ピーク情報
|
イネ 玄米 ニッポンバレ
pos
|
| Peak #6048 MN MID: SE199_S21_M90 |
| m/z: 365.26892, RT: 101.77, 強度: 17461, ログ強度: 0.84, 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: 0.200 |
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 | 0.787 | Sarcotol acetate | KNApSAcK: C00049585 |
| C22H36O4 | 364.26136 | 0.787 | 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010062 |
| C22H36O4 | 364.26136 | 0.787 | 24-dinor-3alpha,7beta-dihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050007, LMST04050008 |
| C22H36O4 | 364.26136 | 0.787 | 9-Acetoxy-5-hydroxygeranyllinalol | KNApSAcK: C00022082 |
| C22H36O4 | 364.26136 | 0.787 | 6-Acetylandalusol | KNApSAcK: C00022753 |
| C22H36O4 | 364.26136 | 0.787 | Ciprostene | HMDB: HMDB0250270 |
| C22H36O4 | 364.26136 | 0.787 | Methyl-[10]-gingerol | HMDB: HMDB0303109 |
| C22H36O4 | 364.26136 | 0.787 | 10-Deacetoxybarbilycopodin | KNApSAcK: C00038118 |
| C22H36O4 | 364.26136 | 0.787 | 3-Acetylvarodiol | KNApSAcK: C00022345 |
| C22H36O4 | 364.26136 | 0.787 | 24-dinor-3alpha,6beta-dihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050011, LMST04050015 |
| C22H36O4 | 364.26136 | 0.787 | Acetylimbricatolic acid | KNApSAcK: C00023301 |
| C22H36O4 | 364.26136 | 0.787 | Schkuhrianol acetate | KNApSAcK: C00022375 |
| C22H36O4 | 364.26136 | 0.787 | 18-Acetoxy-cis-clerodan-3-ene-15-oic acid | KNApSAcK: C00044424 |
| C22H36O4 | 364.26136 | 0.787 | 6-Acetylisoandalusol | KNApSAcK: C00022751 |
| C22H36O4 | 364.26136 | 0.787 | Vitetrifolin F | KNApSAcK: C00033486 |
| C22H36O4 | 364.26136 | 0.787 | Vitetrifolin E | KNApSAcK: C00033485 |
| C22H36O4 | 364.26136 | 0.787 | 7-O-Acetylaustroinulin | HMDB: HMDB0036804 |
| C22H36O4 | 364.26136 | 0.787 | 12-Acetylvarodiol | KNApSAcK: C00022346 |
| C22H36O4 | 364.26136 | 0.787 | Plakorsin C | KNApSAcK: C00046312 |
| C22H36O4 | 364.26136 | 0.787 | 13-Acetoxy-5-hydroxygeranyllinalol | KNApSAcK: C00022084 |
| C22H36O4 | 364.26136 | 0.787 | Clinprost | HMDB: HMDB0250326 |
| C22H36O4 | 364.26136 | 0.787 | 9-oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid | LipidMAPS: LMFA03010085 |
| C22H36O4 | 364.26136 | 0.787 | ent-15-Acetoxy-7,13-labdadiene-2alpha,3alpha-diol | KNApSAcK: C00022738 |
| C22H36O4 | 364.26136 | 0.787 | 16-Acetoxycarterochaetol | KNApSAcK: C00022336 |
| C22H36O4 | 364.26136 | 0.787 | Salvic acid acetate | KNApSAcK: C00022426 |
| C22H36O4 | 364.26136 | 0.787 | 19-Acetoxyvillenatriol | KNApSAcK: C00022746 |
| C22H36O4 | 364.26136 | 0.787 | 24-dinor-3alpha,12alpha-dihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050006 |
| C22H36O4 | 364.26136 | 0.787 | Austroinulin 6-O-acetate | HMDB: HMDB0036803 KNApSAcK: C00023176 |
| C22H36O4 | 364.26136 | 0.787 | 18-Acetylandalusol | KNApSAcK: C00022754 |
| C22H36O4 | 364.26136 | 0.787 | Hamachilobene E | KNApSAcK: C00022343 |
| C22H36O4 | 364.26136 | 0.787 | Pacificin M | KNApSAcK: C00030917 |
| C22H36O4 | 364.26136 | 0.787 | 19-Acetylvillenolone | KNApSAcK: C00022253 |
| C22H36O4 | 364.26136 | 0.787 | Methyl 15-isobutyloxy-7-labden-17-oate | KNApSAcK: C00023422 |
| C23H32N4 | 364.26270 | -2.884 | 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: 365.26889 |
| Splash: splash10-03di-0090000000-84bdaf0b2d29dc6a3bd6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.22 | 23087 | 102 | 1000 |
| 347.33 | 2399 | 18 | 103 |
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: 347.29459 |
| Splash: splash10-056r-0941000000-7ba9abae9efdf2465821 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 179.08 | 2273 | 168 | 1000 |
| 205.17 | 1748 | 142 | 769 |
| 329.26 | 654 | 18 | 287 |
| 163.08 | 528 | 184 | 232 |
| 181.07 | 436 | 166 | 191 |
| 167.06 | 364 | 180 | 160 |
| 135.05 | 241 | 212 | 106 |
| 121.01 | 237 | 226 | 104 |
| 145.11 | 217 | 202 | 95 |
| 319.33 | 208 | 28 | 91 |
| 231.25 | 153 | 116 | 67 |
| 213.10 | 137 | 134 | 60 |
| 193.09 | 116 | 154 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.143 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.115 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.115 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.091 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.043 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.043 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.043 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.043 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.043 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.036 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.036 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.036 | [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: 263.17374 |
| Splash: splash10-0a4i-0900000000-75e90bce99b32aca1564 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 109.12 | 53 | 154 | 1000 |
| 123.04 | 14 | 140 | 270 |
| 107.17 | 14 | 156 | 262 |
| 135.13 | 13 | 128 | 243 |
| 105.12 | 10 | 158 | 192 |
| 121.25 | 9 | 142 | 177 |
| 185.12 | 9 | 78 | 172 |
| 244.91 | 8 | 18 | 155 |
| 151.13 | 6 | 112 | 121 |
| 119.15 | 6 | 144 | 106 |
| 147.02 | 5 | 116 | 94 |
| 171.13 | 5 | 92 | 86 |
| 165.10 | 5 | 98 | 86 |
| 136.98 | 5 | 126 | 86 |
| 127.28 | 4 | 136 | 79 |
| 159.02 | 4 | 104 | 78 |
| 201.14 | 4 | 62 | 66 |
| 179.19 | 4 | 84 | 66 |
| 79.08 | 3 | 184 | 64 |
| 199.30 | 3 | 64 | 61 |
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 |