ピーク情報

こむぎ［パン類］食パン

pos

Peak #7245 MN MID: SE112_S010261_M90

m/z: 275.20055, RT: 71.52, 強度: 2687, ログ強度: 0.04, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide;7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid;Colnelenic acid;Ketochabrolic acid;17beta-Hydroxy-2-oxa-5alpha-androstan-3-one;Methyl [6]-paradol;13S-hydroxy-6Z,9Z,...

DBごとのヒット数: ALL 27 KG 8 KN 5 LM 14

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

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
C18H28O3	292.20384	-0.035	12,13-epoxy-10E,15Z-octadecadien-9-olide	LipidMAPS: LMFA07040153
C18H28O3	292.20384	-0.035	7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid	LipidMAPS: LMFA01031262
C18H28O3	292.20384	-0.035	Colnelenic acid	HMDB: HMDB0030996 KEGG: C16320 KNApSAcK: C00000448 LipidMAPS: LMFA10000002, LMFA10000017
C18H28O3	292.20384	-0.035	Ketochabrolic acid	KNApSAcK: C00030533, C00030607
C18H28O3	292.20384	-0.035	Methyl [6]-paradol	HMDB: HMDB0302136 KNApSAcK: C00035687
C18H28O3	292.20384	-0.035	17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	KEGG: C14911
C18H28O3	292.20384	-0.035	13S-hydroxy-6Z,9Z,11E,15Z-octadecatetraenoic acid	LipidMAPS: LMFA02000373
C18H28O3	292.20384	-0.035	4-oxo-2E,9E,17-octadecatrienoic acid	LipidMAPS: LMFA02000365
C18H28O3	292.20384	-0.035	9-oxo-10E,12Z,15Z-octadecatrienoic acid	LipidMAPS: LMFA02000371
C18H28O3	292.20384	-0.035	4-oxo-2E,11Z,17-octadecatrienoic acid	LipidMAPS: LMFA02000366
C18H28O3	292.20384	-0.035	[7]-Paradol	HMDB: HMDB0040806 KNApSAcK: C00035032
C18H28O3	292.20384	-0.035	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane	KNApSAcK: C00021112
C18H28O3	292.20384	-0.035	13-keto-9Z,11E,15Z-octadecatrienoic acid	LipidMAPS: LMFA02000028
C18H28O3	292.20384	-0.035	(-)-8-hydroxy-11E,17-octadecadien-9-ynoic acid	LipidMAPS: LMFA02000191
C18H28O3	292.20384	-0.035	(9S,13S,15Z)-12-Oxophyto-10,15-dienoate	HMDB: HMDB0301804, HMDB0302724, [-1]HMDB0304018 KEGG: C01226, C13816 KNApSAcK: C00000365 LipidMAPS: LMFA02010001
C18H28O3	292.20384	-0.035	14,15-Dinor-13-oxo-7-labden-17-oic acid	KNApSAcK: C00023388
C18H28O3	292.20384	-0.035	Panaquinquecol 1	HMDB: HMDB0038035 LipidMAPS: LMFA05000686
C18H28O3	292.20384	-0.035	10-OPDA	KEGG: C16325
C18H28O3	292.20384	-0.035	8-hydroxy-10,12-octadecadiynoic acid	LipidMAPS: LMFA02000194
C18H28O3	292.20384	-0.035	alpha-Licanic acid	KEGG: C08319 KNApSAcK: C00001222 LipidMAPS: LMFA02000273, LMFA02000297
C18H28O3	292.20384	-0.035	13-(3-oxo-1-cyclopentenyl)-4E-tridecenoic acid	LipidMAPS: LMFA01140104
C18H28O3	292.20384	-0.035	8-hydroxy-9,11-octadecadiynoic acid	LipidMAPS: LMFA02000193
C18H28O3	292.20384	-0.035	6-Hydroxyoctadeca-7,9-diynoic acid	LipidMAPS: LMFA01031024
C18H28O3	292.20384	-0.035	(9Z)-10-{(1'R,2'S,3'S,5'S)-3-[(1''E)-prop-1''-en-1''-yl]-6'-oxabicyclo[3.1.0]hex-2'-yl}dec-9-enoic acid	LipidMAPS: LMFA02000392
C18H28O3	292.20384	-0.035	(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid	HMDB: [-1]HMDB0304017 KEGG: C04672 KNApSAcK: C00000363 LipidMAPS: LMFA02000053
C18H28O3	292.20384	-0.035	Etherolenic acid	KEGG: C16319 LipidMAPS: LMFA10000007, LMFA10000009, LMFA10000003
C18H28O3	292.20384	-0.035	12-Oxo-9Z,13Z,15Z-octadecatrienoic acid	LipidMAPS: LMFA02000310
C18H28O3	292.20384	-0.035	8-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoic acid	LipidMAPS: LMFA02010020
C18H28O3	292.20384	-0.035	9-hydroxy-10E,14Z-octadecadien-12-ynoic acid	LipidMAPS: LMFA02000192
C18H28O3	292.20384	-0.035	9,10-EOT	KEGG: C16324

