Answer questions 4, 5, 7 sesame oil and 8.

4. Identify all of the fatty acid methyl esters in your mixture by their corresponding M⁺ peak in the mass spectrum. Using the gas chromatography data, place a check next to the predominant fatty acid (represented by its fatty acid methyl ester) present in your oil or fat? Using reputable internet resources or your textbook, what human health characteristics have been linked to that fatty acid?

M+	Corresponding Fatty Acid Common Name (not FAME name)	Health Properties (list a book or website reference)

5. Go through your mass spectra and identify M-31 peaks on the table below (additional rows should be added as needed). Explain why your fatty acid methyl esters may contain an M-31 peak.

FAME	Retention Time	m/z of M-31 peak

6. Draw one representative McLafferty Rearrangement mechanism for any given fatty acid in your sample. You may define the alkyl chain as an R group after the carbons needed in the McLafferty mechanism. Use the Powerpoint from your mass spectrometry lecture if needed.

7. Is your oil/fat healthy or unhealthy, using our guidelines on the first powerpoint slide? What percentage of your oil/fat was unsaturated vs. saturated? What percentage of your unsaturated fatty acids were mono- vs. polyunsaturated?

8. Provide an evaluation of the overall class excel document. Which types and brands of oils and fats were healthiest? Are there trends or other interesting results? Would you suggest any interesting experiments that could answer a question you may have?

