ピーク情報

アボカド生

pos

Peak #13303 MN MID: SE114_S070061_M90

m/z: 311.25798, RT: 96.44, 強度: 2870460, ログ強度: 3.05, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 4

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	-0.269	Avocadene 4-acetate	HMDB: HMDB0031045 LipidMAPS: LMFA05000642
C19H36O4	328.26136	-0.269	MG(16:1(9Z)/0:0/0:0)	HMDB: HMDB0011565, HMDB0243951
C19H36O4	328.26136	-0.269	Avocadene 1-acetate	HMDB: HMDB0031043 LipidMAPS: LMFA05000640, LMFA05000715
C19H36O4	328.26136	-0.269	MG(0:0/16:1(9Z)/0:0)	HMDB: HMDB0011534
C19H36O4	328.26136	-0.269	Avocadene 2-acetate	HMDB: HMDB0031044 LipidMAPS: LMFA05000641
C19H36O4	328.26136	-0.269	Nonadecane-1,19-dioic acid	LipidMAPS: LMFA01170135
C19H36O4	328.26136	-0.269	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: 311.25739

Splash: splash10-0ue9-0190000000-7bcdfe6d1758ffa00074

m/z	Int.	NL	Rel.Int.
251.20	281634	60	1000
233.25	142603	78	506
211.01	35296	100	125
135.10	31407	176	111
121.00	22883	190	81
137.01	16241	174	57

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene B
[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone beta-ol	Ovalitenin B
[Flavone]-A(2OH, 1(2-Oxoethyl))-B(none)	Flavone	6-(2-Oxoethyl)-5,7-dihydroxyflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone A
[Coumestan]-A(1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Flemichapparin C

Level: 3, プリカーサーm/z: 233.25269

Splash: splash10-00dr-0900000000-a3d53390a7423ba26ca3

m/z	Int.	NL	Rel.Int.
121.01	9974	112	1000
135.12	9569	98	959
149.07	5513	84	552
107.04	3215	126	322
163.21	2059	70	206
94.97	2031	138	203
136.98	1753	96	175
150.95	1522	82	152
122.97	1481	110	148
109.05	895	124	89
205.32	704	28	70
177.27	703	56	70
145.49	575	88	57
92.86	557	140	55

Level: 3, プリカーサーm/z: 251.20105

Splash: splash10-008m-2910000000-f8023f3a6e3c53fc2412

m/z	Int.	NL	Rel.Int.
233.23	6901	18	1000
121.09	6676	130	967
135.10	6352	116	920
149.03	4310	102	624
108.93	3677	142	532
93.01	3010	158	436
94.98	2652	156	384
80.90	2253	170	326
96.95	1973	154	285
136.99	1840	114	266
82.92	1687	168	244
182.91	1660	68	240
106.98	1644	144	238
169.14	1601	82	232
110.82	1543	140	223
123.05	1440	128	208
191.13	1230	60	178
155.06	1230	96	178
163.16	862	88	124
150.85	810	100	117

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
13303	96.44	311.25798	0.0000	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
	96.09	293.24754	-18.0104	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	-36.0210	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

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