ピーク情報

よもぎ葉生

pos

Peak #10956 MN MID: SE116_S063011_M90

m/z: 273.25774, RT: 101.75, 強度: 13835, ログ強度: 0.66, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (71 names) (Z)-Biformene;;Levopimaradiene;Valpara-2,15-diene;;1S-Verticillene;p-Camphorene;Trachylobane;Labda-7,13(16),14-triene;neo-Cembrene;Neocembrene;(-)-Spiroviolene;(1S,4S,9R,10S,13R,14R)-5,5,9,14-Tetramet...

DBごとのヒット数: ALL 64 KG 35 KN 23 HM 1 LM 5

FlavonoidSearch最大スコア MS2: 0.179, MS3: -

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
C20H32	272.25040	0.234	(12E)-Labda-8(17),12,14-triene	KEGG: C21729, C20185 KNApSAcK: C00022775, C00055588
C20H32	272.25040	0.234		LipidMAPS: LMPR0104280001
C20H32	272.25040	0.234	Levopimaradiene	KEGG: C11879 KNApSAcK: C00053426 LipidMAPS: LMPR0104050007
C20H32	272.25040	0.234	Valpara-2,15-diene	KNApSAcK: C00049321
C20H32	272.25040	0.234		LipidMAPS: LMPR0104480002
C20H32	272.25040	0.234	1S-Verticillene	KNApSAcK: C00000865
C20H32	272.25040	0.234	(R)-Axinyssene	KEGG: C22615
C20H32	272.25040	0.234	p-Camphorene	HMDB: HMDB0036852 KNApSAcK: C00054831, C00056036
C20H32	272.25040	0.234	Trachylobane	KNApSAcK: C00053837
C20H32	272.25040	0.234	Labda-7,13(16),14-triene	KEGG: C21728
C20H32	272.25040	0.234	Neocembrene	KEGG: C09140 KNApSAcK: C00003458 LipidMAPS: LMPR0104190001
C20H32	272.25040	0.234	(-)-Spiroviolene	KEGG: C21661
C20H32	272.25040	0.234	(1S,4S,9R,10S,13R,14R)-5,5,9,14-Tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-6-ene	HMDB: HMDB0260107
C20H32	272.25040	0.234	Hydropyrene	KEGG: C22108
C20H32	272.25040	0.234	Phomopsene	KEGG: C22896
C20H32	272.25040	0.234	Pimaradiene	HMDB: HMDB0036751, HMDB0301827 KEGG: C06086, C11877, C18228 KNApSAcK: C00000883, C00042933, C00048512 LipidMAPS: LMPR0104080001, LMPR0104080004
C20H32	272.25040	0.234	3(18),12-Cyathadiene	KNApSAcK: C00054718
C20H32	272.25040	0.234	Stemar-13-ene	HMDB: HMDB0301828 KEGG: C18223 KNApSAcK: C00000897 LipidMAPS: LMPR0104030008
C20H32	272.25040	0.234	ent-Beyerene	KEGG: C22911 KNApSAcK: C00053064, C00055913 LipidMAPS: LMPR0104140001
C20H32	272.25040	0.234	(+)-1,5-Cyclo-5,8,9,10-tetrahydroerogorgiaene	KNApSAcK: C00034983
C20H32	272.25040	0.234		LipidMAPS: LMPR0104220001
C20H32	272.25040	0.234	Sclarene	KNApSAcK: C00000882, C00000893
C20H32	272.25040	0.234	Cycloaraneosene	KEGG: C21726 KNApSAcK: C00000507
C20H32	272.25040	0.234	Labda-7,12(E),14-triene	KNApSAcK: C00041027
C20H32	272.25040	0.234	Isocembrene	KNApSAcK: C00053352
C20H32	272.25040	0.234	Isopimara-8,15-diene	KNApSAcK: C00000890, C00048437
C20H32	272.25040	0.234	Cembrene C	KEGG: C20922
C20H32	272.25040	0.234	Aphidicol-15-ene	KEGG: C11892
C20H32	272.25040	0.234	Isoelisabethatriene	KEGG: C22110
C20H32	272.25040	0.234	Terpentetriene	KEGG: C19814
C20H32	272.25040	0.234	Ineleganene	KNApSAcK: C00047051
C20H32	272.25040	0.234	Phomacta-1(14),3,7-triene	KNApSAcK: C00016812
C20H32	272.25040	0.234	ent-Atiserene	KEGG: C21711 KNApSAcK: C00000879 LipidMAPS: LMPR0104150004