ALS Vial : 4 Sample Multiplier: 1 Integration Parameters: autointi.e Integrator: ChemStation Method Title : D:\msdchem\1\METHODS\standby both.M Abundance TIC: 5.D\data.ms 5.544 1600000 1500000 1400000 1300000 1200000 1100000 1000000 5.509 900000 800000 700000 600000 500000 400000 300000 4.167 200000 5.730 100000 5.50 6.00 6.50 7.00 7.50 8.00 8.50 Time--> 3.50 4.00 4.50 5.00 standby both.M Mon Mar 23 17:13:34 2020 Page: 2 Area Percent Report Data Path : D:\Data\C344\Sp20 FAMEs bjb\trial 2 Data File : 5.D Acq On 23 Mar 2020 16:53 Operator : bjb Sample sesame oil Misc ALS Vial : 4 Sample Multiplier: 1 Integration Parameters: autointi.e Integrator: ChemStation Method Title : D:\msdchem\1\METHODS\standby both.M Signal TIC: 5.D\data.ms peak # R.T. first max last PK peak min scan scan scan TY height corr. area corr. max. % of total 1 2 3 4 4.167 110 118 136 BV 5.509 252 264 265 BV 5.544 265 267 284 VV 5.730284 288 304 VB 208535 4389435 10.88% 844568 11909033 29.51% 1587855 40357128 100,00% 135631 36764799.11% 7.275% 19.739% 66.892% 6.094% Sum of corrected areas: 60332075 Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5.544 1600000 1400000 1200000 1000000 5.509 800000 600000 400000 4.167 200000 5.730 3.50 4.00 4.50 5.00 5.50 6.00 6.50 Scan 117 (4.162 min): 5.D\data.ms 7.00 7.50 8.00 Time--> Abundance 8.50 74.1 45000 40000 35000 30000 25000 20000 15000 43.1 55.1 10000 143.1 5000 2272 129.1 101.1 270.3 | 115.0 213.2 239.2 Other 281.0 m/z--> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 almal 157.1 171.1 185.2 199.1 Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5544 1600000 1400000 1200000 1000000 5.509 800000 600000 400000 200000 5.730 5.35 5.40 5.45 5.50 5.75 5.55 5.60 5.65 5.70 Scan 263 (5.504 min): 5.D\data.ms 5.80 5.85 Time--> Abundance 80000 5.90 67.1 70000 60000 50000 95.1 41.1 40000 30000 109.1 20000 123.1 10000 150.1 164.1 263.1 294.3 178.2 192.2 221.2 237.2 355.2 Other TY T TTTTTTTTTTTTTT m/z--> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 207.1 37.2 281.0 Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5544 1600000 1400000 1200000 1000000 5.509 800000 600000 400000 200000 5.730 5.35 5.40 5.45 5.50 5.75 5.80 5.85 5.90 Time--> Abundance 120000 5.55 5 .60 5.65 5.70 Scan 267 (5.541 min): 5.D\data.ms 55.1 110000 100000 90000 41.1 69.1 80000 70000 83.1 60000 97.1 50000 40000 30000 111.1 20000 264.3 125.1 180.2 222.2 10000 166.1 207.1 246.2 281.14 355.1 Or ht m/z--> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 m* * Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5/544 1600000 1400000 1200000 1000000 5,509 800000 600000 400000 200000 5.730 5.35 5.40 5.45 5.50 5.75 5.805 .85 5.90 Time--> Abundance 26000 5.55 5.60 5.65 5.70 Scan 287 (5.724 min): 5. D\data.ms 74.1 24000 22000 20000 18000 16000 14000 12000 10000 8000 6000 143.1 4000 207.0 97.1 255.2 2000 298.3 129.1 | 111.1 281.0 157.1 171.1 185.2 227,1241.3 355.1 wwwwwwww w w m/z-> 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 III. ALS Vial : 4 Sample Multiplier: 1 Integration Parameters: autointi.e Integrator: ChemStation Method Title : D:\msdchem\1\METHODS\standby both.M Abundance TIC: 5.D\data.ms 5.544 1600000 1500000 1400000 1300000 1200000 1100000 1000000 5.509 900000 800000 700000 600000 500000 400000 300000 4.167 200000 5.730 100000 5.50 6.00 6.50 7.00 7.50 8.00 8.50 Time--> 3.50 4.00 4.50 5.00 standby both.M Mon Mar 23 17:13:34 2020 Page: 2 Area Percent Report Data Path : D:\Data\C344\Sp20 FAMEs bjb\trial 2 Data File : 5.D Acq On 23 Mar 2020 16:53 Operator : bjb Sample sesame oil Misc ALS Vial : 4 Sample Multiplier: 1 Integration Parameters: autointi.e Integrator: ChemStation Method Title : D:\msdchem\1\METHODS\standby both.M Signal TIC: 5.D\data.ms peak # R.T. first max last PK peak min scan scan scan TY height corr. area corr. max. % of total 1 2 3 4 4.167 110 118 136 BV 5.509 252 264 265 BV 5.544 265 267 284 VV 5.730284 288 304 VB 208535 4389435 10.88% 844568 11909033 29.51% 1587855 40357128 100,00% 135631 36764799.11% 7.275% 19.739% 66.892% 6.094% Sum of corrected areas: 60332075 Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5.544 1600000 1400000 1200000 1000000 5.509 800000 600000 400000 4.167 200000 5.730 3.50 4.00 4.50 5.00 5.50 6.00 6.50 Scan 117 (4.162 min): 5.D\data.ms 7.00 7.50 8.00 Time--> Abundance 8.50 74.1 45000 40000 35000 30000 25000 20000 15000 43.1 55.1 10000 143.1 5000 2272 129.1 101.1 270.3 | 115.0 213.2 239.2 Other 281.0 m/z--> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 almal 157.1 171.1 185.2 199.1 Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5544 1600000 1400000 1200000 1000000 5.509 800000 600000 400000 200000 5.730 5.35 5.40 5.45 5.50 5.75 5.55 5.60 5.65 5.70 Scan 263 (5.504 min): 5.D\data.ms 5.80 5.85 Time--> Abundance 80000 5.90 67.1 70000 60000 50000 95.1 41.1 40000 30000 109.1 20000 123.1 10000 150.1 164.1 263.1 294.3 178.2 192.2 221.2 237.2 355.2 Other TY T TTTTTTTTTTTTTT m/z--> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 207.1 37.2 281.0 Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5544 1600000 1400000 1200000 1000000 5.509 800000 600000 400000 200000 5.730 5.35 5.40 5.45 5.50 5.75 5.80 5.85 5.90 Time--> Abundance 120000 5.55 5 .60 5.65 5.70 Scan 267 (5.541 min): 5.D\data.ms 55.1 110000 100000 90000 41.1 69.1 80000 70000 83.1 60000 97.1 50000 40000 30000 111.1 20000 264.3 125.1 180.2 222.2 10000 166.1 207.1 246.2 281.14 355.1 Or ht m/z--> 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 m* * Sample Name : sesame oil Misc Info : Vial Number: 4 Abundance TIC: 5.D\data.ms 5/544 1600000 1400000 1200000 1000000 5,509 800000 600000 400000 200000 5.730 5.35 5.40 5.45 5.50 5.75 5.805 .85 5.90 Time--> Abundance 26000 5.55 5.60 5.65 5.70 Scan 287 (5.724 min): 5. D\data.ms 74.1 24000 22000 20000 18000 16000 14000 12000 10000 8000 6000 143.1 4000 207.0 97.1 255.2 2000 298.3 129.1 | 111.1 281.0 157.1 171.1 185.2 227,1241.3 355.1 wwwwwwww w w m/z-> 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360