ピーク情報

イヌカタヒバ

pos

Peak #9149 MN MID: SE205_S02_M90

m/z: 545.38419, RT: 81.78, 強度: 36043, ログ強度: 1.03, アダクト: [M+CH3OH-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (9 names) Phyllofenone C;(+)-Phyllofenone C;Holstinone A;(-)-Holstinone A;Rubianol b;Cordianol F;(+)-Cordianol F;Acinospesigenin A;Guavanoic acid

DBごとのヒット数: ALL 6 KN 6

FlavonoidSearch最大スコア MS2: -, 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
C32H50O6	530.36074	0.998	Phyllofenone C	KNApSAcK: C00046855
C32H50O6	530.36074	0.998	(22E,24R)-25-hydroxy-3,3-dimethoxy-11alpha-acetoxyergosta-7,22-diene-6-one	LipidMAPS: LMST01031341
C32H50O6	530.36074	0.998	Holstinone A	KNApSAcK: C00039378
C32H50O6	530.36074	0.998	7beta-acetoxy-3beta,24S-dihydroxy-9beta,19-cyclolanost-25-en-28-oic acid	LipidMAPS: LMST01100056
C32H50O6	530.36074	0.998	Rubianol b	KNApSAcK: C00031235
C32H50O6	530.36074	0.998	Cordianol F	KNApSAcK: C00044654
C32H50O6	530.36074	0.998	Acinospesigenin A	KNApSAcK: C00044493 LipidMAPS: LMPR0106160001
C32H50O6	530.36074	0.998	Guavanoic acid	KNApSAcK: C00037224
C32H50O6	530.36074	0.998	7beta-acetoxy,3beta,25-dihydroxy-9beta,19-cyclo-lanost-23E-en-28-oic acid	LipidMAPS: LMST01100055

MSnスペクトル情報

Level: 2, プリカーサーm/z: 545.38354

Splash: splash10-004i-0111390000-01835a4a650c7746920f

m/z	Int.	NL	Rel.Int.
527.45	8721	18	1000
211.12	1171	334	134
435.37	1139	110	130
193.10	999	352	114
387.40	986	158	113
471.47	948	74	108
453.36	876	92	100
267.23	504	278	57

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH, 1Geranyl)	2'-Hydroxychalcone	Prorepensin

Level: 3, プリカーサーm/z: 211.11618

Splash: splash10-0006-0900000000-64d6b19a3a160a4324e7

m/z	Int.	NL	Rel.Int.
193.15	712	18	1000
175.03	95	36	133

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: 527.45343

Splash: splash10-0uki-0002910000-9f0e7fcbd927f9fbfef9

m/z	Int.	NL	Rel.Int.
453.39	674	74	1000
435.49	572	92	848
471.44	558	56	828
509.32	489	18	726
301.32	418	226	621
417.46	245	110	363
491.49	122	36	181
473.36	91	54	134
197.16	78	330	115
481.53	78	46	115
407.41	76	120	113
341.23	66	186	97
343.48	61	184	91
415.24	52	112	76
237.03	49	290	72
337.35	48	190	71
265.16	48	262	70
317.19	48	210	70
355.38	47	172	69
348.97	45	178	67

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	2'-Hydroxychalcone	Kurzichalcolactone
[Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	Flavanone	Kurziflavolactone A
[Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	Flavanone	Kurziflavolactone C
[Dihydroflavonol]-A(2OH, 1(3-Hydroxy-3-methylbutyl), 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kosamol A
[Flavan 3-ol]-A(2OH, 1(2,4,6-Trihydroxy-3-isobutyryl-5-methylbenzyl))-B(2OH)	Flavan 3-ol	Pilosanol B
[Flavan 3-ol]-A(2OH, 1(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	Flavan 3-ol	Pilosanol C

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
	81.69	563.39505	18.0109	0.98	[M+CH3OH+H]+	(9 names) Phyllofenone C; (+)-Phyllofenone C; Holstinone A; (-)-Holstinone A; Rubianol b; Cordianol F; (+)-Cordianol F; Acinospesigenin A; Guavanoic acid	ALL 6 KN 6	MS2 MS3			2
9149	81.78	545.38419	0.0000	1.03	[M+CH3OH-H2O+H]+	(9 names) Phyllofenone C; (+)-Phyllofenone C; Holstinone A; (-)-Holstinone A; Rubianol b; Cordianol F; (+)-Cordianol F; Acinospesigenin A; Guavanoic acid	ALL 6 KN 6	MS2 MS3 x 2			5

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