ピーク情報

シロイヌナズナ　地上部

pos

Peak #13076 MN MID: SE200_S1_M90

m/z: 559.40090, RT: 100.74, 強度: 210252, ログ強度: 1.70, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: (3 names) 18-Deoxyleucopaxillone A;(+)-18-Deoxyleucopaxillone A;3beta,11alpha-Diacetoxy-13beta-hydroxyolean-12-one

DBごとのヒット数: ALL 2 KN 2

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
C34H54O6	558.39204	2.832	18-Deoxyleucopaxillone A	KNApSAcK: C00041251
C34H54O6	558.39204	2.832	3beta,11alpha-Diacetoxy-13beta-hydroxyolean-12-one	KNApSAcK: C00036538

Level: 2, プリカーサーm/z: 559.40009

Splash: splash10-0006-0000190000-e89b948f0c27b0421b86

m/z	Int.	NL	Rel.Int.
541.43	11435	18	1000
485.42	810	74	70
467.50	726	92	63
523.41	582	36	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavonol]-A(2OH, 1((-)-6-((2E)-5-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl)))-B(1OH)	Flavonol	Denticulaflavonol

Level: 3, プリカーサーm/z: 541.40729

Splash: splash10-0081-0111920000-be97edecd5e0fe960b9e

m/z	Int.	NL	Rel.Int.
485.47	180	56	1000
523.46	128	18	712
449.38	128	92	711
467.35	118	74	655
431.47	93	110	518
487.31	57	54	316
505.54	53	36	294
381.57	27	160	148
273.26	22	268	122
421.13	22	120	122
353.48	21	188	114
195.54	18	346	102
171.15	18	370	97
199.14	17	342	96
263.05	17	278	93
182.59	15	359	83
315.26	14	226	78
291.12	14	250	78
249.72	14	292	77
365.25	13	176	70

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(8a-Hydroxy-4-phenyl-6,6,8,8-tetramethyl-5,7-dioxy-4,4a,8,8a-tetrahydrochromeno)))-B(none)	Flavanone	Leucadenone A
0.000	[Flavan 3-ol]-A(2OH, 1(2,4,6-Trihydroxy-3-methyl-5-(2-methylbutyryl)benzyl))-B(2OH)	Flavan 3-ol	Pilosanol A

Level: 3, プリカーサーm/z: 485.44061

Splash: splash10-00kb-0014900000-ea8972ac0421d9f44a06

m/z	Int.	NL	Rel.Int.
467.40	118	18	1000
449.42	95	36	804
337.44	30	148	255
297.52	28	188	237
313.53	22	172	184
339.51	16	146	132
393.56	12	92	99
140.98	11	344	95
305.65	11	180	93
279.05	9	206	74
431.61	8	54	66
211.04	8	274	63
375.53	7	110	61
333.35	7	152	59
184.80	7	301	57
429.31	6	56	54
354.59	6	131	51

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(2OH, 1OMe, 1(2x2-hydroxybenzyl))-B(none)	Dihydrochalcone	Angoluvarin
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Dihydrochalcone	Diuvaretin
[Flavanone]-A(1OH, 1(1(O-Cinnamoyl)-2,2-Dimethyl-3-hydroxytetrahydro-4-furanyl))-B(none)	Flavanone	Tephrorin B

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
13076	100.74	559.40090	0.0000	1.70	[M+H]+	(3 names) 18-Deoxyleucopaxillone A; (+)-18-Deoxyleucopaxillone A; 3beta,11alpha-Diacetoxy-13beta-hydroxyolean-12-one	ALL 2 KN 2	MS2 MS3 x 2			11
	100.69	541.39012	-18.0108	1.07	[M-H2O+H]+	(3 names) 18-Deoxyleucopaxillone A; (+)-18-Deoxyleucopaxillone A; 3beta,11alpha-Diacetoxy-13beta-hydroxyolean-12-one	ALL 2 KN 2				10