ピーク情報
|
こめ ［水稲穀粒］ 玄米
pos
|
| Peak #3112 MN MID: SE122_S010801_M90 |
| m/z: 597.50935, RT: 97.59, 強度: 43178, ログ強度: 1.25, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 15 |
| DB検索結果: (34 names) TG(8:0/8:0/17:0);TG(i-12:0/8:0/a-13:0)[rac];TG(8:0/8:0/a-17:0)[rac];TG(12:0/8:0/a-13:0)[rac];TG(10:0/8:0/15:0);TG(8:0/13:0/i-12:0);TG(12:0/8:0/i-13:0);TG(10:0/15:0/8:0);TG(12:0/8:0/13:0);TG(8:0/i-13:0... |
| DBごとのヒット数: ALL 34 HM 34 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
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 |
|---|---|---|---|---|
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/8:0/17:0) | HMDB: HMDB0072345, HMDB0105196 |
| C36H68O6 | 596.50159 | 0.803 | TG(i-12:0/8:0/a-13:0)[rac] | HMDB: HMDB0094828, HMDB0096566 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/8:0/a-17:0)[rac] | HMDB: HMDB0072121, HMDB0105194 |
| C36H68O6 | 596.50159 | 0.803 | TG(12:0/8:0/a-13:0)[rac] | HMDB: HMDB0094832, HMDB0096565 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/8:0/15:0) | HMDB: HMDB0071972, HMDB0100889 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/13:0/i-12:0) | HMDB: HMDB0072686, HMDB0095056 |
| C36H68O6 | 596.50159 | 0.803 | TG(12:0/8:0/i-13:0) | HMDB: HMDB0094831, HMDB0096568 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/15:0/8:0) | HMDB: HMDB0071821, HMDB0072489 |
| C36H68O6 | 596.50159 | 0.803 | TG(12:0/8:0/13:0) | HMDB: HMDB0094830, HMDB0096569 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/i-13:0/12:0) | HMDB: HMDB0071864, HMDB0095054 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/a-15:0/8:0)[rac] | HMDB: HMDB0071456, HMDB0072420 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/10:0/i-13:0) | HMDB: HMDB0071858, HMDB0096653 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/13:0/12:0) | HMDB: HMDB0071277, HMDB0095057 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/10:0/a-13:0)[rac] | HMDB: HMDB0072048, HMDB0096652 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/8:0/a-15:0)[rac] | HMDB: HMDB0071925, HMDB0100887 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/8:0/i-15:0) | HMDB: HMDB0072725, HMDB0100888 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/10:0/13:0) | HMDB: HMDB0071616, HMDB0096654 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/i-12:0/i-13:0) | HMDB: HMDB0072006, HMDB0096742 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/i-12:0/a-13:0)[rac] | HMDB: HMDB0071223, HMDB0096741 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/i-13:0/i-12:0) | HMDB: HMDB0071400, HMDB0095055 |
| C36H68O6 | 596.50159 | 0.803 | TG(10:0/i-15:0/8:0) | HMDB: HMDB0071842, HMDB0071928 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/10:0/a-15:0)[rac] | HMDB: HMDB0071893, HMDB0100974 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/12:0/i-13:0) | HMDB: HMDB0072166, HMDB0096743 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/a-13:0/12:0)[rac] | HMDB: HMDB0072811, HMDB0095052 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/8:0/i-17:0) | HMDB: HMDB0071439, HMDB0105195 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/10:0/i-15:0) | HMDB: HMDB0072572, HMDB0100975 |
| C36H68O6 | 596.50159 | 0.803 | TG(i-12:0/8:0/i-13:0) | HMDB: HMDB0094827, HMDB0096567 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/12:0/a-13:0)[rac] | HMDB: HMDB0071326, HMDB0096740 |
