Acetic acid: Put in the molecular formula of the ions responsible for peaks at 45 and 43. Use the following order: C, H, O and include a '+' at the end. A formatting example for mass of 44 would be C2H4O+
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- 1. What do you suppose is the molecular weight of the molecule that gives the mass spectrum below? Rel Abund 100 27 26 55 HUL 45 40 80- 60- 40- 20- 0. m/z0 10 Rel Abund Relative Abundance Formula 1: 20 Formula 2: Formula 3: 30 50 m/z = mass divided by charge 60 72 70 80 2. Provide three different molecular formulas (organic molecules, please) that are possible for a molecule with the molecular weight you have chosen. What are the degrees of unsaturation (SODAR) for each? Degrees of unsaturation: Degrees of unsaturation: Degrees of unsaturation: 90 100Methyl benzoate: Put in the molecular formula of the ions responsible for peaks at 77 and 105. Use the following order: C, H, O and include a '+' at the end. A formatting example for mass of 44 would be C2H4O+ 100 MS-N-0656 80 60 40 20 25 50 75 100 125 = 77 = 105 Relative IntensityIsoamyl alcohol: Match the peaks to the appropriate number on the structure. A letter may correspond to more than one number. e a Он d. 1.7 PPK 1 4 3.5 3.0 2.5 2.0 1.5 1.0 0.5 PPM 3 f 1. 1 1 C - 2. 2 _1 d 3. 3 2 e 5 a 4. 4 5. 5 2 b arisea oyl alcehel
- Isoamyl acetate: Put in the molecular formula of the ions responsible for peaks at 59 (involving O) and 71. Use the following order: C, H, O and include a '+' at the end. A formatting example for mass of 44 would be C2H4O+ L00 MS-NW-0039 80 60 40 - 20 - M.I. 25 50 75 100 125 СЗНЗ02+ = 59 C5H11+ = 71The M+ peak is at 136. What does is mean to have the [M+2] peak at 138? What is the chemical formula and the structure for the M+ peak? What are the structures for the peaks at 57, 43, and 29 m/z?Isoamyl acetate: Match the peaks to the appropriate number on the structure. A letter may correspond to more than one number. e 5 9 a b c d d. I 3. 6. 200 180 160 140 120 100 80 60 40 4 g 1. 1 3_ a 2. 2 5 e 3. 3 5 f 4. 4 1 b 2 c 5. 5 6. 6 6 d 20
- 1. What do you suppose is the molecular weight of the molecule that gives the mass spectrum below? 27 Hai 55 26 45 30 40 50 Rel Abund 100r 80- 60- 40- 20- 0- m/z0 10 Rel Abund = Relative Abundance Formula 1: 20 Formula 2: Formula 3: m/z = mass divided by charge 3. What is the base peak? 2. Provide three different molecular formulas (organic molecules, please) that are possible for a molecule with the molecular weight you have chosen. What are the degrees of unsaturation (SODAR) for each? Degrees of unsaturation: Degrees of unsaturation: Degrees of unsaturation: 60 4. Draw a possible molecule for each formula. based on Formula 1 5. Which structure do you think is correct? 72 70 based on Formula 2 80 What mass is lost from the molecular ion to get to the base peak? 90 100 based on Formula 3Isoamyl acetate: Match the peaks to the appropriate number on the structure. A letter may correspond to more than one number. e a b с d 3H 1.7 PPM 1 4 3 3.5 3.0 2.5 2.0 1.5 1.0 0.5 PPM за 1. 1 3 d 2. 2 2 e 3. 3 4 f 4. 4 4 c 5. 5 _1 bDetermine the compound (name or structure) from the data. Explain features from each data Molecular formula: C3H8O -Use molecular formula to determine IHD -IR: Identify the presence/absence of five key functional groups -NMR: Analyze this last. Consider multiplicity and peak area to confirm compound -Structure?
- 5. Tyrosine is an important amino acid in Biochemistry. Assign the peaks in the 'H-NMR to the hydrogens in the structure of tyrosine by placing a, b, c, and d in the appropriate corresponding boxes. The hydrogen atoms attached to O and N atoms do not need to be labeled on this spectrum. с 11 10 16 00 a H. H- H H -*|| NH₂ Tyrosine d -H ppmcan you help label peaks 100 2156.91am-1, 100 53%T 95 1668.76om-1. 07 60%T 3011.71cm-1, 04T s60 80cm-1 9494%T 90 52cm 140.sam-1. 85 Wo nem-1, no oNT 80 12 0Som-.00%T 7dom-1, 8287%T h200 05cm-1, 7 T 720 5ecm-1, 80.09%T 75 1000.001, 77.85%T 1404 Soom-1, 74.12%T 70 1045.02cm-1, 70.55%T anona ic 65 28 73am-1, 63.53%T 60 55 2920.om-1, 52.52%T 51- 4000 3000 2000 cm-1 3500 2500 1500 1000 450c) The mass spectrum of 2,3-dibromopentane (CH; CHBr CHBr CH₂ CH3) includes the following peaks. Mass number (m/z) Relative abundance 15 29 107 109 199 201 203 i. What is the mass number of molecular ion, [CH; CHBr CHBr CH₂ CH₂]? Show your working. ii. Identify the molecular formula (including isotopic composition where relevant) of the 6 peaks. a b d 22 e f Mass number (m/z) 15 29 107 109 199 100 39 44 45 0.3 0.6 0.3 201 203 Molecule formula [CH₂]