Skip to main content
. 2024 Feb 5;42(2):023416. doi: 10.1116/6.0003249

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