ピーク情報

タバコBY-2細胞　3日目

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Peak #1714 MN MID: SE204_S03_M91

m/z: 221.08205, RT: 56.42, 強度: 2439, ログ強度: -0.07, 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	0.529	alpha-Carboxyethyl hydroxychroman	HMDB: HMDB0257876
C12H14O4	222.08921	0.529	Piperonyl isobutyrate	HMDB: HMDB0037130
C12H14O4	222.08921	0.529	Monoisobutyl phthalic acid	HMDB: HMDB0002056
C12H14O4	222.08921	0.529	Isodillapiole	HMDB: HMDB0029470
C12H14O4	222.08921	0.529	1,3-Benzodioxole-5-pentanoic acid	HMDB: HMDB0034056 KNApSAcK: C00054495
C12H14O4	222.08921	0.529	Diglycidyl resorcinol ether	KEGG: C19228 KNApSAcK: C00052886
C12H14O4	222.08921	0.529	Apiole	HMDB: HMDB0033776 KEGG: C10429 KNApSAcK: C00002714
C12H14O4	222.08921	0.529	DIethyl phthalate	HMDB: HMDB0094660 KEGG: C14175 KNApSAcK: C00042472
C12H14O4	222.08921	0.529	Methyl-4-(butyryloxy)benzoate	KNApSAcK: C00034602
C12H14O4	222.08921	0.529	3-Butylphthalic acid	HMDB: HMDB0245830
C12H14O4	222.08921	0.529	Ethyl ferulate	KNApSAcK: C00031779
C12H14O4	222.08921	0.529	Carboxy-ethyl-hydroxychroman	HMDB: HMDB0249650
C12H14O4	222.08921	0.529	Sordarial	KNApSAcK: C00030433
C12H14O4	222.08921	0.529	Monobutylphthalate	HMDB: HMDB0013247
C12H14O4	222.08921	0.529	Dillapiole	HMDB: HMDB0030725 KEGG: C10449 KNApSAcK: C00002737
C12H14O4	222.08921	0.529	3,4-Dimethoxycinnamic acid methyl ester	KNApSAcK: C00048280
C12H14O4	222.08921	0.529	Diethylbenzenedicarboxylic acid	HMDB: HMDB0258113
C12H14O4	222.08921	0.529	Coniferyl acetate	HMDB: HMDB0304294 KEGG: C20225
C12H14O4	222.08921	0.529	Vanillin isobutyrate	HMDB: HMDB0037681
C12H14O4	222.08921	0.529	5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0029226
C12H14O4	222.08921	0.529	2E,4E,8E,10E-Dodecatetraenedioic acid	LipidMAPS: LMFA01170008
C12H14O4	222.08921	0.529	2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one	HMDB: HMDB0041379 KNApSAcK: C00053920
C12H14O4	222.08921	0.529	3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin	KNApSAcK: C00050514
C12H14O4	222.08921	0.529	Dihydrodeoxy-8-epiaustdiol	HMDB: HMDB0031668 KNApSAcK: C00055306
C12H14O4	222.08921	0.529	2,4,5-Trimethoxycinnamaldehyde	HMDB: HMDB0038563 KNApSAcK: C00036457
C12H14O4	222.08921	0.529	Carboxyethyl-hydroxychroman	HMDB: HMDB0249658

MSnスペクトル情報

Level: 2, プリカーサーm/z: 221.08206

Splash: splash10-004j-2900000000-6e944a8838175a33bc3e

m/z	Int.	NL	Rel.Int.
176.99	2267	44	1000
149.01	1035	72	456
68.93	454	152	200
146.90	418	74	184
121.03	382	100	168
70.88	266	150	117
76.84	210	144	92

Level: 3, プリカーサーm/z: 177.02080

Splash: splash10-014i-9500000000-d8e0b0cb482a7e8e79b7

m/z	Int.	NL	Rel.Int.
68.92	217	108	1000
149.06	77	28	354
70.89	69	106	319
76.81	63	100	290
134.04	31	43	142
146.97	25	30	116
133.07	20	44	94
135.04	17	42	79
106.91	15	70	70
104.54	14	72	62

Level: 3, プリカーサーm/z: 149.00520

Splash: splash10-00di-9000000000-dcbfec33590feda91307

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MSnスペクトル情報

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