| Analyte Code |
RRT in LC MS |
MS-ES or
MS-MS |
m/z value |
Measured Mass |
Best possible molecular formulae |
Exact Mass |
PPM error |
| AMD14 |
0.69 |
MS-ES |
231.0760 |
230.0760 |
C14H14OS |
230.0765 |
2.17 |
| |
|
|
167.0860 |
167.0860 |
C13H11+ |
167.0855 |
-2.99 |
| |
|
|
168.0868 |
167.0868 |
C13H11+ |
167.0855 |
-7.78 |
| AMD |
1.00 |
MS-ES |
296.0729 |
273.0831 |
C15H15NO2S |
273.0823 |
-2.93 |
| |
|
|
167.0852 |
167.0852 |
C13H11+ |
167.0855 |
1.80 |
| |
|
|
168.0843 |
167.0843 |
C13H11+ |
167.0855 |
7.18 |
| |
|
|
157.0249 |
156.0249 |
C7H8O2S |
156.0245 |
-2.56 |
| |
|
|
126.0143 |
125.0143 |
C2H7NO3S |
125.0147 |
3.20 |
| AMD1 |
1.49 |
MS-ES |
259.0721 |
258.0721 |
C15H14O2S |
258.0715 |
-2.32 |
| |
|
|
247.0719 |
246.0719 |
C14H14O2 |
246.0715 |
-1.63 |
| |
|
|
167.0850 |
167.0850 |
C13H11+ |
167.0855 |
2.99 |
| |
|
|
168.0845 |
167.0845 |
C13H11+ |
167.0855 |
5.98 |
| |
|
|
157.0252 |
156.0252 |
C7H8O2S |
156.0245 |
-4.49 |
| AMD6 |
2.17 |
MS-ES |
233.0560 |
232.0560 |
C13H12O2S |
232.0558 |
-0.86 |
| |
|
|
167.0851 |
167.0851 |
C13H11+ |
167.0855 |
2.39 |
| |
|
|
125.0341 |
124.0341 |
C7H8S |
124.0347 |
4.84 |
|
