ピーク情報

リーフレタスグリーン

pos

Peak #12308 MN MID: SE198_S12_M90

m/z: 279.15937, RT: 94.40, 強度: 13470, ログ強度: 0.63, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (44 names) Mansonone N;(+)-Mansonone N;Dibutylphthalic acid;Monooctyl phthalate;Pestaloficiol G;Acrostalidic acid;Norbotrydialone acetate;(-)-Norbotrydialone acetate;alpha-CEHC;Tournefolin A;(-)-Tournefolin A;Cy...

DBごとのヒット数: ALL 36 KG 3 KN 24 HM 7 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C16H22O4	278.15181	1.009	Dibutylphthalic acid	HMDB: HMDB0251177
C16H22O4	278.15181	1.009	Mansonone N	KNApSAcK: C00030728
C16H22O4	278.15181	1.009	Monooctyl phthalate	HMDB: HMDB0254869
C16H22O4	278.15181	1.009	Pestaloficiol G	KNApSAcK: C00048051, C00048052
C16H22O4	278.15181	1.009	Acrostalidic acid	KNApSAcK: C00023378
C16H22O4	278.15181	1.009	alpha-CEHC	HMDB: HMDB0001518 LipidMAPS: LMPR02020080
C16H22O4	278.15181	1.009	Norbotrydialone acetate	KNApSAcK: C00046209
C16H22O4	278.15181	1.009	Cytosporone C	KNApSAcK: C00033749
C16H22O4	278.15181	1.009	Stereumin C	KNApSAcK: C00034290, C00034291
C16H22O4	278.15181	1.009	Tournefolin A	KNApSAcK: C00049752
C16H22O4	278.15181	1.009	Emmotin A	KNApSAcK: C00013235 LipidMAPS: LMPR0103200001
C16H22O4	278.15181	1.009	Penicitrinol D	KNApSAcK: C00053653, C00053654
C16H22O4	278.15181	1.009	Ivangulin	KNApSAcK: C00013198
C16H22O4	278.15181	1.009	5,5'-Dibutoxy-2,2'-bifuran	KNApSAcK: C00055289
C16H22O4	278.15181	1.009	Hyrtiosenolide A	KNApSAcK: C00043604
C16H22O4	278.15181	1.009	Hyrtiosenolide B	KNApSAcK: C00043605
C16H22O4	278.15181	1.009	Mono(1-ethylhexyl) phthalate	HMDB: HMDB0245642
C16H22O4	278.15181	1.009	Isoacrostalidic acid	KNApSAcK: C00023410
C16H22O4	278.15181	1.009	3-(2-Ethylhexyl)phthalic acid	HMDB: HMDB0257797
C16H22O4	278.15181	1.009	Boropinol C	KNApSAcK: C00034460
C16H22O4	278.15181	1.009	Methylleptol B	KNApSAcK: C00051566
C16H22O4	278.15181	1.009	Dibutyl phthalate	HMDB: HMDB0033244 KEGG: C14214 KNApSAcK: C00053140
C16H22O4	278.15181	1.009	4-Ethyl-3-hexylphthalic acid	HMDB: HMDB0257583
C16H22O4	278.15181	1.009	(+)-Methyl abscisate	KNApSAcK: C00029305
C16H22O4	278.15181	1.009	2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman	HMDB: HMDB0246646
C16H22O4	278.15181	1.009	Pestaloficiol F	KNApSAcK: C00048050
C16H22O4	278.15181	1.009	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate	KNApSAcK: C00021113
C16H22O4	278.15181	1.009	8-Methoxy-9-O-angeloylthymol	KNApSAcK: C00050763
C16H22O4	278.15181	1.009	Mono-(2-ethylhexyl)phthalate	HMDB: HMDB0013248 KEGG: C03343
C16H22O4	278.15181	1.009	Diisobutyl phthalate	HMDB: HMDB0013835 KEGG: C15205 KNApSAcK: C00055801
C16H22O4	278.15181	1.009	4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester	KNApSAcK: C00022665
C16H22O4	278.15181	1.009	Ligolide	KNApSAcK: C00017302
C16H22O4	278.15181	1.009		LipidMAPS: LMPR02020063
C16H22O4	278.15181	1.009	Mochiquinone	KNApSAcK: C00046829
C16H22O4	278.15181	1.009	3',4'-Dimethoxycinnamyl isovalerate	KNApSAcK: C00036006
C17H18N4	278.15315	-3.800	2-Phenyl-4-piperazin-1-yl-1H-benzimidazole	HMDB: HMDB0258090

MSnスペクトル情報

Level: 2, プリカーサーm/z: 279.15930

Splash: splash10-0udi-0290000000-ed2ce2c0742729481779

m/z	Int.	NL	Rel.Int.
204.84	4164	74	1000
148.92	1024	130	245

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Hydroxyfurano[2'',3'':6,7]aurone
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Chalcone	Ovalitenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-[2'',3'':7,8]furanoflavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	6-Hydroxyfurano[2'',3'':7,8]flavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	Pongaglabol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpene	Neorauteen

Level: 3, プリカーサーm/z: 204.83563

Splash: splash10-0002-0900000000-5a9411ace1dbab9db898

m/z	Int.	NL	Rel.Int.
149.02	28	56	1000
187.25	2	18	78

Level: 3, プリカーサーm/z: 148.91716

Splash: splash10-00di-0900000000-2b11e2f8a1a00d96390c

ピーク情報

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MSnスペクトル情報

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