C20H32	272.25040	0.234	(-)-Abietadiene	KEGG: C11878 KNApSAcK: C00000868, C00000878, C00007631 LipidMAPS: LMPR0104050002
C20H32	272.25040	0.234	Pseudolaratriene	KEGG: C21706
C20H32	272.25040	0.234	Allokutznerene	KEGG: C22898
C20H32	272.25040	0.234	Tsukubadiene	KEGG: C21670
C20H32	272.25040	0.234	Fusicocca-2,10(14)-diene	KEGG: C18229 LipidMAPS: LMPR0104350003
C20H32	272.25040	0.234	m-Camphorene	HMDB: HMDB0036853 KNApSAcK: C00054830
C20H32	272.25040	0.234	Traversiadiene	KNApSAcK: C00000902
C20H32	272.25040	0.234	Dolabradiene	KEGG: C22008 KNApSAcK: C00055977
C20H32	272.25040	0.234	beta-Springene	KNApSAcK: C00022077
C20H32	272.25040	0.234	Flexibilene	KNApSAcK: C00050098
C20H32	272.25040	0.234		LipidMAPS: LMPR0104430001
C20H32	272.25040	0.234	Elisabethatriene	KEGG: C19816 LipidMAPS: LMPR0104410003
C20H32	272.25040	0.234	ent-Pimara-9(11),15-diene	KEGG: C19810 KNApSAcK: C00053373 LipidMAPS: LMPR0104080005
C20H32	272.25040	0.234	Cattleyene	KEGG: C22901
C20H32	272.25040	0.234	ent-Kaurene	HMDB: HMDB0035394 KEGG: C06090 KNApSAcK: C00007253, C00053680 LipidMAPS: LMPR0104130002
C20H32	272.25040	0.234	(5R,12R,14S)-Dolasta-1(15),8-diene	KEGG: C22840
C20H32	272.25040	0.234	delta-Araneosene	KEGG: C22839
C20H32	272.25040	0.234	ent-exo-Verticillene	KNApSAcK: C00030185
C20H32	272.25040	0.234	Pacificin I	KNApSAcK: C00042821
C20H32	272.25040	0.234	Taxa-4,11-diene	HMDB: HMDB0304495 KEGG: C11894 KNApSAcK: C00000900 LipidMAPS: LMPR0104390002
C20H32	272.25040	0.234	beta-Pinacene	HMDB: HMDB0039712 KNApSAcK: C00033065, C00052879
C20H32	272.25040	0.234	Lydicene	KEGG: C22616
C20H32	272.25040	0.234	(-)-Cyatha-3,12-diene	KEGG: C22612 KNApSAcK: C00054717
C20H32	272.25040	0.234	9beta-pimara-7,15-diene	HMDB: HMDB0301825 KEGG: C18225, C18211 KNApSAcK: C00000867, C00034866 LipidMAPS: LMPR0104080006, LMPR0104080007
C20H32	272.25040	0.234	Rhizathalene A	KEGG: C21765
C20H32	272.25040	0.234	(3E,7E)-Dolathalia-3,7,11-triene	KEGG: C21688
C20H32	272.25040	0.234	Neoabietadiene	KEGG: C11880 KNApSAcK: C00052792 LipidMAPS: LMPR0104050003
C20H32	272.25040	0.234	Rimuene	KNApSAcK: C00053750
C20H32	272.25040	0.234	ent-Isokaurene	KEGG: C20145 KNApSAcK: C00053366
C20H32	272.25040	0.234	Trixagoene	KNApSAcK: C00022202
C20H32	272.25040	0.234	ent-Cassa-12,15-diene	HMDB: HMDB0302095 KEGG: C18226 KNApSAcK: C00033813 LipidMAPS: LMPR0104120001
C20H32	272.25040	0.234	Miltiradiene	KEGG: C20711 KNApSAcK: C00053491
C20H32	272.25040	0.234	(-)-Dolabella-3,7,18-triene	KNApSAcK: C00036274 LipidMAPS: LMPR0104240001
C20H32	272.25040	0.234	Cembrene	HMDB: HMDB0036845 KEGG: C11893 KNApSAcK: C00053024 LipidMAPS: LMPR0104190002
C20H32	272.25040	0.234	Palustradiene	KEGG: C11881 KNApSAcK: C00053623
C20H32	272.25040	0.234	Casbene	KEGG: C01414 KNApSAcK: C00000864 LipidMAPS: LMPR0104290001
C20H32	272.25040	0.234	Aphidicol-16-ene	KEGG: C11891, C18224 LipidMAPS: LMPR0104030007, LMPR0104160001
C20H32	272.25040	0.234		LipidMAPS: LMPR0104100001