MSnスペクトル情報

Level: 2, プリカーサーm/z: 275.20029

Splash: splash10-0a4i-0970000000-ef83efe562b204cb8d52

m/z	Int.	NL	Rel.Int.
257.15	2141	18	1000
239.26	1154	36	538
159.02	1077	116	503
173.15	581	102	271
147.03	473	128	220
145.11	395	130	184
157.01	351	118	164
161.10	300	114	139
229.13	258	46	120
133.10	249	142	116
171.16	212	104	99
183.16	198	92	92
215.16	184	60	85
197.15	161	78	75
185.22	157	90	73
203.15	135	72	63
119.08	133	156	62
175.04	131	100	61
201.17	124	74	58
130.99	107	144	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.042	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

Level: 3, プリカーサーm/z: 257.15375

Splash: splash10-000i-0790000000-7837176166b76e6ca6a9

m/z	Int.	NL	Rel.Int.
239.22	390	18	1000
185.15	137	72	351
229.21	51	28	129
214.99	50	42	127
159.12	49	98	125
187.05	47	70	121
199.32	47	58	121
171.03	41	86	106
145.04	36	112	91
147.03	34	110	88
213.32	26	44	67
125.10	24	132	62
197.13	23	60	59

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[2'-Hydroxychalcone]-A(1OH)-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxychalcone
0.250	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin
0.250	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',5'-Trihydroxychalcone
0.250	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',3'-Trihydroxychalcone
0.238	[Flavanone]-A(1OH)-B(1OH)	Flavanone	Liquiritigenin
0.158	[2'-Hydroxychalcone]-A(3OH)-B(none)	2'-Hydroxychalcone	2',4',6'-Trihydroxychalcone
0.150	[Flavanone]-A(2OH)-B(none)	Flavanone	Pinocembrin
0.100	[Isoflavanone]-A(1OH)-B(1OH)	Isoflavanone	Dihydrodaidzein
0.063	[Dihydroflavonol]-A(1OH)-B(none)	Dihydroflavonol	3,7-dihydroxyflavanone
0.056	[Pterocarpan]-A(1OH)-B(1OH)	Pterocarpan	Demethylmedicarpin
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Hydroxy-4'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Methoxy-4'-hydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(none)-B(1OH, 1OMe)	Dihydrochalcone	2-Methoxy-4-hydroxydihydrochalcone
0.000	[Aurone]-A(none)-B(1Cl)	Aurone	4'-Chloroaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Lucidone
0.000	[Flavan]-A(1OH)-B(1OMe)	Flavan	Broussin
0.000	[Flavan]-A(1OMe)-B(1OH)	Flavan	4'-Hydroxy-7-methoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH)	Flavan	7,4'-Dihydroxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(none)	Flavan	7-Hydroxy-5-methoxyflavan
0.000	[isoflavene]-A(1OH)-B(2OH)	isoflavene	Haginin D
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	6-Demethylvignafuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	Centrolobofuran
0.000	[Dalbergiquinol]-A(2OH, 1OMe)-B(none)	Dalbergiquinol	Obtusaquinol

Level: 3, プリカーサーm/z: 239.26358

Splash: splash10-000t-0920000000-b19d37f80f939448fcbd

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.313	[Flavone]-A(none)-B(1OH)	Flavone	2'-Hydroxyflavone
0.313	[Flavone]-A(1OH)-B(none)	Flavone	Primuletin
0.105	[Chalcone]-A(1OMe)-B(none)	Chalcone	4'-Methoxychalcone
0.000	[Aurone]-A(none)-B(1OH)	Aurone	2'-Hydroxyaurone

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
	71.62	353.26858	78.0680	-0.04	[M-2(H2O)+H]+, [M+IsoProp+H]+	(4 names) 14R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-pentadecanoic acid; MG(18:1(12Z)-2OH(9,10)/0:0/0:0); MG(0:0/18:1(12Z)-2OH(9,10)/0:0); 15-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-pentadecanoic ac...	ALL 4 HM 2 LM 2			52
	71.53	334.23758	59.0370	0.18	[M+ACN+H]+	(32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide; 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid; Colnelenic acid; Ketochabrolic acid; 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one; Methyl [6]-paradol; 13S-hydroxy-6Z,9Z,...	ALL 27 KG 8 KN 5 LM 14	MS2		2
	71.53	293.21113	18.0106	0.40	[M+H]+	(32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide; 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid; Colnelenic acid; Ketochabrolic acid; 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one; Methyl [6]-paradol; 13S-hydroxy-6Z,9Z,...	ALL 27 KG 8 KN 5 LM 14	MS2 MS3		11
7245	71.52	275.20055	0.0000	0.04	[M-H2O+H]+	(32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide; 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid; Colnelenic acid; Ketochabrolic acid; 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one; Methyl [6]-paradol; 13S-hydroxy-6Z,9Z,...	ALL 27 KG 8 KN 5 LM 14	MS2 MS3 x 2	0.250	3

m/z	Int.	NL	Rel.Int.
197.19	210	42	1000
183.10	129	56	615
211.22	104	28	497
157.10	60	82	284
169.06	51	70	245
171.02	35	68	166
145.08	32	94	150
159.08	24	80	112
209.48	19	30	90
210.30	12	29	55
155.14	11	84	50

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報