Table 1. Summary of major N-SOA components measured by TD-GC/MS.
No. | Name | Structure | Molecular Weight (g/mol) | Retention Time (min) | Retention Indexa (measured) | Retention Indexb (literature) | MS Matchc | MS Reverse Matchc |
---|---|---|---|---|---|---|---|---|
1 | Benzoic acid | 122.12 | 7.37 | 1167 | 1170 | 894 | 913 | |
2 | Phthalic acid | 166.14 | 9.19 | 1299 | n.a.d | 977 | 976 | |
3 | 1-Isobenzofuranone | 134.13 | 9.64 | 1333 | n.a. | 903 | 935 | |
4 | 1,3-Indandione | 146.14 | 9.79 | 1344 | 1358 | 890 | 931 | |
5 | 1,4-Naphthoquinone | 158.15 | 10.54 | 1402 | 1404 | 839 | 883 | |
6 | 1,5-Naphthalenediol | 160.17 | 11.38 | 1469 | n.a. | 832 | 833 | |
7 | 2-Acetylbenzoic acid | 164.16 | 11.55 | 1483 | n.a. | 921 | 937 | |
8 | 1-Naphthalenol | 144.17 | 11.82 | 1505 | 1525 | 877 | 883 | |
9 | 2-Naphthalenol | 144.17 | 11.98 | 1518 | 1536 | 914 | 915 | |
10 | 2-Hydroxy-1,4-naphthoquinone | 174.15 | 12.20 | 1537 | n.a. | 887 | 903 | |
11 | 2-Formyl-cinnamaldehyde | 160.17 | 13.70 | 1666 | n.a. | n.a | n.a | |
12 | 2,3-Naphthalenediol | 160.17 | 15.13 | 1799 | n.a. | 913 | 920 | |
13 | (3-Oxo-1,3-dihydro-2-benzofuran-1-yl)acetic acid | 192.17 | 15.51 | 1836 | n.a. | 883 | 889 |
Compounds were identified by comparing measured retention indices to literature values, and/or by mass spectral matching. N-SOA composition revealed in this study is consistent with that measured previously27.
aRetention index was calibrated using n-alkane standard. Calculation of retention indices is illustrated in detail in Supporting Information.
bReference literature for the retention indices of listed components can be found in Supporting Information.
cThe fragmentation mass spectral patterns for SOA components were compared to the NIST EI-MS Library. Only peaks with Match and Reverse Match factors greater than 800 are listed.
dn.a. indicates that retention index is not available in the literature.