ピーク情報

シロイヌナズナ　地上部

pos

Peak #13008 MN MID: SE200_S1_M90

m/z: 799.46297, RT: 100.49, 強度: 298569, ログ強度: 1.85, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 6

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: 0.125

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	3.439	Antibiotic PC 766B	KNApSAcK: C00016849

MSnスペクトル情報

Level: 2, プリカーサーm/z: 799.46033

Splash: splash10-0006-0000940000-7063db0da9b0033e3696

m/z	Int.	NL	Rel.Int.
491.34	105982	308	1000
549.36	38549	250	363
492.34	23127	307	218
550.41	10033	249	94
781.55	9630	18	90
519.46	7640	280	72
523.35	7532	276	71
331.22	6600	468	62
521.31	5743	278	54

Level: 3, プリカーサーm/z: 549.35211

Splash: splash10-0fl0-0037890000-d55280ffc69db1f07816

m/z	Int.	NL	Rel.Int.
521.47	2867	28	1000
451.18	2184	98	761
531.36	1465	18	511
331.22	917	218	319
243.01	825	306	287
387.32	784	162	273
240.92	537	308	187
467.38	472	82	164
355.11	447	194	156
313.24	404	236	140
452.13	358	97	124
394.98	331	154	115
479.38	329	70	114
469.54	326	80	113
259.06	258	290	89
369.46	219	180	76
301.34	204	248	71
353.24	162	196	56
437.23	162	112	56
423.39	144	126	50

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: 491.36218

Splash: splash10-0f6x-0090100000-5fa97e175f0c6dd22412

m/z	Int.	NL	Rel.Int.
243.19	538	248	1000
203.05	379	288	705
259.16	237	232	441
184.98	137	306	254
200.99	128	290	238
474.22	124	17	231
272.96	115	218	213
329.27	87	162	162
447.60	66	44	122
434.94	33	56	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Euchrenone b2
0.083	[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	FS3	共有数
	100.50	815.43752	15.9746	1.66	[M+K]+	(2 names) Antibiotic PC 766B; PC 766B	ALL 1 KN 1	MS2 MS3		6
13008	100.49	799.46297	0.0000	1.85	[M+Na]+	(2 names) Antibiotic PC 766B; PC 766B	ALL 1 KN 1	MS2 MS3 x 2	0.125	6
	100.50	794.50720	-4.9558	2.32	[M+NH4]+, [M+C2H7N+H]+	(2 names) Antibiotic PC 766B; PC 766B	ALL 1 KN 1	MS2 MS3 x 2		5

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MSnスペクトル情報

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