MSnスペクトル情報

Level: 2, プリカーサーm/z: 273.25772

Splash: splash10-0401-0920000000-9590bd891b5e7d6700de

m/z	Int.	NL	Rel.Int.
163.05	6981	110	1000
149.09	5777	124	827
217.26	4678	56	670
177.16	4353	96	623
203.13	3187	70	456
123.05	2361	150	338
135.00	2317	138	331
191.08	1763	82	252
189.16	1756	84	251
175.01	1742	98	249
231.20	1514	42	216
137.09	1391	136	199
109.03	1387	164	198
120.99	917	152	131
95.00	904	178	129
107.02	778	166	111
161.14	757	112	108
151.02	474	122	67
165.11	471	108	67
147.12	429	126	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.320	[Flavanone]-A(1OH)-B(2OH)	Flavanone	Butin
0.280	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	Pseudosindorin
0.280	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	Butein
0.280	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	2,4,2',4'-Tetrahydroxychalcone
0.138	[Flavanone]-A(2OH)-B(1OH)	Flavanone	7,8,4'-Trihydroxyflavanone
0.130	[Pterocarpan]-A(2OH)-B(1OH)	Pterocarpan	4-Hydroxydemethylmedicarpin
0.115	[Isoflavanone]-A(1OH)-B(2OH)	Isoflavanone	2'-Hydroxydihydrodaidzein
0.111	[Flavanone]-A(3OH)-B(none)	Flavanone	Dihydrobaicalein
0.111	[Flavanone]-A(3OH)-B(none)	Flavanone	Dihydronorwogonin
0.111	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,8,4'-Trihydroxyflavanone
0.111	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,7,2'-Trihydroxyflavanone
0.111	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,7,3'-Trihydroxyflavanone
0.111	[Flavanone]-A(2OH)-B(1OH)	Flavanone	Naringenin
0.103	[2'-Hydroxychalcone]-A(3OH)-B(1OH)	2'-Hydroxychalcone	4,2',3',4'-Tetrahydroxychalcone
0.087	[Isoflavan]-A(1OH)-B(1OH, 1OMe)	Isoflavan	Vestitol
0.087	[Isoflavan]-A(1OH)-B(1OH, 1OMe)	Isoflavan	Isovestitol
0.087	[Isoflavan]-A(1OMe)-B(2OH)	Isoflavan	Neovestitol
0.087	[Flavan 3-ol]-A(1OMe)-B(1OH)	Flavan 3-ol	Guibourtinidol-7-methyl ether
0.074	[2'-Hydroxychalcone]-A(3OH)-B(1OH)	2'-Hydroxychalcone	Naringenin chalcone
0.045	[Dihydrochalcone]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone	4'-O-Methyldavidigenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(none)	Dihydrochalcone	Uvangoletin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 1OMe)	Dihydrochalcone	Loureirin C
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 1OMe)	Dihydrochalcone	2,4'-Dihydroxy-4-methoxydihydrochalcone
0.000	[Dihydroflavonol]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin
0.000	[Dihydroflavonol]-A(1OH)-B(1OH)	Dihydroflavonol	Garbanzol
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Licodione
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',4',6',beta-Tetrahydroxychalcone
0.000	[Dihydrochalcone]-A(3OH, 1Methyl)-B(none)	Dihydrochalcone	3'-Methyl-2',4',6'-trihydroxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(none)	2-Hydroxyflavanone	2,5,7-Trihydroxyflavanone (2beta)
0.000	[Flavan]-A(1OMe)-B(2OH)	Flavan	3',4'-Dihydroxy-7-methoxyflavan
0.000	[Flavan]-A(1OH)-B(1OH, 1OMe)	Flavan	7,4'-Dihydroxy-3'-methoxyflavan
0.000	[Flavan]-A(1OH)-B(1OH, 1OMe)	Flavan	7,3'-Dihydroxy-4'-methoxyflavan
0.000	[Flavan]-A(2OH)-B(1OMe)	Flavan	5,7-Dihydroxy-4'-methoxyflavan
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH)	Pterocarpan-6a-ol	Glycinol
0.000	[alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe)	alpha-Methyldeoxybenzoin	Angolensin

Level: 3, プリカーサーm/z: 163.03796

Splash: splash10-0ab9-2900000000-9d3a3b0d421f260d779a

m/z	Int.	NL	Rel.Int.
107.05	1561	56	1000
121.04	910	42	582
135.05	759	28	486
80.99	336	82	215
94.90	249	68	159
93.07	232	70	148

Level: 3, プリカーサーm/z: 149.05257

Splash: splash10-05fr-2900000000-6b8ceae1dfd07eec3427

m/z	Int.	NL	Rel.Int.
120.94	1144	28	1000
106.97	877	42	766
92.97	507	56	442
80.88	118	68	103