Table 1.
Percentage of compounds identified in chemical profiles for B. frauenfeldi. RT = retention time, KI = Kovats index, ND = not detected.
| Compound | Females | Males | RT | KI | Diagnostic Ions m/z (%) | ||
|---|---|---|---|---|---|---|---|
| Headspace (%) | Rectal Gland (%) | Headspace (%) | Rectal Gland (%) | ||||
| N-(2-Methyl-butyl)acetamide (1) | ND | <1 | ND | ND | 9.7 | 1133 | 129 (M+, 5.2), 100 (62.2), 73 (β-cleavage/H rearrangement, 76.4), 72 (M – C4H9, 100), 60 (CH3C(OH)NH+, 54.8) |
| N-(3-Methylbutyl)acetamide (2) | <1 | <1 | ND | ND | 9.8 | 1137 | 129 (M+, 6.6), 114 (18.2), 86 (28.4), 73 (β-cleavage/H rearrangement, 100), 72 (M – C4H9, 74.4), 60 (CH3C(OH)NH+, 32.6) |
| (E,E)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane (3) | 53.9 | 20.1 | 24.6 | 16.6 | 9.9 | 1147 | 184 (M+, 9.7), 169 (2.1), 140 (17.8), 125 (9.7), 115 (CH3(C5H7O)=OH+, 98.1), 112 (CH3(C5H7O)=CH2, 100), 97 (75.4), 69 (33.3), 55 (31.2) |
| (E,E)-2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane (4) | 5.7 | <1 | 75.4 | 70.3 | 11.3 | 1237 | 198 (M+, 10.7), 169 (14.1), 140 (17.5), 129 (CH3CH2(C5H7O)=OH+, 52), 126 (CH3CH2(C5H7O)=CH2, 40.1), 115 CH3(C5H7O)=OH+, 94.2), 112 (CH3(C5H7O)=CH2, 100), 97 (66.5), 69 (43.5), 55 (49.1) |
| Ethyl caprate (5) | ND | <1 | ND | ND | 13.5 | 1396 | 200 (M+, 1.7), 171 (4.2), 157 (19.5), 155 (M – OC2H5, 15.9), 115 (9.7), 101 (44.7), 88 (100), 73 (COOC2H5, 23.6), 70 (27.6) |
| Methyl laurate (6) | 2.1 | <1 | ND | ND | 15.1 | 1524 | 214 (M+, 3.7), 183 (M – OCH3, 7.8), 171 (14.6), 143 (18.2), 87 (60), 74 (100), 59 (COOCH3, 8.4), 55 (22.8) |
| Ethyl laurate (7) | 30.3 | 18.9 | ND | ND | 15.9 | 1595 | 228 (M+, 4.3), 199 (4.7), 183 (M – OC2H5, 11.6), 157 (18.2), 101 (52.9), 88 (100), 73 (COOC2H5, 20.9), 70 (25.8), 61 (13.6), 55 (21.3) |
| Ethyl tridecanaote (8) | ND | <1 | ND | ND | 16.8 | 1667 | 242 (M+, 4.5), 213 (11.9), 199 (15.6), 197 (M – OC2H5, 2.3), 157 (31.7), 101 (60.9), 88 (100), 73 (COOC2H5, 5.8), 57 (25.9), 55 (24.4) |
| Propyl laurate (9) | ND | <1 | ND | ND | 17.1 | 1691 | 242 (M+, 1.6), 201 (40.4), 199 (1.1), 183 (M – OC3H7, 36.5), 115 (26.7), 102 (29.7), 87 (COOC3H7, 11.2), 61 (100), 60 (34), 55 (30.4) |
| Methyl myristate (10) | <1 | 1.4 | ND | ND | 17.4 | 1727 | 242 (M+, 6.6), 211 (M – OCH3, 6.3), 199 (16.2), 143 (25.6), 87 (64.4), 74 (100), 59 (COOCH3, 7.8), 55 (23.4) |
