ピーク情報

わらび生わらび生

pos

Peak #3624 MN MID: SE116_S063241_M90

m/z: 201.12736, RT: 47.12, 強度: 60609, ログ強度: 1.29, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (19 names) (R)-Pterosin B;7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone;Majusculone;Dimethylbenzyl carbinyl crotonate;Chromoarnottione;7-Oxo-14-nor-4-isocedren-15-al...

DBごとのヒット数: ALL 18 KN 11 HM 5 LM 2

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
C14H18O2	218.13068	-0.162	(2R)-Pterosin B	HMDB: HMDB0030759 KNApSAcK: C00029318
C14H18O2	218.13068	-0.162	7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone	KNApSAcK: C00013219
C14H18O2	218.13068	-0.162	Dimethylbenzyl carbinyl crotonate	HMDB: HMDB0032227
C14H18O2	218.13068	-0.162	Majusculone	KNApSAcK: C00021637
C14H18O2	218.13068	-0.162	Chromoarnottione	KNApSAcK: C00020167
C14H18O2	218.13068	-0.162	7-Oxo-14-nor-4-isocedren-15-al	KNApSAcK: C00021756
C14H18O2	218.13068	-0.162	Cinnamyl isovalerate	HMDB: HMDB0041318
C14H18O2	218.13068	-0.162	2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one	HMDB: HMDB0037738
C14H18O2	218.13068	-0.162	5,7,9,11,13-tetradecapentaenoic acid	LipidMAPS: LMFA01030258
C14H18O2	218.13068	-0.162	(R)-(-)-Noroxopenlanfuran	KNApSAcK: C00011955
C14H18O2	218.13068	-0.162	2-[5]-ladderane ethanoic acid	LipidMAPS: LMFA01140081
C14H18O2	218.13068	-0.162	Evofolin C	KNApSAcK: C00039184
C14H18O2	218.13068	-0.162	cis-3-Hexenyl phenylacetate	HMDB: HMDB0038281
C14H18O2	218.13068	-0.162	3-Hydroxy-14-nor-10-calamenenone	KNApSAcK: C00020201
C14H18O2	218.13068	-0.162	Isoamyl cinnamate	HMDB: HMDB0037704
C14H18O2	218.13068	-0.162	Norpinguisone	KNApSAcK: C00021334
C14H18O2	218.13068	-0.162	4-Methoxy-3-(isopenten-2-yl)acetophenone	KNApSAcK: C00023264
C14H18O2	218.13068	-0.162	Cinnamyl isovalerate	KNApSAcK: C00036094

MSnスペクトル情報

Level: 2, プリカーサーm/z: 201.12738

Splash: splash10-0089-0900000000-5c1debd552f7600a3ead

m/z	Int.	NL	Rel.Int.
183.06	434760	18	1000
173.03	263741	28	606
168.01	139956	33	321
159.09	110677	42	254
145.00	73980	56	170
155.11	57127	46	131
186.12	42595	15	97
157.01	36659	44	84
143.06	33866	58	77
171.11	28658	30	65
172.33	25757	29	59
131.04	22141	70	50

Level: 3, プリカーサーm/z: 183.03206

Splash: splash10-0gb9-0900000000-74cb5632630119e37c29

m/z	Int.	NL	Rel.Int.
168.08	60557	15	1000
154.99	40904	28	675
140.99	3537	42	58

Level: 3, プリカーサーm/z: 173.02605

Splash: splash10-0002-0900000000-74050d189716aa18d2f0

m/z	Int.	NL	Rel.Int.
145.07	31434	28	1000
131.04	11361	42	361
158.10	11031	15	350
118.95	2735	54	87

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	共有数
	47.13	260.16449	59.0371	0.94	[M+ACN+H]+	(19 names) (R)-Pterosin B; 7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone; Majusculone; Dimethylbenzyl carbinyl crotonate; Chromoarnottione; 7-Oxo-14-nor-4-isocedren-15-al...	ALL 18 KN 11 HM 5 LM 2		1
	47.15	242.15393	41.0266	1.40	[M+ACN-H2O+H]+	(19 names) (R)-Pterosin B; 7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone; Majusculone; Dimethylbenzyl carbinyl crotonate; Chromoarnottione; 7-Oxo-14-nor-4-isocedren-15-al...	ALL 18 KN 11 HM 5 LM 2	MS2 MS3 x 2	1
	47.13	219.13793	18.0106	1.86	[M+H]+	(19 names) (R)-Pterosin B; 7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone; Majusculone; Dimethylbenzyl carbinyl crotonate; Chromoarnottione; 7-Oxo-14-nor-4-isocedren-15-al...	ALL 18 KN 11 HM 5 LM 2	MS2 MS3 x 2	1
3624	47.12	201.12736	0.0000	1.29	[M-H2O+H]+	(19 names) (R)-Pterosin B; 7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone; Majusculone; Dimethylbenzyl carbinyl crotonate; Chromoarnottione; 7-Oxo-14-nor-4-isocedren-15-al...	ALL 18 KN 11 HM 5 LM 2	MS2 MS3 x 2	1

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