Complement your mass spectrometry data with C and H NMR data if you want to identify novel compounds from your sample. Mass spectrometry alone is useful if you just want to compare your isolated compounds with those already found in literature. All you have to do is compare your m/z data with identified compounds found in past studies.
Only Mass spectrometry will not be sufficient enough to characterize a known compound, you have carry out other spectroscopic analysis like UV, IR , proton and carbon - NMR in order to a have precise idea of molecular structure. If the target compound in your watery fraction is known with reported MS data you can you may achieve separation as ell as can get some idea about the identity through LC-MS.