TABLE II.
Highest positive and negative PC1 loadings from the polymerized methane data. m/z, centroid mass; PC01, loading value on PC1; Labels, most likely identity based on the centroid mass.
| m/z | PC01 | Labels |
|---|---|---|
| 69.0728 | 0.179 | C5H9 |
| 81.0741 | 0.15 | C6H9 |
| 95.0868 | 0.1184 | C7H11 |
| 105.0691 | 0.1171 | C8H9 |
| 165.0578 | 0.1109 | C9H9O3 |
| 57.07 | 0.1084 | C4H9 |
| 119.0899 | 0.1076 | C9H11 possible |
| 67.0557 | 0.1054 | C5H7 |
| 43.0547 | 0.1044 | C3H7 |
| 109.104 | 0.0965 | C8H13 |
| 83.0896 | 0.0943 | C6H11 |
| 93.0706 | 0.0935 | C7H9 |
| 141.0628 | 0.0934 | C10H7N or C11H9 |
| 179.0727 | 0.0903 | C10H11O3 |
| 131.0863 | 0.0885 | C10H11 |
| 145.0993 | 0.0874 | C11H13 |
| 155.0781 | 0.0859 | C12H11 or C11H9N or C8H1103 |
| 143.0805 | 0.0831 | C11H11 |
| 215.0616 | 0.0816 | C13H11O3 |
| 202.0476 | 0.0815 | C12H10O3 |
| 91.0538 | 0.0812 | C7H7 |
| 107.0867 | 0.0803 | C8H11 |
| 129.0679 | 0.078 | C10H9 |
| 157.0967 | 0.0758 | C12H13 |
| 133.1016 | 0.0753 | C10H13 |
| 121.1075 | 0.0747 | C9H13 |
| 142.0712 | 0.0738 | C11H10 or C10H8N |
| 191.0658 | 0.0734 | C11H11O3 |
| 189.0501 | 0.0716 | C11H9O3 |
| 169.093 | 0.0712 | C13H13 or C9H13O3 |
| 193.0887 | 0.0706 | C11H13O3 or C15H13 |
| 39.0222 | −0.3128 | C3H3 |
| 27.0233 | −0.2949 | C2H3 |
| 50.0135 | −0.1954 | C4H2 |
| 51.0224 | −0.179 | C4H3 |
| 38.0137 | −0.1779 | C3H2 |
| 62.013 | −0.1396 | C5H2 |
| 26.0148 | −0.1374 | C2H2 |
| 63.0217 | −0.1353 | C5H3 |
| 37.0057 | −0.1349 | C3H |
| 42.9981 | −0.1345 | C2F |
| 30.0344 | −0.1339 | CH4N |
| 29.0018 | −0.13 | CHO |
| 74.0171 | −0.127 | C6H2 |
| 15.0234 | −0.1209 | CH3 |
| 40.0296 | −0.102 | C3H4 |
| 29.0393 | −0.0969 | C2H5 |
| 42.0342 | −0.093 | C2H4N |
| 52.0299 | −0.0928 | C4H4 |
| 31.0182 | −0.0875 | CH3O |
| 75.0288 | −0.0836 | C6H3 |
| 86.0148 | −0.0828 | C7H2 |
| 49.0037 | −0.081 | C4H possible |
| 85.0108 | −0.0789 | C7H |
| 98.0116 | −0.0701 | C8H2 |
| 42.0089 | −0.0643 | C2H2O |
| 11.9991 | −0.0607 | C |
| 73.0116 | −0.0599 | C6H |
| 56.0485 | −0.0597 | C3H6N |
| 22.9896 | −0.0576 | Na |
| 45.0333 | −0.0551 | C2H5O |
| 13.0073 | −0.0547 | CH |