ピーク情報

＜アルコール飲料類＞（醸造酒類）ぶどう酒赤

pos

Peak #3892 MN MID: SE117_S160111_M90

m/z: 229.08582, RT: 55.41, 強度: 1046, ログ強度: -0.37, 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: (25 names) Oxybenzone;Anhydromarmesin;Seselin;Benzyl salicylate;Benzyl 4-hydroxybenzoate;5,6-Dehydrokawain;Forkienin;3,7-Dihydroxy-1,9-dimethyldibenzofuran;Majurin;o-Tolyl salicylate;Avicenol B;4,4',6-Trimethyla...

DBごとのヒット数: ALL 25 KG 9 KN 12 HM 4

FlavonoidSearch最大スコア MS2: -, 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
C14H12O3	228.07864	-0.434	2-Hydroxy-4-methoxybenzophenone	HMDB: HMDB0015497 KEGG: C14285
C14H12O3	228.07864	-0.434	Anhydromarmesin	KNApSAcK: C00035526
C14H12O3	228.07864	-0.434	Seselin	HMDB: HMDB0034257 KEGG: C09312 KNApSAcK: C00000300
C14H12O3	228.07864	-0.434	Benzyl salicylate	HMDB: HMDB0029818 KNApSAcK: C00035059
C14H12O3	228.07864	-0.434	Benzylparaben	HMDB: HMDB0249063 KEGG: C14393
C14H12O3	228.07864	-0.434	5,6-Dehydrokawain	HMDB: HMDB0034270 KEGG: C09925 KNApSAcK: C00002987, C00029550
C14H12O3	228.07864	-0.434	Forkienin	KNApSAcK: C00039220
C14H12O3	228.07864	-0.434	3,7-Dihydroxy-1,9-dimethyldibenzofuran	KNApSAcK: C00035219
C14H12O3	228.07864	-0.434	Majurin	KNApSAcK: C00037465
C14H12O3	228.07864	-0.434	o-Tolyl salicylate	HMDB: HMDB0037667
C14H12O3	228.07864	-0.434	Avicenol B	KNApSAcK: C00032746
C14H12O3	228.07864	-0.434	4,4',6-Trimethylangelicin	KEGG: C19538
C14H12O3	228.07864	-0.434	Benzilic acid	HMDB: HMDB0248991
C14H12O3	228.07864	-0.434	Ammirin	KNApSAcK: C00035521
C14H12O3	228.07864	-0.434	Trioxsalen	HMDB: HMDB0015575 KEGG: C09314 KNApSAcK: C00002502
C14H12O3	228.07864	-0.434	3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone	KEGG: C15196
C14H12O3	228.07864	-0.434	2,4,7-Trihydroxy-9,10-dihydrophenanthrene	KNApSAcK: C00029433
C14H12O3	228.07864	-0.434	Hibicutaiwanin	KNApSAcK: C00031856
C14H12O3	228.07864	-0.434	Triptispinocoumarin	KNApSAcK: C00020034
C14H12O3	228.07864	-0.434	7-Acetyl-4-methyl-1-azulenecarboxylic acid	KNApSAcK: C00055520
C14H12O3	228.07864	-0.434	2,4-Difurfurylfuran	HMDB: HMDB0032217
C14H12O3	228.07864	-0.434	Resveratrol	HMDB: HMDB0003747, HMDB0034118, HMDB0246741 KEGG: C03582 KNApSAcK: C00002903, C00044435 LipidMAPS: LMPK13090005
C14H12O3	228.07864	-0.434	trihydroxystilbene	HMDB: HMDB0259222
C14H12O3	228.07864	-0.434	3,4,5'-Trimethoxystilbene	KNApSAcK: C00015301
C14H12O3	228.07864	-0.434	Xanthyletin	HMDB: HMDB0302525 KEGG: C09317 KNApSAcK: C00002505

MSnスペクトル情報

Level: 2, プリカーサーm/z: 229.08589

Splash: splash10-001i-0920000000-f92e014dc65036ea7106

m/z	Int.	NL	Rel.Int.
134.90	8549	94	1000
211.03	2826	18	330
118.92	1275	110	149
106.90	1255	122	146
183.07	1034	46	120

Level: 3, プリカーサーm/z: 134.93951

Splash: splash10-0a4i-0900000000-f41b1f2bf411a3e1b33e

m/z	Int.	NL	Rel.Int.
106.97	1661	28	1000

Level: 3, プリカーサーm/z: 210.99446

Splash: splash10-001l-0900000000-265e0cec32b766422f69

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.
183.02	585	28	1000
193.07	354	18	604
141.00	73	70	125
155.07	59	56	100
167.03	30	44	50