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Table 4 Compounds identified by GC–MS in the cyclohexane and ethyl acetate fractions of distilled straws

From: Lavender- and lavandin-distilled straws: an untapped feedstock with great potential for the production of high-added value compounds and fungal enzymes

  Compound nature Compounds MS fragmentsa m/z (relative intensity, %) Substratesb
Cyclohexane fraction Monoterpenes β-Myrcene M+c 136 (2), 41 (100), 93 (74), 69 (68), 39 (28), 27 (19), 91 (17) DS, DF
Monoterpenols Borneol M+ 154 (tr), 95 (100), 41 (32), 27 (21), 39 (20), 110 (20), 43 (18) DS, DF
Linalool M+ 154 (tr), 41 (100), 71 (64), 43 (60), 55 (45), 93 (39), 69 (36) DS, DF, LF
cis-Geraniol (nerol) M+ 154 (2), 41 (100), 69 (66), 39 (30), 93 (26), 53 (12), 68 (12) DS, DF
α-Terpineol M+ 154 (tr), 59 (100), 43 (74), 93 (72), 121 (52), 68 (44), 136 (42) DS, DF, LF
Terpenic esters Dihydrocarvyl acetate M+ 196 (tr), 43 (100), 41 (59), 39 (39), 93 (31), 67 (28), 53 (25) DS, DF, LF
Geranyl acetate M+ 196 (tr), 69 (100), 43 (67), 41 (65), 68 (38), 93 (22), 136 (17) DS, DT, LF
Geranyl propionate M+ 210 (tr), 41 (100), 69 (99), 57 (76), 29 (70), 68 (54), 93 (42) DS, DF
Linalyl acetate M+ 196 (tr), 43 (100), 93 (82), 41 (58), 80 (33), 69 (24), 55 (23) DS, DF, LF
Neryl acetate M+ 196 (tr), 69 (100), 41 (70), 43 (58), 68 (40), 93 (36), 80 (18) DS, DF, LF
Sesquiterpenes β-Caryophyllene M+ 204 (tr), 41 (100), 79 (41), 91 (40), 39 (34), 53 (30), 77 (28) DS, DF, LS, LF
β-Farnesene M+ 204 (2), 41 (100), 69 (74), 93 (37), 39 (26), 67 (22), 79 (19) DS, DF, LS
Germacrene d M+ 204 (14), 161 (100), 91 (91), 41 (86), 105 (80), 79 (52), 81 (52) DS, DF
Sesquiterpenoids α-Bisabolol M+ 222 (tr), 43 (100), 41 (70), 69 (50), 119 (50), 109 (42), 67 (28) DS, DF
τ-Cadinol M+ 222 (tr), 161 (100), 43 (99), 119 (56), 41 (51), 105 (47), 204 (34) DS, DF, LS, LF
Ketones Camphor M+ 152 (19), 95 (100), 41 (89), 81 (70), 39 (50), 55 (50), 69 (40) DS, DF
Lactones Coumarin M+ 146 (91), 118 (100), 90 (47), 89 (39), 63 (38), 39 (18), 62 (16) DS, DF, LS, LF
Herniarin (7-methoxycoumarin) M+ 176 (85), 133 (100), 148 (69), 77 (22), 51 (22), 63 (18), 105 (17) DS, DF, LS, LF
Ethyl acetate fraction Phenolic acids and derivatives Caffeic acid isomers M+ 398 (20), 219 (100), 73 (94), 396 (92), 397 (38), 191 (22), 381 (21) DS, DF, LS, LF
Catechol lactate M+ 486 (5), 267 (100), 73 (97), 179 (28), 268 (27), 147 (24), 396 (17) DS, DF, LS, LF
o/m-Coumaric acid M+ 308 (24), 73 (100), 147 (67), 293 (31), 131 (31), 161 (27), 75 (24) DS, DF, LS, LF
p-Coumaric acid M+ 308 (22), 73 (100), 75 (39), 219 (32), 293 (30), 249 (17), 147 (10) DS, DF, LS, LF
2-Hydroxybenzoic acid M+ 282 (tr), 73 (85), 135 (35), 268 (26), 91 (14), 269 (12), 179 (8) DS, DF, LS, LF
3-(2-Hydroxyphenyl)propionic acid M+ 310 (45), 73 (100), 147 (83), 192 (73), 295 (62), 177 (47), 253 (39) DS, DF, LS, LF
3-(4-Hydroxyphenyl)lactic acid M+ 398 (tr), 73 (100), 179 (95), 147 (31), 308 (29), 180 (16), 75 (13) DS, DF, LS, LF
trans/cis Ferulic acid M+ 338 (67), 73 (100), 204 (43), 75 (42), 323 (33), 308 (30), 249 (27) DS, DF, LS, LF
Protocatechuic acid M+ 370 (46), 73 (100), 193 (89), 355 (23), 223 (18), 311 (17), 371 (15) DS, DF, LS, LF
Vanillic acid M+ 312 (61), 297 (100), 73 (81), 267 (73), 223 (59), 253 (42), 75 (29) DS, DF, LS, LF
  1. tr traces
  2. aMS fragments of compounds present in the ethyl acetate fraction were given as trimethylsilylated derivatives
  3. bDS, lavandin stem straw; DF, lavandin flower straw; LS, lavender stem straw; LF, lavender flower straw
  4. M+: molecular ion (in italic)