ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1720 MN MID: SE204_S03_M90

m/z: 223.09646, RT: 56.43, 強度: 1897, ログ強度: -0.11, 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: (26 names) alpha-Carboxyethyl hydroxychroman;Piperonyl isobutyrate;Monoisobutyl phthalic acid;Isodillapiole;Diglycidyl resorcinol ether;1,3-Benzodioxole-5-pentanoic acid;Apiole;DIethyl phthalate;Methyl-4-(butyry...

DBごとのヒット数: ALL 26 KG 5 KN 9 HM 11 LM 1

FlavonoidSearch最大スコア MS2: 0.100, 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
C12H14O4	222.08921	-0.103	alpha-Carboxyethyl hydroxychroman	HMDB: HMDB0257876
C12H14O4	222.08921	-0.103	Piperonyl isobutyrate	HMDB: HMDB0037130
C12H14O4	222.08921	-0.103	Monoisobutyl phthalic acid	HMDB: HMDB0002056
C12H14O4	222.08921	-0.103	Isodillapiole	HMDB: HMDB0029470
C12H14O4	222.08921	-0.103	1,3-Benzodioxole-5-pentanoic acid	HMDB: HMDB0034056 KNApSAcK: C00054495
C12H14O4	222.08921	-0.103	Diglycidyl resorcinol ether	KEGG: C19228 KNApSAcK: C00052886
C12H14O4	222.08921	-0.103	Apiole	HMDB: HMDB0033776 KEGG: C10429 KNApSAcK: C00002714
C12H14O4	222.08921	-0.103	DIethyl phthalate	HMDB: HMDB0094660 KEGG: C14175 KNApSAcK: C00042472
C12H14O4	222.08921	-0.103	Methyl-4-(butyryloxy)benzoate	KNApSAcK: C00034602
C12H14O4	222.08921	-0.103	3-Butylphthalic acid	HMDB: HMDB0245830
C12H14O4	222.08921	-0.103	Ethyl ferulate	KNApSAcK: C00031779
C12H14O4	222.08921	-0.103	Carboxy-ethyl-hydroxychroman	HMDB: HMDB0249650
C12H14O4	222.08921	-0.103	Sordarial	KNApSAcK: C00030433
C12H14O4	222.08921	-0.103	Monobutylphthalate	HMDB: HMDB0013247
C12H14O4	222.08921	-0.103	Dillapiole	HMDB: HMDB0030725 KEGG: C10449 KNApSAcK: C00002737
C12H14O4	222.08921	-0.103	3,4-Dimethoxycinnamic acid methyl ester	KNApSAcK: C00048280
C12H14O4	222.08921	-0.103	Diethylbenzenedicarboxylic acid	HMDB: HMDB0258113
C12H14O4	222.08921	-0.103	Coniferyl acetate	HMDB: HMDB0304294 KEGG: C20225
C12H14O4	222.08921	-0.103	Vanillin isobutyrate	HMDB: HMDB0037681
C12H14O4	222.08921	-0.103	5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0029226
C12H14O4	222.08921	-0.103	2E,4E,8E,10E-Dodecatetraenedioic acid	LipidMAPS: LMFA01170008
C12H14O4	222.08921	-0.103	2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one	HMDB: HMDB0041379 KNApSAcK: C00053920
C12H14O4	222.08921	-0.103	3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin	KNApSAcK: C00050514
C12H14O4	222.08921	-0.103	Dihydrodeoxy-8-epiaustdiol	HMDB: HMDB0031668 KNApSAcK: C00055306
C12H14O4	222.08921	-0.103	2,4,5-Trimethoxycinnamaldehyde	HMDB: HMDB0038563 KNApSAcK: C00036457
C12H14O4	222.08921	-0.103	Carboxyethyl-hydroxychroman	HMDB: HMDB0249658

MSnスペクトル情報

Level: 2, プリカーサーm/z: 223.09613

Splash: splash10-0002-0940000000-c881eb3cf5b4e645e1ce

m/z	Int.	NL	Rel.Int.
148.88	12264	74	1000
204.79	6111	18	498

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Flavone]-A(none)-B(none)	Flavone	Flavone

Level: 3, プリカーサーm/z: 148.88326

Splash: splash10-00di-0900000000-2a67200934ea7f8d43b6

m/z	Int.	NL	Rel.Int.
120.93	107	28	1000
148.99	24	-0	221

Level: 3, プリカーサーm/z: 204.78651

Splash: splash10-0002-0900000000-c82e8d970cb9ab1f687e

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.
148.94	71	56	1000
187.00	25	18	360
162.90	17	42	234
177.08	16	28	227
120.99	10	84	143
147.00	9	58	123
131.00	4	74	54