ピーク情報
|
イネ 玄米 コシヒカリ
pos
|
| Peak #6035 MN MID: SE199_S11_M90 |
| m/z: 365.26892, RT: 101.78, 強度: 16892, ログ強度: 0.80, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (39 names) Sarcotol acetate;9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid;24-dinor-3alpha,7beta-dihydroxy-5beta-cholan-22-oic acid;9-Acetoxy-5-hydroxygeranyllinalol;6-Acetylandalusol;10-Deacetoxybar... |
| DBごとのヒット数: ALL 34 KN 24 HM 5 LM 5 |
| FlavonoidSearch最大スコア MS2: 0.045, 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 |
|---|---|---|---|---|
| C22H36O4 | 364.26136 | 0.775 | Sarcotol acetate | KNApSAcK: C00049585 |
| C22H36O4 | 364.26136 | 0.775 | 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010062 |
| C22H36O4 | 364.26136 | 0.775 | 24-dinor-3alpha,7beta-dihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050007, LMST04050008 |
| C22H36O4 | 364.26136 | 0.775 | 9-Acetoxy-5-hydroxygeranyllinalol | KNApSAcK: C00022082 |
| C22H36O4 | 364.26136 | 0.775 | 6-Acetylandalusol | KNApSAcK: C00022753 |
| C22H36O4 | 364.26136 | 0.775 | Ciprostene | HMDB: HMDB0250270 |
| C22H36O4 | 364.26136 | 0.775 | Methyl-[10]-gingerol | HMDB: HMDB0303109 |
| C22H36O4 | 364.26136 | 0.775 | 10-Deacetoxybarbilycopodin | KNApSAcK: C00038118 |
| C22H36O4 | 364.26136 | 0.775 | 3-Acetylvarodiol | KNApSAcK: C00022345 |
| C22H36O4 | 364.26136 | 0.775 | 24-dinor-3alpha,6beta-dihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050011, LMST04050015 |
| C22H36O4 | 364.26136 | 0.775 | Acetylimbricatolic acid | KNApSAcK: C00023301 |
| C22H36O4 | 364.26136 | 0.775 | Schkuhrianol acetate | KNApSAcK: C00022375 |
| C22H36O4 | 364.26136 | 0.775 | 18-Acetoxy-cis-clerodan-3-ene-15-oic acid | KNApSAcK: C00044424 |
| C22H36O4 | 364.26136 | 0.775 | 6-Acetylisoandalusol | KNApSAcK: C00022751 |
| C22H36O4 | 364.26136 | 0.775 | Vitetrifolin F | KNApSAcK: C00033486 |
| C22H36O4 | 364.26136 | 0.775 | Vitetrifolin E | KNApSAcK: C00033485 |
| C22H36O4 | 364.26136 | 0.775 | 7-O-Acetylaustroinulin | HMDB: HMDB0036804 |
| C22H36O4 | 364.26136 | 0.775 | 12-Acetylvarodiol | KNApSAcK: C00022346 |
| C22H36O4 | 364.26136 | 0.775 | Plakorsin C | KNApSAcK: C00046312 |
| C22H36O4 | 364.26136 | 0.775 | 13-Acetoxy-5-hydroxygeranyllinalol | KNApSAcK: C00022084 |
| C22H36O4 | 364.26136 | 0.775 | Clinprost | HMDB: HMDB0250326 |
| C22H36O4 | 364.26136 | 0.775 | 9-oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid | LipidMAPS: LMFA03010085 |
| C22H36O4 | 364.26136 | 0.775 | ent-15-Acetoxy-7,13-labdadiene-2alpha,3alpha-diol | KNApSAcK: C00022738 |
| C22H36O4 | 364.26136 | 0.775 | 16-Acetoxycarterochaetol | KNApSAcK: C00022336 |
| C22H36O4 | 364.26136 | 0.775 | Salvic acid acetate | KNApSAcK: C00022426 |
| C22H36O4 | 364.26136 | 0.775 | 19-Acetoxyvillenatriol | KNApSAcK: C00022746 |
| C22H36O4 | 364.26136 | 0.775 | 24-dinor-3alpha,12alpha-dihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050006 |
| C22H36O4 | 364.26136 | 0.775 | Austroinulin 6-O-acetate | HMDB: HMDB0036803 KNApSAcK: C00023176 |
| C22H36O4 | 364.26136 | 0.775 | 18-Acetylandalusol | KNApSAcK: C00022754 |
| C22H36O4 | 364.26136 | 0.775 | Hamachilobene E | KNApSAcK: C00022343 |
| C22H36O4 | 364.26136 | 0.775 | Pacificin M | KNApSAcK: C00030917 |
| C22H36O4 | 364.26136 | 0.775 | 19-Acetylvillenolone | KNApSAcK: C00022253 |
| C22H36O4 | 364.26136 | 0.775 | Methyl 15-isobutyloxy-7-labden-17-oate | KNApSAcK: C00023422 |
| C23H32N4 | 364.26270 | -2.897 | Butyl-(2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)ethylamine | HMDB: HMDB0250510 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 365.26877 |
| Splash: splash10-03di-0091000000-d42c0abeb29a762ecb82 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.19 | 16178 | 102 | 1000 |
| 347.15 | 2717 | 18 | 167 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.045 | [Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Isoflavone | Alpinumisoflavone dimethyl ether |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavone | Carpachromene dimethyl ether |
