I really never used a Mass spec for anything other than determining the mass and seeing if there is an odd number of N, or Br or Cl. I am taking Chemical Synthesis and some homework assigned by the professor who is doing the inorganic side of synthesis is to determine the structure of a molecule using only its mass spec.
Data:
Mass Intensity
45 471
49 830
51 403
59 111
73 678
75 342
78 623
84 337
86 169
96 18
103 17
119 21
125 27
133 252
134 17
142 7
147 3
149 4
177 11
179 5
191 66
193 133
207 158
208 9
209 5
249 25
251 8
265 59
266 3
267 8
281 1000
282 224
283 118
Because I have an odd MW (281) I now I have an odd number of N. I don't think there is any Cl or Br. I'm hoping that the only atoms in the molecule or C, H, N and O.
Now I'm a little confused, but I thought that mass spec was supposed to give "nested" segments. Which means I should be able to piece together the original molecule based on the fragments.
So 281 = 84+75+73+49 (using the smallest fragments possible)
I can use the other fragments to build all the other fragments found, with the exception of 78, 177, 249, 251??
So how do I go about figuring what the fragments are?
Thanks,
-Serena