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. 2017 Feb 7;7:42317. doi: 10.1038/srep42317

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 Inline graphic 122.12 7.37 1167 1170 894 913
2 Phthalic acid Inline graphic 166.14 9.19 1299 n.a.d 977 976
3 1-Isobenzofuranone Inline graphic 134.13 9.64 1333 n.a. 903 935
4 1,3-Indandione Inline graphic 146.14 9.79 1344 1358 890 931
5 1,4-Naphthoquinone Inline graphic 158.15 10.54 1402 1404 839 883
6 1,5-Naphthalenediol Inline graphic 160.17 11.38 1469 n.a. 832 833
7 2-Acetylbenzoic acid Inline graphic 164.16 11.55 1483 n.a. 921 937
8 1-Naphthalenol Inline graphic 144.17 11.82 1505 1525 877 883
9 2-Naphthalenol Inline graphic 144.17 11.98 1518 1536 914 915
10 2-Hydroxy-1,4-naphthoquinone Inline graphic 174.15 12.20 1537 n.a. 887 903
11 2-Formyl-cinnamaldehyde Inline graphic 160.17 13.70 1666 n.a. n.a n.a
12 2,3-Naphthalenediol Inline graphic 160.17 15.13 1799 n.a. 913 920
13 (3-Oxo-1,3-dihydro-2-benzofuran-1-yl)acetic acid Inline graphic 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.