ピーク情報

アボカド生

pos

Peak #13256 MN MID: SE114_S070061_M90

m/z: 293.24754, RT: 96.09, 強度: 426271, ログ強度: 2.22, アダクト: [M-2(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (7 names) Avocadene 4-acetate;Avocadene 1-acetate;MG(16:1(9Z)/0:0/0:0);MG(0:0/16:1(9Z)/0:0);Nonadecane-1,19-dioic acid;Avocadene 2-acetate;Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate

DBごとのヒット数: ALL 7 HM 3 LM 4

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
C19H36O4	328.26136	0.090	Avocadene 4-acetate	HMDB: HMDB0031045 LipidMAPS: LMFA05000642
C19H36O4	328.26136	0.090	MG(16:1(9Z)/0:0/0:0)	HMDB: HMDB0011565, HMDB0243951
C19H36O4	328.26136	0.090	Avocadene 1-acetate	HMDB: HMDB0031043 LipidMAPS: LMFA05000640, LMFA05000715
C19H36O4	328.26136	0.090	MG(0:0/16:1(9Z)/0:0)	HMDB: HMDB0011534
C19H36O4	328.26136	0.090	Avocadene 2-acetate	HMDB: HMDB0031044 LipidMAPS: LMFA05000641
C19H36O4	328.26136	0.090	Nonadecane-1,19-dioic acid	LipidMAPS: LMFA01170135
C19H36O4	328.26136	0.090	Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate	HMDB: HMDB0246127

MSnスペクトル情報

Level: 2, プリカーサーm/z: 293.24731

Splash: splash10-03di-0940000000-9f903af89364fa2f2c96

m/z	Int.	NL	Rel.Int.
112.92	34918	180	1000
275.29	15395	18	440
219.27	11713	74	335
257.28	7991	36	228
94.85	6403	198	183
121.01	3923	172	112
135.06	3293	158	94
217.21	3234	76	92
175.11	3009	118	86
133.00	2818	160	80
122.89	2557	170	73
149.03	2543	144	72
109.04	2423	184	69
163.03	2303	130	65
161.05	2124	132	60
147.01	2002	146	57
144.97	1877	148	53
119.07	1811	174	51
137.07	1807	156	51
173.12	1779	120	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Methoxyfurano[2'',3'':6,7]aurone
[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-(alpha-oxobenzyl)benzofuran	Derriobtusone A
[alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none)	alpha-substituted Chalcone	Purpuritenin B
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl)	Chalcone	Purpuritenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Pongone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Cauliflorin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Glabone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Kanjone
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Pinnatin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Karanjin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Ponganone XI

Level: 3, プリカーサーm/z: 112.97070

Splash: splash10-0006-9000000000-57030fe91dc7c1c767ce

m/z	Int.	NL	Rel.Int.
94.91	5992	18	1000

Level: 3, プリカーサーm/z: 275.28467

Splash: splash10-0ac0-0960000000-cf809c2b84c565a671d2

m/z	Int.	NL	Rel.Int.
257.27	715	18	1000
144.95	331	130	462
172.88	321	102	448
187.16	320	88	447
205.19	292	70	407
231.25	286	44	399
131.10	266	144	371
121.07	265	154	370
201.30	213	74	297
83.17	209	192	291
159.12	203	116	284
123.06	202	152	281
233.06	135	42	189
132.85	126	142	176
161.19	124	114	172
203.15	122	72	169
219.18	116	56	162
109.04	107	166	149
147.14	106	128	148
193.17	97	82	134

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.042	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

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	共有数
	96.44	311.25798	18.0104	3.05	[M-H2O+H]+	(7 names) Avocadene 4-acetate; Avocadene 1-acetate; MG(16:1(9Z)/0:0/0:0); MG(0:0/16:1(9Z)/0:0); Nonadecane-1,19-dioic acid; Avocadene 2-acetate; Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate	ALL 7 HM 3 LM 4	MS2 MS3 x 2	4
13256	96.09	293.24754	0.0000	2.22	[M-2(H2O)+H]+	(7 names) Avocadene 4-acetate; Avocadene 1-acetate; MG(16:1(9Z)/0:0/0:0); MG(0:0/16:1(9Z)/0:0); Nonadecane-1,19-dioic acid; Avocadene 2-acetate; Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate	ALL 7 HM 3 LM 4	MS2 MS3 x 2	1
	95.97	275.23700	-18.0105	0.65	[M-3(H2O)+H]+	(7 names) Avocadene 4-acetate; Avocadene 1-acetate; MG(16:1(9Z)/0:0/0:0); MG(0:0/16:1(9Z)/0:0); Nonadecane-1,19-dioic acid; Avocadene 2-acetate; Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate	ALL 7 HM 3 LM 4		1

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MSnスペクトル情報

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