ピーク情報

（その他）はちみつ

pos

Peak #3517 MN MID: SE112_S030221_M90

m/z: 225.14849, RT: 45.93, 強度: 22882, ログ強度: 0.96, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 20

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: 0.231, 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	-0.139	(6S,9R)-Vomifoliol	HMDB: HMDB0303570 KEGG: C01760, C04166 KNApSAcK: C00029834
C13H20O3	224.14124	-0.139	Methyl 10R-hydroxydodec-8E-en-11-ynoate	LipidMAPS: LMFA01050594
C13H20O3	224.14124	-0.139	Sundiversifolide	HMDB: HMDB0037244 KNApSAcK: C00037865
C13H20O3	224.14124	-0.139	MKN-003A	KNApSAcK: C00046159
C13H20O3	224.14124	-0.139	3-Methylbutyl 2-furanbutanoate	HMDB: HMDB0037736
C13H20O3	224.14124	-0.139	Jhanilactone	KNApSAcK: C00021928
C13H20O3	224.14124	-0.139	Annuionone C	HMDB: HMDB0032689 KNApSAcK: C00044091
C13H20O3	224.14124	-0.139	13-Oxo-9,11-tridecadienoic acid	HMDB: HMDB0034564 LipidMAPS: LMFA01060202
C13H20O3	224.14124	-0.139	Grasshopper ketone	HMDB: HMDB0303443 KNApSAcK: C00031831
C13H20O3	224.14124	-0.139	3-Methyl-5-pentyl-2-furanpropanoic acid	HMDB: HMDB0112084
C13H20O3	224.14124	-0.139	11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid	LipidMAPS: LMFA01020413
C13H20O3	224.14124	-0.139	Epoxyeremopetasinorol	HMDB: HMDB0029670
C13H20O3	224.14124	-0.139	Furfuryl octanoate	HMDB: HMDB0037730 LipidMAPS: LMFA07010891
C13H20O3	224.14124	-0.139	Annuionone A	HMDB: HMDB0032679 KNApSAcK: C00035806
C13H20O3	224.14124	-0.139	Apiosporic acid	KNApSAcK: C00044528
C13H20O3	224.14124	-0.139	Methyl jasmonate	HMDB: HMDB0036583, HMDB0253727, HMDB0301800 KEGG: C11512, C16318 KNApSAcK: C00000219, C00000223 LipidMAPS: LMFA02020010, LMFA02020016
C13H20O3	224.14124	-0.139	Octyl 2-furoate	HMDB: HMDB0037726
C13H20O3	224.14124	-0.139	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: 225.14824

Splash: splash10-0a4i-0790000000-d274146a141e9c3420cf

m/z	Int.	NL	Rel.Int.
207.08	6106	18	1000
181.11	1373	44	224
107.04	1098	118	179
179.10	759	46	124
189.07	744	36	121
100.98	682	124	111
151.09	384	74	62
120.86	332	104	54

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

Level: 3, プリカーサーm/z: 207.08270

Splash: splash10-01ri-0900000000-554b86bea704b8275356

m/z	Int.	NL	Rel.Int.
189.08	496	18	1000
179.07	370	28	747
163.23	293	44	591
101.09	179	106	360
107.08	164	100	331
161.05	145	46	291
120.97	97	86	194
147.20	95	60	191
123.02	85	84	170
148.98	83	58	168
119.13	59	88	119
134.94	42	72	85
137.30	37	70	74
170.88	33	36	67

Level: 3, プリカーサーm/z: 181.11385

Splash: splash10-03kc-0900000000-92adb25c7dc1784c148b

m/z	Int.	NL	Rel.Int.
163.09	111	18	1000
144.98	94	36	844
121.04	57	60	514
123.16	43	58	390
135.10	24	46	215
153.06	9	28	83
124.71	8	56	71
106.80	7	74	60
136.98	6	44	57

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	FS2	共有数
	45.93	266.17488	41.0264	-0.02	[M+ACN+H]+	(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-...	ALL 18 KG 2 KN 8 HM 4 LM 4			2
3517	45.93	225.14849	0.0000	0.96	[M+H]+	(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-...	ALL 18 KG 2 KN 8 HM 4 LM 4	MS2 MS3 x 2	0.231	20
	45.92	207.13784	-18.0106	0.36	[M-H2O+H]+	(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-...	ALL 18 KG 2 KN 8 HM 4 LM 4	MS2 MS3 x 2		6

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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