ピーク情報

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Peak #8835 MN MID: SE61_S21_M90

m/z: 504.31638, RT: 72.80, 強度: 68736, ログ強度: 1.25, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (8 names) DG(2:0/0:0/6 keto-PGF1alpha);DG(2:0/TXB2/0:0);10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside;DG(2:0/6 keto-PGF1alpha/0:0);DG(2:0/0:0/TXB2);DG(TXB2/2:0/0:0);1-(7Z,10Z,13Z-hexadecatrien...

DBごとのヒット数: ALL 8 KN 1 HM 6 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C25H42O9	486.28288	-0.670	DG(2:0/0:0/6 keto-PGF1alpha)	HMDB: HMDB0296913, HMDB0296914
C25H42O9	486.28288	-0.670	DG(2:0/TXB2/0:0)	HMDB: HMDB0296931
C25H42O9	486.28288	-0.670	10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside	KNApSAcK: C00019369
C25H42O9	486.28288	-0.670	DG(2:0/6 keto-PGF1alpha/0:0)	HMDB: HMDB0296911
C25H42O9	486.28288	-0.670	DG(2:0/0:0/TXB2)	HMDB: HMDB0296933, HMDB0296934
C25H42O9	486.28288	-0.670	DG(TXB2/2:0/0:0)	HMDB: HMDB0296932
C25H42O9	486.28288	-0.670	1-(7Z,10Z,13Z-hexadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol	LipidMAPS: LMGL04010009
C25H42O9	486.28288	-0.670	DG(6 keto-PGF1alpha/2:0/0:0)	HMDB: HMDB0296912

MSnスペクトル情報

Level: 2, プリカーサーm/z: 504.31631

Splash: splash10-014i-0001900000-746d96d1324324c53207

m/z	Int.	NL	Rel.Int.
469.35	1085	35	1000
486.58	345	18	318
325.33	280	179	257
487.32	98	17	90
485.33	83	19	76
307.25	77	197	70

Level: 3, プリカーサーm/z: 469.22238

Splash: splash10-0api-0887900000-5a2f88d68012259c8bc1

m/z	Int.	NL	Rel.Int.
307.20	63	162	1000
415.50	49	54	773
433.32	29	36	466
215.16	28	254	450
233.17	26	236	404
451.19	24	18	379
225.28	20	244	323
145.13	20	324	313
182.98	15	286	242
158.99	15	310	238
249.28	14	220	224
147.45	11	322	179
341.36	11	128	174
185.03	11	284	166
171.06	9	298	144
251.19	9	218	141
195.37	8	274	133
363.29	8	106	122
142.95	7	326	117
337.18	7	132	106

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Flavanone	Dichamanetin
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH, 1OMe)	Flavanone	Exiguaflavanone E
[CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone	Artoindonesianin B
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Caffeoyl))	Flavan 3-ol	Gallocatechin 3-O-caffeate
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(3OH)	Flavan 3-ol	Apocynin A
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone

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	FS2	FS3	共有数
	72.86	525.24572	20.9293	1.03	[M+K]+	(8 names) DG(2:0/0:0/6 keto-PGF1alpha); DG(2:0/TXB2/0:0); 10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside; DG(2:0/6 keto-PGF1alpha/0:0); DG(2:0/0:0/TXB2); DG(TXB2/2:0/0:0); 1-(7Z,10Z,13Z-hexadecatrien...	ALL 8 KN 1 HM 6 LM 1	MS2 MS3			4
	72.88	509.27193	4.9555	0.98	[M+Na]+	(8 names) DG(2:0/0:0/6 keto-PGF1alpha); DG(2:0/TXB2/0:0); 10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside; DG(2:0/6 keto-PGF1alpha/0:0); DG(2:0/0:0/TXB2); DG(TXB2/2:0/0:0); 1-(7Z,10Z,13Z-hexadecatrien...	ALL 8 KN 1 HM 6 LM 1	MS2 MS3	0.100		4
8835	72.80	504.31638	0.0000	1.25	[M+NH4]+	(8 names) DG(2:0/0:0/6 keto-PGF1alpha); DG(2:0/TXB2/0:0); 10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside; DG(2:0/6 keto-PGF1alpha/0:0); DG(2:0/0:0/TXB2); DG(TXB2/2:0/0:0); 1-(7Z,10Z,13Z-hexadecatrien...	ALL 8 KN 1 HM 6 LM 1	MS2 MS3			6
	72.82	487.28987	-17.0265	1.35	[M+H]+	(8 names) DG(2:0/0:0/6 keto-PGF1alpha); DG(2:0/TXB2/0:0); 10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside; DG(2:0/6 keto-PGF1alpha/0:0); DG(2:0/0:0/TXB2); DG(TXB2/2:0/0:0); 1-(7Z,10Z,13Z-hexadecatrien...	ALL 8 KN 1 HM 6 LM 1	MS2 MS3	0.100		3
	72.81	469.27924	-35.0371	1.44	[M-H2O+H]+	(8 names) DG(2:0/0:0/6 keto-PGF1alpha); DG(2:0/TXB2/0:0); 10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside; DG(2:0/6 keto-PGF1alpha/0:0); DG(2:0/0:0/TXB2); DG(TXB2/2:0/0:0); 1-(7Z,10Z,13Z-hexadecatrien...	ALL 8 KN 1 HM 6 LM 1	MS2 MS3 x 2		0.038	5

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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