ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #8911 MN MID: SE203_S21_M90

m/z: 747.42957, RT: 91.67, 強度: 6285, ログ強度: 0.32, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (4 names) Torvonin A;Smilanippin A;(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-cellobioside;Trungapeptin B

DBごとのヒット数: ALL 4 KN 1 HM 2 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.115

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
C39H64O12	724.43978	0.790	Torvonin A	HMDB: HMDB0030732
C39H64O12	724.43978	0.790	Smilanippin A	HMDB: HMDB0041354
C39H64O12	724.43978	0.790	(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-cellobioside	LipidMAPS: LMST03020670
C40H60O8N4	724.44111	-1.056	Trungapeptin B	KNApSAcK: C00041949

MSnスペクトル情報

Level: 2, プリカーサーm/z: 747.42963

Splash: splash10-0udr-0000890000-30865c405455b0292ad4

m/z	Int.	NL	Rel.Int.
453.30	1334	294	1000
535.41	1220	212	914
536.45	305	211	228
454.42	214	293	160
519.45	92	228	68

Level: 3, プリカーサーm/z: 535.46002

Splash: splash10-00xr-0009110000-ce173b477860900dac16

m/z	Int.	NL	Rel.Int.
373.43	35	162	1000
317.28	21	218	602
517.66	12	18	350
445.70	4	90	110
243.20	4	292	109
445.09	3	90	97
374.36	3	161	94
475.31	2	60	68
443.48	2	92	60
241.24	2	294	53

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Xylosyl))-B(1OH)	Flavone	6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6,8-Di-C-alpha-L-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6,8-Di-C-beta-D-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH)	Flavone	6-C-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
[Isoflavanone]-A(2OH, 1(C-Glu))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavanone	Dalpanin

Level: 3, プリカーサーm/z: 453.31006

Splash: splash10-0006-0091000000-432049923872932c6a86

m/z	Int.	NL	Rel.Int.
291.19	20	162	1000
241.13	19	212	949
235.20	18	218	937
349.06	5	104	247
243.04	5	210	235
184.96	4	268	195
203.07	3	250	131
259.08	2	194	116
379.48	2	74	87
397.34	2	56	80

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.115	[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
0.042	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
0.000	[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
0.000	[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate