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​The molecular ion peak [M]+ of an analyte as measured by Electron Ionization Mass Spectrometry has an m/z of 149 and a relative abundance of 100%. Th
Question

The molecular ion peak [M]+ of an analyte as measured by Electron Ionization Mass Spectrometry has an m/z of 149 and a relative abundance of 100%. The [M]+ has a relative abundance of 6.7% and the [M + 2]+ peak has a relative abundance of 5%. The abundance of the major isotope of H, C, N, O, and S are 1H-100%, 12C -98.9%, 13C -1.1%, 14N -99.6%, 15N -0.4%, 16O -99.8%, 18O -0.2%, 32S -95.0%, 33S -0.75% and 34S -4.2%. The most probable molecular formula of the compound is:

A.

C7H21N2OC_7 H_21 N_2 O​​

B.

C5H11NO2SC_5 H_11 NO_2 S​​

C.

C6H13O2SC_6 H_13 O_2 S​​

D.

C6H15NOSC_6 H_15 NOS​​

Correct option is B

Explanation-

Given:
Molecular ion peak [M]⁺ at m/z = 149, 100% abundance.
Another peak at m/z = 150 with 6.7% abundance → indicates ¹³C isotope peak.
[M + 2]⁺ peak with 5% abundance → suggests presence of Sulfur (S), especially ³⁴S.

Step 1: Check [M + 1]⁺ peak (m/z = 150, 6.7%)
This peak is due to ¹³C, which has a natural abundance of 1.1%.
Calculation of the number of carbon atoms:
                                                               Relative abundance of [M+1]+Abundance of 13C=6.71.16.1\frac{\text{Relative abundance of } [M + 1]^+}{\text{Abundance of } ^{13}C} = \frac{6.7}{1.1} \approx 6.1

So, approximately 6 carbon atoms. Most likely 5–6 C atoms.
Step 2: Check [M + 2]⁺ peak (m/z = 151, 5%)
This is due to the ³⁴S isotope, which has 4.2% abundance.
If the [M+2] peak is around 5%, it's strongly indicative of one sulfur atom:
For one sulfur atom:     M+2 peak ≈ 4.2
Observed: 5% => confirms one sulfur atom.​​

Step 3: Molecular Weight Matching
Look for the compound whose molecular weight is 149.

Option b : C₅H₁₁NO₂S

C = 5 × 12 = 60
H = 11 × 1 = 11
N = 1 × 14 = 14
O = 2 × 16 = 32
S = 1 × 32 = 32
Total = 60 + 11 + 14 + 32 + 32 = 149 g/mol 
Also:
~5 carbon atoms → Matches [M+1] peak (6.7%)
1 sulfur atom → Matches [M+2] peak (5%)

Final Answer: Option b  – C₅H₁₁NO₂S


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