Table 1.
Acyl-CoAs Detected in Mouse Livera
| # | name (MS/MS) | method | RT (exp) | m/z (exp) | m/z error (mDa) | m/z error (ppm) | logD (calc) | k’ |
|---|---|---|---|---|---|---|---|---|
|
| ||||||||
| 1* | glutathione-CoA | long | 0.46 | 1073.1906 | 0.12 | 0.11 | −19.58 | 0.0 |
| glutathione-CoA | short | 0.83 | 1073.1947 | 4.03 | 3.76 | −19.58 | 0.8 | |
| 2 | succinyl-CoA | short | 0.94 | 868.1411 | 2.56 | 2.95 | −14.58 | 1.1 |
| 3 | 3-hydroxybutanoyl-CoA | short | 2.08 | 854.1595 | 0.24 | 0.28 | −11.64 | 3.6 |
| 4 | acetyl-CoA | short | 2.00 | 810.1342 | 1.16 | 1.43 | −11.60 | 3.4 |
| 5 | free CoA | long | 0.49 | 768.1223 | 0.19 | 0.25 | −11.44 | 0.1 |
| free CoA | short | 0.98 | 768.1222 | 0.28 | 0.37 | −11.44 | 1.2 | |
| 6 | propionyl-CoA | short | 3.28 | 824.1474 | 1.28 | 1.55 | −10.90 | 6.3 |
| 7 | C4:0-CoA (isobutyryl-CoA) | short | 3.81 | 838.1649 | 0.61 | 0.73 | −10.36 | 7.5 |
| 8 | C5:0-CoA (isovaleryl-CoA) | short | 4.29 | 852.1779 | 2.07 | 2.43 | −9.80 | 8.5 |
| 9 | C6:0-CoA (hexanoyl-CoA) | short | 5.08 | 866.1960 | 0.36 | 0.42 | −9.57 | 10.3 |
| 10* | 3-phenylpropanoyl-CoA | short | 5.50 | 900.1789 | 1.10 | 1.22 | −9.25 | 11.2 |
| 11* | C7:0-CoA (2-methylhexanoyl-CoA) | short | 5.75 | 880.2101 | 1.22 | 1.39 | −9.03 | 11.8 |
| 12 | C8:0-CoA (octanoyl-CoA) | short | 6.31 | 894.2252 | 1.71 | 1.91 | −8.88 | 13.0 |
| 13* | perillyl-CoA | short | 6.22 | 916.2101 | 1.22 | 1.33 | −8.73 | 12.8 |
| 14 | C14:0-CoA (myristoyl-CoA) | short | 7.90 | 978.3201 | 0.73 | 0.75 | −6.01 | 16.6 |
| 15* | C14:1-CoA (2-tetradecenoyl-CoA) | short | 8.33 | 976.3001 | 5.08 | 5.20 | −5.78 | 17.5 |
| 16 | Cl6:1-CoA | long | 3.42 | 1004.3381 | 1.64 | 1.64 | −5.48 | 6.6 |
| Cl6:1-CoA | short | 8.07 | 1004.3369 | 0.42 | 0.42 | −5.48 | 16.9 | |
| 17 | C18:3-CoA (linolenoyl-CoA) | short | 8.03 | 1028.3320 | 4.40 | 4.28 | −5.32 | 16.8 |
| 18* | C16:0-CoA (palmitoyl-CoA) | long | 3.78 | 1006.3528 | 0.67 | 0.67 | −5.12 | 7.4 |
| C16:0-CoA (palmitoyl-CoA) | short | 8.66 | 1006.3526 | 0.49 | 0.49 | −5.12 | 18.2 | |
| 19 | C18:2-CoA (linoleyl-CoA) | long | 3.62 | 1030.3511 | 1.10 | 1.07 | −4.96 | 7.0 |
| C18:2-CoA (linoleyl-CoA) | short | 8.34 | 1030.3524 | 0.25 | 0.24 | −4.96 | 17.5 | |
| 20 | C20:4-CoA (arachidonyl-CoA) | long | 3.56 | 1054.3501 | 2.07 | 1.96 | −4.79 | 6.9 |
| C20:4-CoA (arachidonyl-CoA) | short | 8.29 | 1054.3513 | 0.85 | 0.81 | −4.79 | 17.4 | |
| 21* | C22:6-CoA | short | 8.30 | 1078.3512 | 3.06 | 2.84 | −4.63 | 17.4 |
| 22* | C20:3-CoA | long | 3.65 | 1056.3619 | 5.86 | 5.55 | −4.43 | 7.1 |
| 23 | C18:1-CoA (oleoyl-CoA) | long | 3.83 | 1032.3683 | 0.49 | 0.47 | −4.00 | 7.5 |
| C18:1-CoA (oleoyl-CoA) | short | 8.77 | 1032.3690 | 1.22 | 1.18 | −4.00 | 18.5 | |
a
Asterisks (*) indicate the novel spectra.