ピーク情報

ピスタチオいり味付け

pos

Peak #3890 MN MID: SE117_S050261_M90

m/z: 228.15941, RT: 64.94, 強度: 1664, ログ強度: -0.18, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (24 names) Crocinervolide;Jasmonic acid;Isoespintanol;6S-hydroxy-2E,4E,8E-dodecatrienoic acid;Isoamyl 2-furonpropionate;Sedanonic acid;Oxyphyllenone B;6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate;Pulchellon;1S-...

DBごとのヒット数: ALL 23 KG 1 KN 11 HM 7 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
C12H18O3	210.12559	-0.054	Crocinervolide	KNApSAcK: C00011374
C12H18O3	210.12559	-0.054	(-)-Jasmonic acid	HMDB: HMDB0032797, HMDB0303804, [-1]HMDB0303939 KEGG: C08491, C16317 KNApSAcK: C00000218, C00000446, C00049053 LipidMAPS: LMFA02020001, LMFA02020003, LMFA02020004, LMFA02020017
C12H18O3	210.12559	-0.054	Isoespintanol	KNApSAcK: C00039439
C12H18O3	210.12559	-0.054	6S-hydroxy-2E,4E,8E-dodecatrienoic acid	LipidMAPS: LMFA01050596
C12H18O3	210.12559	-0.054	Sedanonic acid	HMDB: HMDB0032871
C12H18O3	210.12559	-0.054	Isoamyl 2-furonpropionate	HMDB: HMDB0037735 LipidMAPS: LMFA07010913
C12H18O3	210.12559	-0.054	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate	KNApSAcK: C00022687
C12H18O3	210.12559	-0.054	Oxyphyllenone B	KNApSAcK: C00046258, C00046259
C12H18O3	210.12559	-0.054	Pulchellon	KNApSAcK: C00021989
C12H18O3	210.12559	-0.054	1S-Acetoxy-3-myodesertene	KNApSAcK: C00010632
C12H18O3	210.12559	-0.054	Dihydro-3-(2-octenyl)-2,5-furandione	HMDB: HMDB0033102
C12H18O3	210.12559	-0.054	Placidene E	KNApSAcK: C00045010
C12H18O3	210.12559	-0.054	3-Ethenyl-2,5-dimethyl-4-oxohex-5-en-2-yl acetate	HMDB: HMDB0041573
C12H18O3	210.12559	-0.054	3S,dihydroxy-8-methyl-8E,10-undecadien-5R-olide	LipidMAPS: LMFA07040110
C12H18O3	210.12559	-0.054	2-furanoctanoic acid	LipidMAPS: LMFA01150037
C12H18O3	210.12559	-0.054	Dihydro-3-(1-octenyl)-2,5-furandione	HMDB: HMDB0037816
C12H18O3	210.12559	-0.054	(R)-(+)-Patulolide B	KNApSAcK: C00017770 LipidMAPS: LMFA07040121, LMFA07040123
C12H18O3	210.12559	-0.054	Libanotic acid	KNApSAcK: C00011891
C12H18O3	210.12559	-0.054	6-Acetoxy-trans-pinocarveol	KNApSAcK: C00011035
C12H18O3	210.12559	-0.054	4-(Butoxymethyl)-2-methoxyphenol	HMDB: HMDB0037642
C12H18O3	210.12559	-0.054	1-Benzyloxy-1-(2-methoxyethoxy)ethane	HMDB: HMDB0037135
C12H18O3	210.12559	-0.054	(R)-8-Acetoxycarvotanacetone	HMDB: HMDB0037104
C12H18O3	210.12559	-0.054	2alpha,10beta-Dihydroxyondetianone	KNApSAcK: C00017458

MSnスペクトル情報

Level: 2, プリカーサーm/z: 228.15944

Splash: splash10-03di-0190000000-99ffc5bcf316391a6f58

m/z	Int.	NL	Rel.Int.
211.07	3578	17	1000
210.01	1380	18	385
186.97	315	41	87
184.06	261	44	72

Level: 3, プリカーサーm/z: 211.07452

Splash: splash10-0006-0900000000-d2451f1058e86b2c7790

m/z	Int.	NL	Rel.Int.
193.10	851	18	1000
110.99	343	100	403
100.98	141	110	165
175.09	121	36	141
165.08	108	46	126
137.08	101	74	118
68.91	93	142	109

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydrochalcone]-A(none)-B(none)	Dihydrochalcone	Dihydrochalcone

Level: 3, プリカーサーm/z: 210.07149

Splash: splash10-001i-0900000000-0327b196236b8b16f85f

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.
181.98	131	28	1000
178.09	38	32	292
192.00	28	18	209
150.04	12	60	93
210.16	9	-0	66
126.02	8	84	61
193.22	8	17	60
168.01	7	42	53
95.90	7	114	50