ピーク情報

パインアップル生

pos

Peak #6634 MN MID: SE117_S070971_M90

m/z: 279.15900, RT: 93.61, 強度: 4015, ログ強度: 0.19, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 40

DB検索結果: (43 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 35 KG 3 KN 24 HM 6 LM 2

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
C16H22O4	278.15181	-0.299	Dibutylphthalic acid	HMDB: HMDB0251177
C16H22O4	278.15181	-0.299	Mansonone N	KNApSAcK: C00030728
C16H22O4	278.15181	-0.299	Monooctyl phthalate	HMDB: HMDB0254869
C16H22O4	278.15181	-0.299	Pestaloficiol G	KNApSAcK: C00048051, C00048052
C16H22O4	278.15181	-0.299	Acrostalidic acid	KNApSAcK: C00023378
C16H22O4	278.15181	-0.299	alpha-CEHC	HMDB: HMDB0001518 LipidMAPS: LMPR02020080
C16H22O4	278.15181	-0.299	Norbotrydialone acetate	KNApSAcK: C00046209
C16H22O4	278.15181	-0.299	Cytosporone C	KNApSAcK: C00033749
C16H22O4	278.15181	-0.299	Stereumin C	KNApSAcK: C00034290, C00034291
C16H22O4	278.15181	-0.299	Tournefolin A	KNApSAcK: C00049752
C16H22O4	278.15181	-0.299	Emmotin A	KNApSAcK: C00013235 LipidMAPS: LMPR0103200001
C16H22O4	278.15181	-0.299	Penicitrinol D	KNApSAcK: C00053653, C00053654
C16H22O4	278.15181	-0.299	Ivangulin	KNApSAcK: C00013198
C16H22O4	278.15181	-0.299	5,5'-Dibutoxy-2,2'-bifuran	KNApSAcK: C00055289
C16H22O4	278.15181	-0.299	Hyrtiosenolide A	KNApSAcK: C00043604
C16H22O4	278.15181	-0.299	Hyrtiosenolide B	KNApSAcK: C00043605
C16H22O4	278.15181	-0.299	Mono(1-ethylhexyl) phthalate	HMDB: HMDB0245642
C16H22O4	278.15181	-0.299	Isoacrostalidic acid	KNApSAcK: C00023410
C16H22O4	278.15181	-0.299	3-(2-Ethylhexyl)phthalic acid	HMDB: HMDB0257797
C16H22O4	278.15181	-0.299	Boropinol C	KNApSAcK: C00034460
C16H22O4	278.15181	-0.299	Methylleptol B	KNApSAcK: C00051566
C16H22O4	278.15181	-0.299	Dibutyl phthalate	HMDB: HMDB0033244 KEGG: C14214 KNApSAcK: C00053140
C16H22O4	278.15181	-0.299	4-Ethyl-3-hexylphthalic acid	HMDB: HMDB0257583
C16H22O4	278.15181	-0.299	(+)-Methyl abscisate	KNApSAcK: C00029305
C16H22O4	278.15181	-0.299	2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman	HMDB: HMDB0246646
C16H22O4	278.15181	-0.299	Pestaloficiol F	KNApSAcK: C00048050
C16H22O4	278.15181	-0.299	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate	KNApSAcK: C00021113
C16H22O4	278.15181	-0.299	8-Methoxy-9-O-angeloylthymol	KNApSAcK: C00050763
C16H22O4	278.15181	-0.299	Mono-(2-ethylhexyl)phthalate	HMDB: HMDB0013248 KEGG: C03343
C16H22O4	278.15181	-0.299	Diisobutyl phthalate	HMDB: HMDB0013835 KEGG: C15205 KNApSAcK: C00055801
C16H22O4	278.15181	-0.299	4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester	KNApSAcK: C00022665
C16H22O4	278.15181	-0.299	Ligolide	KNApSAcK: C00017302
C16H22O4	278.15181	-0.299		LipidMAPS: LMPR02020063
C16H22O4	278.15181	-0.299	Mochiquinone	KNApSAcK: C00046829
C16H22O4	278.15181	-0.299	3',4'-Dimethoxycinnamyl isovalerate	KNApSAcK: C00036006

MSnスペクトル情報

Level: 2, プリカーサーm/z: 279.15860

Splash: splash10-0udi-0190000000-b57b127135747a454679

m/z	Int.	NL	Rel.Int.
204.83	3354	74	1000
148.98	733	130	218
261.24	236	18	70

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: 204.82971

Splash: splash10-0002-0900000000-4c02bebf2a35520a33ed

m/z	Int.	NL	Rel.Int.
148.99	22	56	1000
120.91	5	84	223
123.05	1	82	61

Level: 3, プリカーサーm/z: 148.98331

Splash: splash10-00di-0900000000-478d4351400a5bbd224c

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.
121.01	17	28	1000
107.07	8	42	458
115.96	2	33	127