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. 2011 Nov 21;9(11):2438–2468. doi: 10.3390/md9112438

Table S4.

Compound peaks detected from GC-MS analysis of samples used for evaluation of temporal and spatial patterns of non-polar metabolites of three cryptic species of P. hornemanni found in the Visayas. 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 Nearest KI Lucero et al. [37] Massbase
1 3A 57 8.1118 1065 1062 y-terpinene undecane
2 15A 57 14.556 1285 1286 borneol acetate 1-nonene
3 9A 57 14.556 1285 1286 borneol acetate pentacosane
4 29A 57 20.3128 1500 1499 a-muurolene tricosane
5 15B 71 20.5458 1510 1509 β-bisabolene 3-ethylpentane
6 15A 57 25.186 1705 1686 8-cedren-13-ol -
7 34A 57 25.4206 1716 1735 oplopanone -
8 15B 71 26.6674 1772 1761 benzyl-benzoate 2-methylbutane
9 15A 57 27.8534 1827 1827 isopropyl tetradecanoate
10 44BB 71 30.0015 1930 1927 methyl hexadecanoate docosane
11 8B 57 30.4069 1950 1927 methyl hexadecanoate
12 15B 71 31.6111 - - - -
13 15A 57 31.8326 - - - -
14 15B 57 31.8342 - - - 1,4-dimethylhexane
15 44BA 71 34.1535 - - - docosane
16 15B 71 34.2967 - - - 3-ethylpentane
17 15A 57 34.76 - - - 1-octene
18 15A 71 35.4496 - - - 2-methylbutane
19 15B 57 35.5757 - - - -
20 15B 57 35.5757 - - - 2,2-dimethylbutane
21 44BA 71 37.9407 - - - docosane
22 15B 410 38.2743 - - - -
23 15A 71 39.3484 - - - 3-ethylhexane
24 15A 71 40.0877 - - - 2,2-dimethylbutane
25 15A 71 40.0981 - - - beta-Aminopropionitrile
26 15B 71 42.5358 - - - 2-methylbutane
27 15B 57 43.9626 - - - 4-methyloctane
28 44C 71 44.6454 - - - -
29 15A 57 45.2255 - - - 2,2-dimethylbutane
30 15A 71 47.3529 - - - -
31 15B 57 47.3534 - - - -
32 15B 57 47.3581 - - - 2,4-dimethylpentane
33 15A 71 47.6237 - - - 2,4-dimethylhexane