ピーク情報

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Peak #3691 MN MID: SE112_S030221_M90

m/z: 241.14331, RT: 50.01, 強度: 54417, ログ強度: 1.34, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (5 names) 9R-hydroxy-2S,8S-dimethyl-3-oxo-2E,4E-undecadienoic acid;Cucumegastigmane I;(+)-7alpha,8alpha-Epoxyblumenol B;Drummondol;methyl (1R,2R,2'Z)-2-(5'- hydroxy-2?-enyl)-3-oxo-cyclopentane-acetate

DBごとのヒット数: ALL 5 KN 3 LM 2

FlavonoidSearch最大スコア MS2: 0.118, MS3: -

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
C13H20O4	240.13616	-0.506	9R-hydroxy-2S,8S-dimethyl-3-oxo-2E,4E-undecadienoic acid	LipidMAPS: LMFA01020444
C13H20O4	240.13616	-0.506	(4S,10R)-hydroxy-10-methyl-9-oxo-dodec-2-en-1,4-olide	LipidMAPS: LMFA07040176
C13H20O4	240.13616	-0.506	Cucumegastigmane I	KNApSAcK: C00030026
C13H20O4	240.13616	-0.506	(4s)-10-Hydroxy-10-methyl-11-oxo-dodec-2-en-1,4-olide	LipidMAPS: LMFA07040187
C13H20O4	240.13616	-0.506	(+)-7alpha,8alpha-Epoxyblumenol B	KNApSAcK: C00044397
C13H20O4	240.13616	-0.506	Drummondol	KNApSAcK: C00043471
C13H20O4	240.13616	-0.506	methyl (1R,2R,2'Z)-2-(5'- hydroxy-2'-enyl)-3-oxo-cyclopentane-acetate	LipidMAPS: LMFA02020215, LMFA02020218

MSnスペクトル情報

Level: 2, プリカーサーm/z: 241.14319

Splash: splash10-00dj-0890000000-42c07283b3425a597669

m/z	Int.	NL	Rel.Int.
223.06	25134	18	1000
197.10	24413	44	971
205.04	9043	36	359
179.03	4499	62	179
127.04	2135	114	84
137.05	1520	104	60
185.07	1458	56	57

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[2'-Hydroxychalcone]-A(2OH)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxychalcone
0.111	[Flavanone]-A(1OH)-B(none)	Flavanone	7-Hydroxyflavanone
0.071	[Chalcone]-A(none)-B(2OH)	Chalcone	3,4-Dihydroxychalcone
0.071	[Chalcone]-A(1OH)-B(1OH)	Chalcone	3,3'-Dihydroxychalcone
0.071	[Chalcone]-A(1OH)-B(1OH)	Chalcone	4,4'-Dihydroxychalcone
0.056	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	2,2'-Dihydroxychalcone
0.056	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',beta-Dihydroxychalcone

Level: 3, プリカーサーm/z: 197.07295

Splash: splash10-004i-0900000000-4c5b39c82e20efb4baed

m/z	Int.	NL	Rel.Int.
179.08	1118	18	1000
136.89	175	60	156
113.03	153	84	136
161.13	133	36	119
151.10	112	46	100
133.16	94	64	84
109.00	91	88	81
141.05	91	56	81
122.94	84	74	75
127.11	66	70	58
135.08	60	62	53
107.02	59	90	52
110.99	57	86	50

Level: 3, プリカーサーm/z: 223.07333

Splash: splash10-08i0-0920000000-7bac910c381f9b51ec09

m/z	Int.	NL	Rel.Int.
205.06	740	18	1000
177.18	496	46	669
164.98	468	58	632
163.07	297	60	400
126.93	269	96	362
137.06	185	86	249
166.95	126	56	170
144.95	106	78	143
181.23	100	42	134
139.01	84	84	113
149.12	74	74	100
187.11	60	36	81
94.92	47	128	63
161.14	47	62	63
195.26	45	28	60
159.17	38	64	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.190	[Flavone]-A(none)-B(none)	Flavone	Flavone

関連ピーク情報

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	FS2	FS3	共有数
	50.01	282.16967	41.0264	-0.02	[M+ACN+H]+	(5 names) 9R-hydroxy-2S,8S-dimethyl-3-oxo-2E,4E-undecadienoic acid; Cucumegastigmane I; (+)-7alpha,8alpha-Epoxyblumenol B; Drummondol; methyl (1R,2R,2'Z)-2-(5'- hydroxy-2?-enyl)-3-oxo-cyclopentane-acetate	ALL 5 KN 3 LM 2	MS2 MS3			1
3691	50.01	241.14331	0.0000	1.34	[M+H]+	(5 names) 9R-hydroxy-2S,8S-dimethyl-3-oxo-2E,4E-undecadienoic acid; Cucumegastigmane I; (+)-7alpha,8alpha-Epoxyblumenol B; Drummondol; methyl (1R,2R,2'Z)-2-(5'- hydroxy-2?-enyl)-3-oxo-cyclopentane-acetate	ALL 5 KN 3 LM 2	MS2 MS3 x 2	0.118		4

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

関連ピーク情報