ピーク情報

ミヤコグサ

neg

Peak #4629 MN MID: SE205_S07_M91

m/z: 221.08217, RT: 56.19, 強度: 10284, ログ強度: 0.58, 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: -, 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	1.072	alpha-Carboxyethyl hydroxychroman	HMDB: HMDB0257876
C12H14O4	222.08921	1.072	Piperonyl isobutyrate	HMDB: HMDB0037130
C12H14O4	222.08921	1.072	Monoisobutyl phthalic acid	HMDB: HMDB0002056
C12H14O4	222.08921	1.072	Isodillapiole	HMDB: HMDB0029470
C12H14O4	222.08921	1.072	1,3-Benzodioxole-5-pentanoic acid	HMDB: HMDB0034056 KNApSAcK: C00054495
C12H14O4	222.08921	1.072	Diglycidyl resorcinol ether	KEGG: C19228 KNApSAcK: C00052886
C12H14O4	222.08921	1.072	Apiole	HMDB: HMDB0033776 KEGG: C10429 KNApSAcK: C00002714
C12H14O4	222.08921	1.072	DIethyl phthalate	HMDB: HMDB0094660 KEGG: C14175 KNApSAcK: C00042472
C12H14O4	222.08921	1.072	Methyl-4-(butyryloxy)benzoate	KNApSAcK: C00034602
C12H14O4	222.08921	1.072	3-Butylphthalic acid	HMDB: HMDB0245830
C12H14O4	222.08921	1.072	Ethyl ferulate	KNApSAcK: C00031779
C12H14O4	222.08921	1.072	Carboxy-ethyl-hydroxychroman	HMDB: HMDB0249650
C12H14O4	222.08921	1.072	Sordarial	KNApSAcK: C00030433
C12H14O4	222.08921	1.072	Monobutylphthalate	HMDB: HMDB0013247
C12H14O4	222.08921	1.072	Dillapiole	HMDB: HMDB0030725 KEGG: C10449 KNApSAcK: C00002737
C12H14O4	222.08921	1.072	3,4-Dimethoxycinnamic acid methyl ester	KNApSAcK: C00048280
C12H14O4	222.08921	1.072	Diethylbenzenedicarboxylic acid	HMDB: HMDB0258113
C12H14O4	222.08921	1.072	Coniferyl acetate	HMDB: HMDB0304294 KEGG: C20225
C12H14O4	222.08921	1.072	Vanillin isobutyrate	HMDB: HMDB0037681
C12H14O4	222.08921	1.072	5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0029226
C12H14O4	222.08921	1.072	2E,4E,8E,10E-Dodecatetraenedioic acid	LipidMAPS: LMFA01170008
C12H14O4	222.08921	1.072	2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one	HMDB: HMDB0041379 KNApSAcK: C00053920
C12H14O4	222.08921	1.072	3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin	KNApSAcK: C00050514
C12H14O4	222.08921	1.072	Dihydrodeoxy-8-epiaustdiol	HMDB: HMDB0031668 KNApSAcK: C00055306
C12H14O4	222.08921	1.072	2,4,5-Trimethoxycinnamaldehyde	HMDB: HMDB0038563 KNApSAcK: C00036457
C12H14O4	222.08921	1.072	Carboxyethyl-hydroxychroman	HMDB: HMDB0249658

MSnスペクトル情報

Level: 2, プリカーサーm/z: 221.08208

Splash: splash10-004j-1900000000-9bd4f8e85d4c5e702f83

m/z	Int.	NL	Rel.Int.
176.98	20272	44	1000
148.94	7606	72	375
68.93	3757	152	185
146.99	3188	74	157
120.93	2954	100	145
70.96	2424	150	119

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果