Table S3.
Compound peaks detected from GC-MS analysis of samples for evaluation of non-polar secondary metabolite patterns of 5 cryptic species of P. hornemanni found in Batanes, Philippines. Identifications based on comparison of either Kovat’s Indices (KI) of compounds retrieved from the Retention Index Calculator [37] or mass spectral comparison of compounds retrieved from NIST or MassBase. Asterisk (*) indicates compounds with parent ions showing halogenated mass spectral patterns.
| # | Sample | Base Peak | KI | KI Based ID | Mass Spectra Based ID | |||
|---|---|---|---|---|---|---|---|---|
| RT (min) | Nearest KI | Lucero et al. [37] | NIST | Massbase | ||||
| 1 | B4B | 57 | 8.1122 | 1065 | 1062 | y-terpinene | - | - |
| 2 | B4C | 69 | 8.7386 | 1085 | 1085 | artemisia-alcohol | - | - |
| 3 | B4C | 57 | 9.1807 | 1098 | 1097 | linalool | - | - |
| 4 | B4B | 71 | 9.1841 | 1098 | 1097 | linalool | - | - |
| 5 | B6C | 57 | 9.4047 | 1106 | 1099 | linalool | 3-hexanone, 2,2-dimethyl- | 2-methylbutane |
| 6 | B4C | 69 | 11.2515 | 1172 | 1171 | ethyl-benzoate | - | - |
| 7- * (Cl) | B3A | 69 | 11.2560 | 1172 | 1171 | ethyl-benzoate | - | - |
| 8 | B4A | 57 | 14.3547 | 1279 | 1277 | trans-carvone-oxide | - | 2,2-dimethylbutane |
| 9 | B4B | 57 | 14.3593 | 1279 | 1277 | trans-carvone-oxide | - | 3-ethylhexane |
| 10 | B3B | 57 | 14.5560 | 1285 | 1286 | borneol-acetate | - | |
| 11 | B3A | 69 | 15.2678 | 1310 | 1306 | undecanal | - | trans-4-octene |
| 12 | B3A | 57 | 15.6497 | 1325 | 1314 | 2E,4E-decadienal | - | |
| 13 | B6B | 57 | 15.6518 | 1325 | 1314 | 2E,4E-decadienal | - | |
| 14 | B4A | 71 | 16.5884 | 1360 | 1357 | eugenol | - | 2-methylpentane |
| 15 | B6C | 57 | 17.8154 | 1403 | 1403 | italicene | - | 2,2-dimethylbutane |
| 16 | B3A | 57 | 17.8289 | 1404 | 1403 | italicene | - | |
| 17 | B10 | 71 | 20.306 | 1500 | 1499 | a-muurolene | - | Pentacosane |
| 18 | B3A | 57 | 20.4025 | 1504 | 1506 | d-selinene | - | tripropylamine |
| 19 | B4A | 191 | 20.715 | 1517 | 1514 | sesquicineole | - | |
| 20 | B6C | 57 | 21.0008 | 1529 | 1532 | cadina-1,4-diene | - | |
| 21- * (Br) | B3B | 57 | 21.0024 | 1529 | 1532 | cadina-1,4-diene | - | 1-octene |
| 22 | B4A | 69 | 21.5566 | 1552 | 1552 | elemicin | - | |
| 23 | B4A | 57 | 25.1819 | 1704 | 1686 | 8-cedren-13-ol | - | |
| 24 | B4B | 71 | 25.4142 | 1715 | 1735 | oplopanone | - | Hexacosane |
| 25 | B4B | 69 | 26.0498 | 1745 | 1747 | 6S-7R-bisabolone | - | 10-methyl-1-dodecanol |
| 26 | B4A | 57 | 27.4031 | 1805 | 1798 | nootkatone | - | 4-methyl-1-pentene |
| 27 | B3B | 57 | 27.9515 | 1832 | 1827 | isopropyl-tetradecanoate | - | 2,4-dimethylpentane |
| 28 | B3B | 71 | 29.9932 | 1930 | 1927 | methyl-hexadecanoate | - | docosane |
| 29 | B6B | 57 | 30.4182 | 1951 | 1927 | methyl-hexadecanoate | - | - |
| 30 | B10 | 69 | 30.5987 | 1960 | 1927 | methyl-hexadecanoate | - | - |
| 31 | B4C | 73 | 30.6949 | 1965 | 1999 | eicosane | - | - |
| 32 | B6B | 71 | 32.0267 | - | - | 3-hexanone, 2,2-dimethyl- | 2,2-dimethylbutane | |
| 33 | B3B | 71 | 32.0458 | - | - | - | 2,2-dimethylbutane | |
| 34 | B6B | 69 | 34.1452 | - | - | - | docosane | |
| 35 | B3B | 69 | 34.7128 | - | - | - | - | |
| 36 | B4C | 69 | 34.7233 | - | - | - | - | |
| 37 | B6C | 71 | 35.0713 | - | - | - | - | |
| 38 | B3C | 71 | 36.7162 | - | - | - | 3-ethylpentane | |
| 39 | B9B | 395 | 38.2697 | - | - | - | - | |
| 40 | B6C | 71 | 38.8875 | - | - | - | 3-ethylhexane | |
| 41 | B6B | 71 | 39.0147 | - | - | - | - | |
| 42 | B4C | 57 | 39.4792 | - | - | - | 3-ethylhexane | |
| 43 | B6B | 57 | 39.4822 | - | - | - | 3,3-dimethyl-1-butene | |
| 44 | B4C | 71 | 39.6266 | - | - | - | 3-ethylpentane | |
| 45 | B3C | 71 | 39.7884 | - | - | - | - | |
| 46 | B6B | 57 | 40.4997 | - | - | 3-hexanone, 2,2-dimethyl- | 2-methylbutane | |
| 47 | B6C | 57 | 40.7684 | - | - | - | 3-ethylpentane | |
| 48 | B3C | 71 | 40.7722 | - | - | - | - | |
| 49 | B4C | 57 | 43.09 | - | - | - | 3-ethylpentane | |
| 50 | B6B | 57 | 43.0982 | - | - | - | 2,2,4,6,6-pentamethylheptane | |
| 51 | B6C | 85 | 43.2865 | - | - | - | 2-methylnonane | |
| 52 | B6B | 71 | 43.3628 | - | - | - | 3-ethylpentane | |
| 53 | B3C | 71 | 43.3691 | - | - | - | - | |
| 54 | B3B | 85 | 43.7727 | - | - | - | 3,3-dimethyl-1-butene | |
| 55 | B4B | 85 | 44.3901 | - | - | - | Amitrole | |
| 56 | B6B | 71 | 44.3953 | - | - | - | 3-aminopropiononitrile | |
| 57 | B4A | 71 | 46.2638 | - | - | - | - | |
| 58 | B3C | 71 | 46.8143 | - | - | - | 2,3-dimethylbutane | |
| 59 | B6B | 71 | 46.822 | - | - | 3-hexanone, 2,2-dimethyl- | - | |
| 60 | B6C | 71 | 47.3544 | - | - | - | - | |
| 61 | B4A | 71 | 47.7467 | - | - | - | 3-ethylypentane | |
| 62 | B3A | 57 | 47.7529 | - | - | - | 3,3-dimethyl-1-butene | |
| 63 | B4A | 71 | 48.0072 | - | - | - | - | |
| 64 | B6B | 71 | 48.0159 | - | - | - | - | |
| 65 | B6C | 71 | 48.0169 | - | - | - | - | |
| 66 | B4A | 71 | 48.0321 | - | - | - | - | |
| 67 | B4B | 71 | 50.7731 | - | - | - | - | |