ピーク情報

トマト Micro-Tom 花

pos

Peak #13286 MN MID: SE203_S31_M90

m/z: 783.46821, RT: 102.29, 強度: 2866, ログ強度: -0.20, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (3 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol;1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehe...

DBごとのヒット数: ALL 3 LM 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C43H68O11	760.47616	3.720	1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol	LipidMAPS: LMGL05010044
C43H68O11	760.47616	3.720	1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehexanoyl)-3-O-beta-D-galactosyl-sn-glycerol	LipidMAPS: LMGL05010059
C43H68O11	760.47616	3.720	1-(9S,13S-12-oxo-11,15Z-phytodienoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-O-(beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL05010027, LMGL05010060

MSnスペクトル情報

Level: 2, プリカーサーm/z: 783.46796

Splash: splash10-0006-0000930000-0e2f63c60bcfba20132d

m/z	Int.	NL	Rel.Int.
491.39	1907	292	1000
533.37	866	250	454
492.39	228	291	119
315.27	148	468	77

Level: 3, プリカーサーm/z: 533.44647

Splash: splash10-014i-0019200000-ce8a33f8ee7051ea0e9d

m/z	Int.	NL	Rel.Int.
315.20	32	218	1000
371.28	14	162	433
355.20	9	178	276
241.15	8	292	239
435.95	8	97	236
465.20	4	68	139
475.44	4	58	137
242.94	3	291	80
374.22	2	159	62
427.22	2	106	58

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Isogemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Gemichalcone C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyrottlerin
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2'',6''-O-diacetate
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(2OMe)	Flavone	6''-O-Acetylisoorientin 7,3',4'-trimethyl ether
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2'',6''-O-diacetate
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 491.34436

Splash: splash10-0006-0290100000-db6b116cedf451e1d2be

m/z	Int.	NL	Rel.Int.
242.95	11	248	1000
242.20	9	249	760
184.87	7	306	643
241.02	6	250	488
435.51	4	56	332
383.20	3	108	263
259.02	2	232	136
418.19	1	73	124

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Dorsilurin A
0.087	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Euchrenone b2
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe)	Flavone	Isoorientin 7,3',4'-trimethyl ether
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(1-(2-Hydroxy-5-methoxycarbonylphenyl)-3-methylbut-2-enyl))-B(none)	Dihydrochalcone	Piperaduncin A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none)	Flavanone	8-Prenyllepidissipyrone
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorinin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Flavanone	Amoridin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Tanariflavanone B
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a6
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 6''-O-acetate
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 2(C-Prenyl))-B(2OH)	3-substituted Flavone	Artelasticin
0.000	[3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Rubraflavone C
0.000	[3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Artocommunol CD
0.000	[Flavone]-A(2OH, 1Farnesyl)-B(2OH)	Flavone	Moralbanone
0.000	[UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone ([2,3:4,3]-(6,6-Dimethyldihydropyrano))]-A(2([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone	Dorsilurin E
0.000	[Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Isoflavone	Orobol 6-C-(6''-acetylglucoside)
0.000	[Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Isoflavone	Orobol 8-C-(6''-acetylglucoside)

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	FS3	共有数
	102.27	799.44152	15.9733	0.18	[M+K]+	(3 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol; 1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehe...	ALL 3 LM 3			6
13286	102.29	783.46821	0.0000	-0.20	[M+Na]+	(3 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol; 1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehe...	ALL 3 LM 3	MS2 MS3 x 2	0.091	7
	102.28	778.51134	-4.9569	0.87	[M+NH4]+, [M+CH5N+H]+	(3 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol; 1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehe...	ALL 3 LM 3			7
	102.27	761.48515	-21.9831	0.65	[M+H]+	(3 names) 1-(12-(1'Z,3'Z-hexadienyloxy)-9Z,11E-dodecadienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-beta-D-galactosyl-sn-glycerol; 1-((9Z,12Z,15Z-octadecatrienoyl)-2-(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-enehe...	ALL 3 LM 3			7