Table 1.
Name | [M − H]−obs | [M − H]−exact | Formula | Error | %RA | |
---|---|---|---|---|---|---|
SA | SM | |||||
Coumaric acid | 163.0386 | 163.0389 | C9H8O3 | 2.1 | 0.18 | --- |
Capric acid | 171.1352 | 171.1379 | C10H20O2 | 3.5 | 0.36 | 0.25 |
Coniferaldehyde | 177.0557 | 177.0546 | C10H10O3 | 3.6 | 0.54 | --- |
n-Nonanedioic acid | 187.1001 | 187.0964 | C9H16O4 | 4.1 | 0.18 | 0.25 |
Ferulic acid | 193.0473 | 193.0495 | C10H10O4 | 2.5 | 0.18 | --- |
Lauric acid | 199.1689 | 199.1692 | C12H24O2 | 2.5 | 0.18 | 0.25 |
Myristic acid | 227.2003 | 227.2005 | C14H28O2 | 1.9 | 0.72 | 1.02 |
n-Pentadecanoic acid | 241.2144 | 241.2162 | C15H30O2 | 3.9 | 0.72 | 1.02 |
Palmitic acid | 255.2322 | 255.2318 | C16H32O2 | 2.0 | 2.88 | 3.29 |
Hexyl 2-(4-hydroxy-3-methoxy-phenyl) acetate | 265.1481 | 265.1434 | C15H22O4 | 4.2 | --- | 1.77 |
16-hydroxypalmitic acid | 271.2257 | 271.2267 | C16H32O3 | 2.6 | 6.12 | 1.52 |
Linoleic acid | 279.2330 | 279.2318 | C18H32O2 | 3.1 | 2.02 | |
10,16-DHPA | 287.2209 | 287.2216 | C16H32O4 | 2.6 | 69.84 | 44.02 |
Heptadecanedioic acid | 299.2228 | 299.2216 | C17H32O4 | 3.4 | 2.88 | 1.26 |
8-hydroxyhexadecane dioic acid | 301.2017 | 301.2009 | C16H30O5 | 4.2 | 5.76 | 1.52 |
18-hydroxy-9S,10R-epoxy-octadecanoic acid | 313.2387 | 313.2373 | C18H34O4 | 3.9 | --- | 9.36 |
9,10,18-trihydroxy-octadecanoic acid | 331.2487 | 331.2479 | C18H36O5 | 2.4 | 2.88 | 24.03 |
2,3-Divanillyl-1,4-butanediol | 361.1563 | 361.1645 | C20H26O6 | 4.5 | 2.16 | 4.05 |
[M − H]−exact: Molecular Weight exact, [M − H]−obs: Molecular Weight observed, % RA: % Relative Area. Error [ppm]: Absolute value of the deviation between measured mass and theoretical mass of the selected peak in [ppm].