ピーク情報

パセリ葉生

pos

Peak #9936 MN MID: SE119_S062391_M90

m/z: 193.12233, RT: 78.93, 強度: 18082, ログ強度: 0.69, 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: (41 names) Benzyl 3-methylbutanoate;2-Methyl-1-phenyl-2-propanyl acetate;Thymyl acetate;4-Methylphenyl 3-methylbutanoate;1-Ethoxy-2-methoxy-4-(1-propenyl)benzene;Carquejol acetate;2-Ethoxy-1-methoxy-4-(1-propeny...

DBごとのヒット数: ALL 39 KG 4 KN 8 HM 23 LM 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
C12H16O2	192.11503	0.114	Benzyl 3-methylbutanoate	HMDB: HMDB0032043
C12H16O2	192.11503	0.114	2-Methyl-1-phenyl-2-propanyl acetate	HMDB: HMDB0031571
C12H16O2	192.11503	0.114	Thymyl acetate	HMDB: HMDB0303499 KEGG: C09909 KNApSAcK: C00003065
C12H16O2	192.11503	0.114	4-Methylphenyl 3-methylbutanoate	HMDB: HMDB0037709
C12H16O2	192.11503	0.114	1-Ethoxy-2-methoxy-4-(1-propenyl)benzene	HMDB: HMDB0037792
C12H16O2	192.11503	0.114	2-Ethoxy-1-methoxy-4-(1-propenyl)benzene	HMDB: HMDB0039496
C12H16O2	192.11503	0.114	cis-Ligustilide	HMDB: HMDB0302235
C12H16O2	192.11503	0.114	Carquejol acetate	KNApSAcK: C00010977
C12H16O2	192.11503	0.114	2-Methylbutyl benzoate	KNApSAcK: C00055629
C12H16O2	192.11503	0.114	2-Benzyl-4,5-dimethyl-1,3-dioxolane	HMDB: HMDB0039841
C12H16O2	192.11503	0.114	Pentyl benzoate	HMDB: HMDB0303724
C12H16O2	192.11503	0.114	2-Methylpropyl phenylacetate	HMDB: HMDB0035010
C12H16O2	192.11503	0.114	2-(2-Hydroxy-4-methylphenyl)-3-pentanone	HMDB: HMDB0038180
C12H16O2	192.11503	0.114	ethyl 4-phenylbutanoate	HMDB: HMDB0031618 LipidMAPS: LMFA07010871
C12H16O2	192.11503	0.114	4-Phenyl-2-butyl acetate	HMDB: HMDB0031614
C12H16O2	192.11503	0.114	7-Deoxonarchinol A	KNApSAcK: C00021035
C12H16O2	192.11503	0.114	3-Methylbutyl benzoate	HMDB: HMDB0033380
C12H16O2	192.11503	0.114	Carvacryl acetate	HMDB: HMDB0035447 KNApSAcK: C00053118
C12H16O2	192.11503	0.114	Norpechuelone	KNApSAcK: C00021051
C12H16O2	192.11503	0.114	Butyl phenylacetate	HMDB: HMDB0040427 KNApSAcK: C00054069
C12H16O2	192.11503	0.114	11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid	HMDB: HMDB0039643
C12H16O2	192.11503	0.114	3-Phenylpropyl propanoate	HMDB: HMDB0036388
C12H16O2	192.11503	0.114	4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI	HMDB: HMDB0037165
C12H16O2	192.11503	0.114	2-Phenylethyl butanoate	HMDB: HMDB0035014
C12H16O2	192.11503	0.114	11,12,13-Trinor-4-amorphene-3,8-dione	KNApSAcK: C00020203
C12H16O2	192.11503	0.114	2-Phenylethyl 2-methylpropanoate	HMDB: HMDB0035015
C12H16O2	192.11503	0.114	11,12,13-Trinor-1(10)-spirovetivene-2,7-dione	HMDB: HMDB0036734
C12H16O2	192.11503	0.114	2E,4E,8Z,10E-dodecatetraenoic acid	LipidMAPS: LMFA01030240
C12H16O2	192.11503	0.114	Benzyl 2-methylbutanoate	HMDB: HMDB0303579
C12H16O2	192.11503	0.114	1-Phenylethyl butyrate	HMDB: HMDB0037717
C12H16O2	192.11503	0.114	Ibufenac	HMDB: HMDB0253333
C12H16O2	192.11503	0.114	(2E,5S,6E,8E,10E)-5-Hydroxydodeca-2,6,8,10-tetraenal	KEGG: C22087
C12H16O2	192.11503	0.114	2E,6E,8E,10E-dodecatetraenoic acid	LipidMAPS: LMFA01030241, LMFA01030242
C12H16O2	192.11503	0.114	Sedanonic acid lactone	HMDB: HMDB0302271 KEGG: C17875 KNApSAcK: C00054187
C12H16O2	192.11503	0.114	Senkyunolide	HMDB: HMDB0258235 KEGG: C17853 KNApSAcK: C00031368
C12H16O2	192.11503	0.114	Cuminyl acetate	KNApSAcK: C00036969
C12H16O2	192.11503	0.114	5,11-dodecadiynoic acid	LipidMAPS: LMFA01030464
C12H16O2	192.11503	0.114	1-Phenylethyl isobutyrate	HMDB: HMDB0037716
C12H16O2	192.11503	0.114	Tert-butyl 4-methylbenzoate	HMDB: HMDB0258839

