversifolide	HMDB: HMDB0037244 KNApSAcK: C00037865
C13H20O3	224.14124	0.216	MKN-003A	KNApSAcK: C00046159
C13H20O3	224.14124	0.216	3-Methylbutyl 2-furanbutanoate	HMDB: HMDB0037736
C13H20O3	224.14124	0.216	Jhanilactone	KNApSAcK: C00021928
C13H20O3	224.14124	0.216	Annuionone C	HMDB: HMDB0032689 KNApSAcK: C00044091
C13H20O3	224.14124	0.216	13-Oxo-9,11-tridecadienoic acid	HMDB: HMDB0034564 LipidMAPS: LMFA01060202
C13H20O3	224.14124	0.216	Grasshopper ketone	HMDB: HMDB0303443 KNApSAcK: C00031831
C13H20O3	224.14124	0.216	3-Methyl-5-pentyl-2-furanpropanoic acid	HMDB: HMDB0112084
C13H20O3	224.14124	0.216	11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid	LipidMAPS: LMFA01020413
C13H20O3	224.14124	0.216	Epoxyeremopetasinorol	HMDB: HMDB0029670
C13H20O3	224.14124	0.216	Furfuryl octanoate	HMDB: HMDB0037730 LipidMAPS: LMFA07010891
C13H20O3	224.14124	0.216	Annuionone A	HMDB: HMDB0032679 KNApSAcK: C00035806
C13H20O3	224.14124	0.216	Apiosporic acid	KNApSAcK: C00044528
C13H20O3	224.14124	0.216	Methyl jasmonate	HMDB: HMDB0036583, HMDB0253727, HMDB0301800 KEGG: C11512, C16318 KNApSAcK: C00000219, C00000223 LipidMAPS: LMFA02020010, LMFA02020016
C13H20O3	224.14124	0.216	Octyl 2-furoate	HMDB: HMDB0037726
C13H20O3	224.14124	0.216	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid	KNApSAcK: C00000229

MSnスペクトル情報

Level: 2, プリカーサーm/z: 225.14827

Splash: splash10-066r-0910000000-f5a0f4b165df451e9baf

m/z	Int.	NL	Rel.Int.
167.00	37406	58	1000
207.07	16102	18	430
109.02	12267	116	327
165.11	9813	60	262
182.98	6044	42	161
122.94	5854	102	156
189.08	3848	36	102
149.10	3278	76	87

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Chalcone]-A(1OH)-B(none)	Chalcone	4'-Hydroxychalcone

Level: 3, プリカーサーm/z: 166.99541

Splash: splash10-0ab9-0900000000-af68d9d05a8c798dd69d

m/z	Int.	NL	Rel.Int.
121.05	5389	46	1000
106.98	5312	60	985
149.01	3768	18	699
108.90	2756	58	511
139.03	1463	28	271
123.06	492	44	91
125.01	370	42	68

Level: 3, プリカーサーm/z: 207.06729

Splash: splash10-01pa-0900000000-9318db98e3612b9aabda

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
189.12	2802	18	1000
164.98	1054	42	376
174.92	948	32	338
150.94	898	56	320
149.03	893	58	318
146.95	772	60	275
161.00	558	46	199
163.03	332	44	118
179.02	318	28	113
108.84	255	98	91
123.09	249	84	89
136.98	221	70	78
171.00	211	36	75
132.97	178	74	63
120.88	172	86	61
106.94	159	100	56