ピーク情報

こむぎ［パン類］食パン

pos

Peak #6901 MN MID: SE112_S010261_M90

m/z: 213.14858, RT: 61.94, 強度: 75200, ログ強度: 1.49, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 21

DB検索結果: (34 names) 12-hydroxy-3Z,6Z-dodecadienoic acid;3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran;2,2,6-Trimethyl-2-vinyl-5-acetoxytetrahydropyran;MKN-003B;8-Hydroxy-4,8-dimethyl-4E,9-decadienoic acid;8-oxo-3,7-Di...

DBごとのヒット数: ALL 30 KG 4 KN 17 HM 2 LM 7

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
C12H20O3	212.14124	0.268	12-hydroxy-3Z,6Z-dodecadienoic acid	LipidMAPS: LMFA01050171
C12H20O3	212.14124	0.268	3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran	KNApSAcK: C00010326
C12H20O3	212.14124	0.268	MKN-003B	KNApSAcK: C00046160
C12H20O3	212.14124	0.268	8-Hydroxy-4,8-dimethyl-4E,9-decadienoic acid	LipidMAPS: LMFA01050373
C12H20O3	212.14124	0.268	8-oxo-3,7-Dimethyl-6E-octenyl acetate	LipidMAPS: LMFA07010190
C12H20O3	212.14124	0.268	ethyl-6S-hydroxy-2E,4E-decadienoate	LipidMAPS: LMFA07011182
C12H20O3	212.14124	0.268	3,7-Dimethyl-2,5-octadiene-1,7-diol	KNApSAcK: C00010295
C12H20O3	212.14124	0.268	Putaminoxin	KEGG: C08509
C12H20O3	212.14124	0.268	6S-hydroxy-2E,4E-dodecadienoic acid	LipidMAPS: LMFA01050595
C12H20O3	212.14124	0.268	(-)Helicascolide B	KNApSAcK: C00023728, C00023729
C12H20O3	212.14124	0.268	12-Oxo-9(Z)-dodecenoic acid	HMDB: [-1]HMDB0303984 KEGG: C16311 LipidMAPS: LMFA01060167
C12H20O3	212.14124	0.268	3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate	HMDB: HMDB0041572
C12H20O3	212.14124	0.268	7-oxo-11-Dodecenoic acid	LipidMAPS: LMFA01060182
C12H20O3	212.14124	0.268	cis-(+)-2-(Ethoxymethyl)-4-hydroxy-5-(1-methylethyl)-2-cyclohexen	KNApSAcK: C00010818
C12H20O3	212.14124	0.268	6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate	KNApSAcK: C00022685
C12H20O3	212.14124	0.268	Nontrial	HMDB: HMDB0255710
C12H20O3	212.14124	0.268	Putaminoxin	KNApSAcK: C00001321
C12H20O3	212.14124	0.268	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol	KNApSAcK: C00010367
C12H20O3	212.14124	0.268	Modiolin	KNApSAcK: C00044936
C12H20O3	212.14124	0.268	Vulgarole	HMDB: HMDB0035085 KNApSAcK: C00011014
C12H20O3	212.14124	0.268	Herbarumin III	KNApSAcK: C00034534
C12H20O3	212.14124	0.268	Cucurbic acid	HMDB: HMDB0029388 KEGG: C08482 KNApSAcK: C00000234, C00001305 LipidMAPS: LMFA02020013
C12H20O3	212.14124	0.268	Traumatin	HMDB: HMDB0037326 KEGG: C16309 LipidMAPS: LMFA01060093, LMFA01060094
C12H20O3	212.14124	0.268	[4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone	KNApSAcK: C00013222
C12H20O3	212.14124	0.268	(+)-Patulolide C	KNApSAcK: C00017771 LipidMAPS: LMFA07040122
C12H20O3	212.14124	0.268	(2S-cis)-5-(Acetyloxy)-5-methyl-2-(1-methylethyl)-cyclohexanone	KNApSAcK: C00010847
C12H20O3	212.14124	0.268	9,10-Dihydrojasmonic acid	HMDB: HMDB0033601 KNApSAcK: C00000225 LipidMAPS: LMFA02020005, LMFA02020006, LMFA02020204, LMFA02020205
C12H20O3	212.14124	0.268	6-Hydroxy-7(9)-dehydro-6,7-dihydroneryl acetate	KNApSAcK: C00022689
C12H20O3	212.14124	0.268	1,2-Epoxymenthyl acetate	HMDB: HMDB0302747 KNApSAcK: C00036373
C12H20O3	212.14124	0.268	10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid	LipidMAPS: LMFA01030787

MSnスペクトル情報

Level: 2, プリカーサーm/z: 213.14861

Splash: splash10-0002-0900000000-dc506e48a44fd8f1eedd

m/z	Int.	NL	Rel.Int.
195.10	44882	18	1000

Level: 3, プリカーサーm/z: 195.03389

Splash: splash10-004i-0900000000-fa083012c28ee1773a02

m/z	Int.	NL	Rel.Int.
177.14	1832	18	1000
149.08	904	46	493
159.12	708	36	386
135.07	390	60	212
133.03	314	62	171
94.99	117	100	64
130.98	104	64	56
98.93	97	96	53

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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