| Myristic acid (11) | ND | <1 | ND | ND | 17.8 | 1759 | 228 (M+, 19.8), 185 (44.6), 171 (26.6), 143 (25.2), 129 (67.6), 115 (24.5), 97 (22.1), 87 (33.1), 85 (21.2), 83 (25.7), 73 (100), 69 (39.3), 60 (CH3COOH, 90.6), 57 (68), 55 (64) |
| Ethyl myristoleate (12) | 2.6 | 1.9 | ND | ND | 18.1 | 1785 | 254 (M+, 4.1), 209 (M – OC2H5, 13.9), 208 (M – C2H5OH, 14.9), 166 (28.8), 124 (23.7), 88 (46.3), 73 (COOC2H5, 16.6), 69 (52.1), 55 (100) |
| Ethyl myristate (13) | 1.9 | 14.6 | ND | ND | 18.2 | 1795 | 256 (M+, 7.1), 213 (13.8), 211 (M – OC2H5, 8.16), 157 (21.9), 101 (53.8), 88 (100), 73 (COOC2H5, 17.8), 70 (22.1), 55 (20.1) |
| Methyl palmitoleate (14) | ND | 2.5 | ND | ND | 19.3 | 1909 | 268 (M+, 5.1), 237 (M – OCH3, 14.2), 236 (M – CH3OH, 18.5), 194 (17.9), 152 (24.1), 96 (51.3), 74 (52.3), 59 (COOCH3, 17.1), 55 (100) |
| Methyl palmitate (15) | ND | <1 | ND | ND | 19.5 | 1928 | 270 (M+, 12.5), 227 (14.8), 143 (23.6), 87 (68.2), 74 (100), 69 (12.5), 59 (COOCH3, 7.2), 55 (24.8) |
| Palmitoleic acid (16) | ND | 5.5 | ND | 4.4 | 19.7 | 1825 | 254 (M+, 2.2), 236 (13.6), 152 (9.2), 111 (23.8), 98 (33.8), 97 (50.3), 96 (35.2), 83 (56.4), 73 (15.3), 69 (73.7), 60 (CH3COOH, 10), 57 (24.8), 55 (100) |
| Palmitic acid (17) | ND | 3.1 | ND | 3.9 | 19.9 | 1962 | 256 (M+, 38.1), 227 (9.9), 213 (M – COOH, 31.3), 185 (26.9), 157 (31.4), 129 (61.8), 115 (26.5), 97 (33.2), 87 (36.7), 85 (37), 83 (39), 73 (100), 69 (45.9), 60 (CH3COOH, 84.8), 57 (88.9), 55 (75.4) |
| Ethyl palmitoleate (18) | 2.5 | 16.1 | ND | ND | 20.0 | 1977 | 282 (M+, 2.9), 237 (M – OC2H5, 19.1), 236 (M – C2H5OH, 21.3), 194 (23.2), 152 (28.6), 88 (57.3), 73 (COOC2H5, 16.8), 69 (68.7), 55 (100) |
| Ethyl palmitate (19) | ND | 5.3 | ND | ND | 20.2 | 1995 | 284 (M+, 11.2), 255 (4.1), 241 (13.2), 239 (M – OC2H5, 7.5), 157 (21.3), 101 (57.5), 88 (100), 73 (COOC2H5, 16.1) |
| Methyl elaidate (20) | ND | <1 | ND | ND | 21.2 | 2102 | 296 (M+, 5.3), 265 (M – OCH3, 17.8), 264 (26.7), 222 (16.9), 152 (13.6), 97 (62.2), 74 (47.5), 69 (66.2), 55 (100) |
| Ethyl oleate (21) | ND | 6.4 | ND | 4.8 | 21.6 | 2144 | 310 (M+, 1.2), 265 (M – OC2H5, 8.8), 264 (M – C2H5OH, 16.9), 222 (5.4), 123 (13.6), 110 (22.8), 97 (59.7), 88 (54.1), 83 (62.9), 73 (COOC2H5, 15.1), 69 (72.1), 55 (100) |
| Ethyl elaidate (22) | ND | 1.9 | ND | ND | 21.8 | 2172 | 310 (M+, 7.9), 265 (M – OC2H5, 24.5), 264 (M – C2H5OH, 31.7), 222 (22.1), 180 (20.4), 110 (31.4), 97 (65.5), 88 (57.9), 83 (63.4), 73 (COOC2H5, 15.2), 69 (68.4), 55 (100) |