ピーク情報

イネ　葉　コシヒカリ

pos

Peak #8529 MN MID: SE199_S31_M90

m/z: 529.38910, RT: 92.18, 強度: 16550, ログ強度: 0.67, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (23 names) Trioctyl trimellitate;DG(10:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0);DG(10:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0);DG(10:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0);DG(10:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0);DG(10:0/0:0/...

DBごとのヒット数: ALL 23 KN 1 HM 21 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.133

DB検索結果

ppm

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
C33H54O6	546.39204	0.637	Trioctyl trimellitate	HMDB: HMDB0259250
C33H54O6	546.39204	0.637	DG(10:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)	HMDB: HMDB0294497
C33H54O6	546.39204	0.637	DG(10:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0)	HMDB: HMDB0294537
C33H54O6	546.39204	0.637	DG(10:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)	HMDB: HMDB0294533
C33H54O6	546.39204	0.637	DG(10:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0)	HMDB: HMDB0294501
C33H54O6	546.39204	0.637	DG(10:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))	HMDB: HMDB0294527, HMDB0294528
C33H54O6	546.39204	0.637	DG(10:0/0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))	HMDB: HMDB0294535, HMDB0294536
C33H54O6	546.39204	0.637	DG(10:0/0:0/20:4(6E,8Z,11Z,14Z)+=O(5))	HMDB: HMDB0294499, HMDB0294500
C33H54O6	546.39204	0.637	DG(10:0/0:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))	HMDB: HMDB0294539, HMDB0294540
C33H54O6	546.39204	0.637	3,5,6-Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid	HMDB: HMDB0257576
C33H54O6	546.39204	0.637	Oogoniol 1	KNApSAcK: C00023817
C33H54O6	546.39204	0.637	DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/10:0/0:0)	HMDB: HMDB0294530
C33H54O6	546.39204	0.637	DG(20:4(6E,8Z,11Z,14Z)+=O(5)/10:0/0:0)	HMDB: HMDB0294498
C33H54O6	546.39204	0.637	DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/10:0/0:0)	HMDB: HMDB0294526
C33H54O6	546.39204	0.637	DG(10:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0)	HMDB: HMDB0294525
C33H54O6	546.39204	0.637	DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/10:0/0:0)	HMDB: HMDB0294538
C33H54O6	546.39204	0.637	DG(20:4(5Z,8Z,11Z,13E)+=O(15)/10:0/0:0)	HMDB: HMDB0294502
C33H54O6	546.39204	0.637	DG(10:0/0:0/20:4(5Z,8Z,11Z,13E)+=O(15))	HMDB: HMDB0294503, HMDB0294504
C33H54O6	546.39204	0.637	DG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/10:0/0:0)	HMDB: HMDB0294534
C33H54O6	546.39204	0.637	cholest-5,24-dien-3beta-yl beta-D-glucopyranoside	LipidMAPS: LMST01010348
C33H54O6	546.39204	0.637	DG(10:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))	HMDB: HMDB0294531, HMDB0294532
C33H54O6	546.39204	0.637	DG(10:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0)	HMDB: HMDB0294529
C33H54O6	546.39204	0.637	1-O,4-O-Bis[(2S)-2-ethylhexyl] 2-O-[(2R)-2-ethylhexyl] benzene-1,2,4-tricarboxylate	HMDB: HMDB0246163

MSnスペクトル情報

Level: 2, プリカーサーm/z: 529.38885

Splash: splash10-03dr-0000930000-717fead6cb0340d0ff32

m/z	Int.	NL	Rel.Int.
511.45	1685	18	1000
437.43	1479	92	877
455.47	771	74	457
419.45	649	110	385
473.52	414	56	245
475.39	282	54	167
195.07	249	334	147
493.46	241	36	143
311.34	103	218	60
199.13	102	330	60
457.52	94	72	55
409.48	92	120	54
213.22	92	316	54
339.43	90	190	53
337.20	88	192	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Neolinderachalcone
0.000	[Flavanone]-A(2OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Neolinderatone

Level: 3, プリカーサーm/z: 437.40375

Splash: splash10-014i-0115900000-d5b1fa1cb5adac01d4d7

m/z	Int.	NL	Rel.Int.
419.42	356	18	1000
341.30	43	96	119
395.20	39	42	109
325.23	28	112	78
339.13	27	98	75
281.25	25	156	70
349.39	25	88	70
154.81	23	283	65
391.38	22	46	62
267.15	22	170	60
311.25	21	126	57
196.96	18	240	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.133	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Methoxylupalbigenin
0.133	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	6,8-Diprenylpratensein
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	Orotinichalcone
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(1OH)	Dihydrochalcone	Nothofagin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydrochalcone alpha-ol	Coatline A
0.000	[Dihydrochalcone beta-ol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydrochalcone beta-ol	Pterosupin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl))	Flavanone	Lespedezaflavanone G
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl))	Flavanone	Lespedezaflavanone F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	3'-Methoxylupinifolin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	Fleminone
0.000	[Flavanone]-A(1OH, 2OMe, 1(2,5-Dihydroxybenzyl))-B(none)	Flavanone	Macrophyllol A (flavone)
0.000	[Flavone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavone	Cannflavin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Artocarpin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(C-Prenyl))	Flavone	Artobilichromene
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	Artonin E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin J
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-Methoxyminimiflorin
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-O-methyllupinifolinol
0.000	[Dihydroflavonol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
0.000	[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon A
0.000	[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon M
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussonol B
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussonol A
0.000	[Flavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavonol	Petalopurpurenol
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]catechin-8-one
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Cinnamoyl))	Flavan 3-ol	Gallocatechin 3-O-cinnamate
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 4-ol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 4-ol	4,6'-Epoxyorotiniflavan-4-ol
0.000	[Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Isoflavone	1'',2''-Dihydro-O-methylcyclopomiferin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Lupinisoflavone K
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone L
0.000	[Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Isoflavone	1'',2''-Dihydro-2'-hydroxycycloosajin
0.000	[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	2'-O-Methylcajanone
0.000	[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Coumaranochromon	Euchretin B
0.000	[alpha-Phenyldihydrocoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	alpha-Phenyldihydrocoumarinic acid	Chapelieric acid methyl ester

Level: 3, プリカーサーm/z: 511.47900

Splash: splash10-000l-0011900000-1c5b0eb296028d72dfb9

m/z	Int.	NL	Rel.Int.
437.40	185	74	1000
493.40	121	18	652
419.47	84	92	454
475.39	71	36	381
455.58	60	56	326
213.19	28	298	153
343.39	19	168	103
355.35	16	156	86
457.74	15	54	79
339.49	13	172	70
391.36	13	120	70
483.37	13	28	68
295.47	12	216	65
364.25	12	147	64
209.21	12	302	63
194.86	12	317	62
275.28	11	236	60
169.11	11	342	59
291.50	11	220	58
241.21	11	270	58