| C36H68O6 | 596.50159 | 0.803 | TG(i-12:0/8:0/13:0) | HMDB: HMDB0094829, HMDB0096570 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/i-12:0/13:0) | HMDB: HMDB0072650, HMDB0096739 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/10:0/15:0) | HMDB: HMDB0071845, HMDB0100976 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/a-13:0/i-12:0)[rac] | HMDB: HMDB0072569, HMDB0095053 |
| C36H68O6 | 596.50159 | 0.803 | TG(8:0/12:0/13:0) | HMDB: HMDB0071508, HMDB0096744 |
| C36H68O6 | 596.50159 | 0.803 | Glycerol triundecanoate | HMDB: HMDB0031089 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 597.50885 |
| Splash: splash10-01sj-0090030000-69cf8b64c38610bdbeab |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 281.23 | 967 | 316 | 1000 |
| 579.28 | 753 | 18 | 778 |
| 263.26 | 401 | 334 | 414 |
| 299.04 | 354 | 298 | 366 |
| 245.16 | 253 | 352 | 262 |
| 561.43 | 99 | 36 | 102 |
| 317.01 | 51 | 281 | 53 |
| 189.06 | 50 | 408 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 2(C-Glu))-B(1OH) | Flavanone | 6,8-Di-C-glucopyranosylnaringenin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(3OH) | Flavone | Tricetin 6-C-glucoside-8-C-arabinoside |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(3OH) | Flavone | Tricetin 6-C-arabinoside-8-C-glucoside |
| Level: 3, プリカーサーm/z: 579.38245 |
| Splash: splash10-001j-0190020000-1c90c411449403db4c5d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 281.33 | 51 | 298 | 1000 |
| 245.31 | 26 | 334 | 504 |
| 561.51 | 12 | 18 | 244 |
| 279.40 | 10 | 300 | 190 |
| 547.48 | 9 | 32 | 172 |
| 273.19 | 8 | 306 | 156 |
| 207.10 | 8 | 372 | 154 |
| 551.16 | 8 | 28 | 153 |
| 177.16 | 8 | 402 | 150 |
| 299.33 | 6 | 280 | 120 |
| 189.26 | 5 | 390 | 105 |
| 284.22 | 5 | 295 | 99 |
| 185.17 | 4 | 394 | 81 |
| 481.53 | 4 | 98 | 74 |
| 285.36 | 4 | 294 | 69 |
| 300.11 | 3 | 279 | 61 |
| 178.85 | 3 | 401 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1(O-p-Coumaroyl)-C-Glu))-B(1OH) | Flavone | Vitexin 2''-O-p-coumarate |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Arabinosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH) | Flavone | Violanthin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(1OH) | Flavone | Isoviolanthin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Chinovosyl))-B(1OH) | Flavone | Violarvensin |
| 0.000 | [Flavone]-A(2OH, 2(C-Rhamnosyl))-B(2OH) | Flavone | 6,8-Di-C-rhamnopyranosylluteolin |
| Level: 3, プリカーサーm/z: 281.25906 |
| Splash: splash10-03dj-2790000000-f9bb837848fc5736d70d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.33 | 45 | 18 | 1000 |
| 245.32 | 32 | 36 | 714 |
| 235.18 | 11 | 46 | 235 |
| 163.25 | 9 | 118 | 201 |
| 171.17 | 9 | 110 | 190 |
| 97.16 | 8 | 184 | 180 |
| 164.98 | 8 | 116 | 177 |
| 152.91 | 8 | 128 | 174 |
| 123.05 | 8 | 158 | 172 |
| 139.13 | 6 | 142 | 122 |
| 179.18 | 5 | 102 | 117 |
| 149.05 | 5 | 132 | 105 |
| 99.04 | 4 | 182 | 100 |
| 185.19 | 4 | 96 | 98 |
| 84.86 | 4 | 196 | 98 |
| 141.34 | 4 | 140 | 95 |
| 181.21 | 4 | 100 | 90 |
| 121.05 | 4 | 160 | 84 |
| 91.10 | 4 | 190 | 79 |
| 111.36 | 4 | 170 | 79 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpan | Neodunol |