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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)