MSnスペクトル情報

Level: 2, プリカーサーm/z: 193.12210

Splash: splash10-0002-0900000000-c0813d4e24cfc694cc76

m/z	Int.	NL	Rel.Int.
147.10	217906	46	1000
175.03	95244	18	437
136.98	42060	56	193
105.04	19603	88	89
165.01	12469	28	57

Level: 3, プリカーサーm/z: 175.03362

Splash: splash10-0002-0900000000-8118421518fbe10a0d36

m/z	Int.	NL	Rel.Int.
147.13	52315	28	1000
105.03	5003	70	95
157.06	3738	18	71

Level: 3, プリカーサーm/z: 147.09573

Splash: splash10-0aor-2900000000-9d800f03c7fefa3e39bb

m/z	Int.	NL	Rel.Int.
105.06	48391	42	1000
119.00	29440	28	608
90.96	16237	56	335
80.95	6995	66	144

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	共有数
	78.88	234.14889	41.0266	0.69	[M+ACN+H]+	(41 names) Benzyl 3-methylbutanoate; 2-Methyl-1-phenyl-2-propanyl acetate; Thymyl acetate; 4-Methylphenyl 3-methylbutanoate; 1-Ethoxy-2-methoxy-4-(1-propenyl)benzene; Carquejol acetate; 2-Ethoxy-1-methoxy-4-(1-propeny...	ALL 39 KG 4 KN 8 HM 23 LM 4	MS2 MS3	1
9936	78.93	193.12233	0.0000	0.69	[M+H]+	(41 names) Benzyl 3-methylbutanoate; 2-Methyl-1-phenyl-2-propanyl acetate; Thymyl acetate; 4-Methylphenyl 3-methylbutanoate; 1-Ethoxy-2-methoxy-4-(1-propenyl)benzene; Carquejol acetate; 2-Ethoxy-1-methoxy-4-(1-propeny...	ALL 39 KG 4 KN 8 HM 23 LM 4	MS2 MS3 x 2	1
	78.90	175.11174	-18.0106	-0.39	[M-H2O+H]+	(41 names) Benzyl 3-methylbutanoate; 2-Methyl-1-phenyl-2-propanyl acetate; Thymyl acetate; 4-Methylphenyl 3-methylbutanoate; 1-Ethoxy-2-methoxy-4-(1-propenyl)benzene; Carquejol acetate; 2-Ethoxy-1-methoxy-4-(1-propeny...	ALL 39 KG 4 KN 8 HM 23 LM 4		1

ピーク情報

DB検索結果

MSnスペクトル情報

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