| 0.000 | [Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Coumestan | Gancaonin F |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavonol | 3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavonol | 3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Robustone |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone |
| 0.000 | [Dehydrorotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dehydrorotenone | Dehydropachyrrhizone |
| Level: 3, プリカーサーm/z: 347.30380 |
| Splash: splash10-056r-0941000000-0485fd93a27d7dfd9d30 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 179.07 | 2541 | 168 | 1000 |
| 205.12 | 1892 | 142 | 744 |
| 329.36 | 670 | 18 | 263 |
| 163.05 | 526 | 184 | 207 |
| 167.15 | 432 | 180 | 169 |
| 181.08 | 351 | 166 | 138 |
| 145.13 | 247 | 202 | 97 |
| 319.36 | 244 | 28 | 96 |
| 213.19 | 215 | 134 | 84 |
| 135.13 | 212 | 212 | 83 |
| 121.10 | 201 | 226 | 78 |
| 193.10 | 170 | 154 | 67 |
| 231.16 | 154 | 116 | 60 |
| 249.23 | 150 | 98 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.136 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.111 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.111 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.095 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.087 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.042 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.034 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.034 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.034 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Viscidulin III |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OH) | Flavone | 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | Ganhuangenin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | Leucanthogenin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(1OH, 4OMe)-B(none) | Dihydrochalcone | Dihydrokanakugiol |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Spinacetin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Laciniatin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 7,3'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3',8-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 7,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Limocitrin |
| 0.000 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 8,4'-dimethyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Eupatolitin |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Zanthoxyl flavone |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Dihydrochalcone | 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Taxifolin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Myricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Artemexitin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | Dumosol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Alluaudiol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Axillarin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Tomentin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OH) | Flavonol | 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavan 3,4-diol | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Amorphaquinone |
| Level: 3, プリカーサーm/z: 263.24066 |
| Splash: splash10-0a4i-1910000000-77b9b0240f964b591f3f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 109.08 | 98 | 154 | 1000 |
| 122.92 | 27 | 140 | 274 |
| 137.14 | 24 | 126 | 244 |
| 159.08 | 22 | 104 | 221 |
| 201.41 | 18 | 62 | 184 |
| 79.20 | 15 | 184 | 156 |
| 95.03 | 14 | 168 | 147 |
| 135.01 | 14 | 128 | 145 |
| 151.04 | 13 | 112 | 137 |
| 92.92 | 11 | 170 | 112 |
| 217.22 | 8 | 46 | 81 |
| 245.34 | 8 | 18 | 81 |
| 107.13 | 8 | 156 | 79 |
| 119.17 | 6 | 144 | 56 |
| 202.89 | 5 | 60 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(none) | Aurone | Furano[2'',3'':6,7]aurone |