ピーク情報

わらび生わらび生

pos

Peak #3635 MN MID: SE116_S063241_M90

m/z: 219.13793, RT: 47.13, 強度: 225272, ログ強度: 1.86, 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: (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	-0.126	(2R)-Pterosin B	HMDB: HMDB0030759 KNApSAcK: C00029318
C14H18O2	218.13068	-0.126	7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone	KNApSAcK: C00013219
C14H18O2	218.13068	-0.126	Dimethylbenzyl carbinyl crotonate	HMDB: HMDB0032227
C14H18O2	218.13068	-0.126	Majusculone	KNApSAcK: C00021637
C14H18O2	218.13068	-0.126	Chromoarnottione	KNApSAcK: C00020167
C14H18O2	218.13068	-0.126	7-Oxo-14-nor-4-isocedren-15-al	KNApSAcK: C00021756
C14H18O2	218.13068	-0.126	Cinnamyl isovalerate	HMDB: HMDB0041318
C14H18O2	218.13068	-0.126	2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one	HMDB: HMDB0037738
C14H18O2	218.13068	-0.126	5,7,9,11,13-tetradecapentaenoic acid	LipidMAPS: LMFA01030258
C14H18O2	218.13068	-0.126	(R)-(-)-Noroxopenlanfuran	KNApSAcK: C00011955
C14H18O2	218.13068	-0.126	2-[5]-ladderane ethanoic acid	LipidMAPS: LMFA01140081
C14H18O2	218.13068	-0.126	Evofolin C	KNApSAcK: C00039184
C14H18O2	218.13068	-0.126	cis-3-Hexenyl phenylacetate	HMDB: HMDB0038281
C14H18O2	218.13068	-0.126	3-Hydroxy-14-nor-10-calamenenone	KNApSAcK: C00020201
C14H18O2	218.13068	-0.126	Isoamyl cinnamate	HMDB: HMDB0037704
C14H18O2	218.13068	-0.126	Norpinguisone	KNApSAcK: C00021334
C14H18O2	218.13068	-0.126	4-Methoxy-3-(isopenten-2-yl)acetophenone	KNApSAcK: C00023264
C14H18O2	218.13068	-0.126	Cinnamyl isovalerate	KNApSAcK: C00036094

MSnスペクトル情報

Level: 2, プリカーサーm/z: 219.13754

Splash: splash10-0udi-0490000000-881946354b98664fc864

m/z	Int.	NL	Rel.Int.
201.08	1496555	18	1000
173.09	502662	46	335
177.04	95286	42	63
159.15	77087	60	51

Level: 3, プリカーサーm/z: 201.08073

Splash: splash10-00di-0900000000-d63492b854de6e995007

m/z	Int.	NL	Rel.Int.
172.96	386429	28	1000
186.03	120904	15	312
183.19	107434	18	278
145.03	96910	56	250
159.08	89792	42	232
131.02	43195	70	111
168.05	25181	33	65
156.96	22330	44	57

Level: 3, プリカーサーm/z: 173.09311

Splash: splash10-0536-0900000000-fcbd910c6415eaa7236c

m/z	Int.	NL	Rel.Int.
145.00	107543	28	1000
131.01	93912	42	873
158.11	58235	15	541
119.01	11844	54	110
144.37	9193	29	85
143.14	8581	30	79
156.01	5415	17	50

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	41.0266	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	23.0160	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
3635	47.13	219.13793	0.0000	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
	47.12	201.12736	-18.0106	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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