ピーク情報

シロイヌナズナ　地上部

pos

Peak #12732 MN MID: SE200_S1_M90

m/z: 799.46417, RT: 99.69, 強度: 195209, ログ強度: 1.67, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (2 names) Antibiotic PC 766B;PC 766B

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.120

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
C43H68O12	776.47108	4.983	Antibiotic PC 766B	KNApSAcK: C00016849

MSnスペクトル情報

Level: 2, プリカーサーm/z: 799.46088

Splash: splash10-0006-0000920000-b7834088b53744fd459a

m/z	Int.	NL	Rel.Int.
491.35	49266	308	1000
549.34	15813	250	320
492.44	2672	307	54

Level: 3, プリカーサーm/z: 549.33905

Splash: splash10-003i-0039630000-bb83c3393b4d0d319d40

m/z	Int.	NL	Rel.Int.
387.37	747	162	1000
479.41	418	70	559
331.45	385	218	515
531.38	238	18	317
521.41	177	28	236
467.13	170	82	227
243.18	159	306	213
240.99	157	308	210
369.39	103	180	138
477.47	103	72	137
439.29	97	110	129
505.33	96	44	128
451.54	65	98	87
200.84	58	348	77
506.53	56	43	74
268.98	55	280	73
481.40	53	68	70
493.43	52	56	69
313.06	51	236	68
406.34	41	143	55

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	2'-Hydroxychalcone	3,4-Dihydroxyrottlerin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
[Flavone]-A(1OH, 1OMe, 2(C-Arabinosyl))-B(1OH)	Flavone	Almeidein
[4-substituted Flavan (4-(1-dodecanoyl-2,4,6-trihydroxyphenyl))]-A(1OH)-B(1OH)	4-substituted Flavan	Myristinin A

Level: 3, プリカーサーm/z: 491.32324

Splash: splash10-000l-0691200000-5907977af62ab4578342

m/z	Int.	NL	Rel.Int.
185.02	385	306	1000
241.05	196	250	508
243.06	159	248	412
203.09	91	288	237
435.26	67	56	172
259.28	64	232	166
329.21	58	162	151
474.61	56	17	145
243.97	36	247	92
311.21	29	180	75
401.14	20	90	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.120	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Euchrenone b2
0.080	[Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Dorsilurin A
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)

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	FS2	FS3	共有数
12732	99.69	799.46417	0.0000	1.67	[M+Na]+	(2 names) Antibiotic PC 766B; PC 766B	ALL 1 KN 1	MS2 MS3 x 2		0.120	5
	99.68	794.50702	-4.9571	2.23	[M+NH4]+, [M+C2H7N+H]+	(2 names) Antibiotic PC 766B; PC 766B	ALL 1 KN 1	MS2 MS3			5

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