Standard R.T. (min) High Resolution Mass Spectral Data a
Peak or Mass to Change Ratios Parent Ion Theoretical ppm
Compounds No. Unknown GC/MS GC/HRMS (Relative Intensities) (Rel. Irt.) m/z deviation Formula
Beta-pinene 3 41 69 77 79 91 93 94 121 136
std 20.77 18.35 (12) (22) (20) (20) (28) (100) (13) (14) (12) 136.1252006 -10.8 ClOH16
unk 20.73 18.33 (47) (45) (22) (22) (28) (100) (13) (10) (9) 121.1017255 10.7 C9Hl3
Beta-myrcene 4 41 67 69 77 79 91 92 93 136
std 21.34 19.07 (33) (10) (58) (14) (16) (25) (12) (100) (5) 136.1252006 1.1 ClOH16
unk 21.32 18.97 (86) (13) (90) (14) (15) (20) (11) (100) (4) 93.04259327 27.8 C2H7NO3
linalool 10 39 41 43 55 67 71 93 121 154
std 27.26 25.25 (39) (75) (100) (57) (29) (65) (93) (43) (1) 136.1252006 -0.7 ClOH16
unk 27.21 25.25 (20) (60) (58) (56) (19) (100) (58) (11) (ND)b 121.1017255 2.4 C9Hl3
Beta-phenethyl
alcohol 12 51 65 77 78 91 92 93 122 122
std 29.10 27.25 (10) (23) (9) (7) (100) (84) (9) (59) (59) 122.0731650 -1.7 C8H10O
unk 29.07 27.40 (8) (19) (5) (4) (100) (58) (4) (26) (26) 122.0731650 -0.2 C8H10O
benzyl acetate 13 77 79 89 90 91 107 108 150 150
std 29.93 27.97 (14) (23) (15) (33) (51) (18) (100) (40) (40) 150.0680797 -24.6 C9H10O2
unk 29.91 28.10 (ND) (28) (19) (44) (60) (18) (100) (25) (25) 150.0680797 29.7 C9H10O2
ethanol 1 40 41 42 43 44 45 46 47 46
std 2.57 c (2) (4) (10) (24) (5) (100) (45) (2) (45) 46.0418469
unk 2.17 2.97 (<1) (1) (3) (4) (ND) (100) (45) (2) (45) 46.0418649 2.1 C2H6O limonene 67 68 79 93 94 107 121 136 136 std 23.05 (78) (84) (49) (100) (42) (36) (41) (45) (45) unk 20.77 (63) (100) (37) (92) (39) (35) (42) (50) (50) 121.1017255 5.6 C9Hl3 estragole (or 91 105 115 117 121 133 147 148 148 4-allylanisole std. 30.85 (22) (22) (21) (34) (32) (22) (63) (100) (100) unk 28.75 (23) (5) (2) (8) (18) (3) (8) (24) (24) 148.0888151 7.2 ClOH12O Beta-citronellol 17 67 69 81 82 95 109 123 138 156 std 32.33 30.62 (75) (100) (97) (80) (92) (42) (56) (37) (22) 138.1408507 8.6 ClOH18 unk 32.30 30.55 (46) (100) (42) (43) (26) (12) (12) (7) (5) 82.0275420d no match Alpha-pinene 2 77 79 91 92 93 105 121 136 136 std 18.62 16.18 (27) (22) (46) (38) (100) (13) (14) (13) (13) 121.1017255 1.4 C9H13 unk 18.59 (26) (18) (40) (35) (100) (8) (9) (10) (10) benzaldehyde 5 50 51 74 77 78 105 106 107 106 std 22.00 19.90 (3) (7) (5) (53) (10) (100) (98) (8) (98) 106.0418649 21.1 C7H6O unk 21.99 (26) (48) (8) (100) (14) (90) (97) (8) (97) phenylacetaldehyde 8 39 51 63 65 89 91 92 120 120 std 25.75 23.50 (4) (3) (4) (14) (4) (100) (23) (24) (24) 120.0575150 0.0 C8H8O unk 25.78 (10) (6) (8) (19) (4) (100) (21) (20) (20) 3,7-dimethyl-1,3,7- octatriene 6 39 41 77 79 00 91 92 93 136 unk 23.81 21.65 (28) (37) (37) (48) (42) (50) (24) (100) (8) 121.1017255 14.8 C9H13 noxylethane 9 41 43 55 59 67 69 70 83 158 unk 26.17 24.27 (12) (17) (16) (100) (9) (7) (7) (7) (ND) 108.0575150 13.7 C7H8O neryl acetate 51 68 69 70 84 93 121 123 196 unk 31.53 (6) (18) (100) (7) (6) (25) (6) (12) 136.1252006 3.8 C10H16 Alpha-copaene 18 41 91 93 105 119 161 189 204 204 unk 36.64 34.73 (52) (47) (55) (62) (85) (100) (98) (45) (45) 204.1878010 4.5 C15H24 y-methyl Ionone 19 41 43 79 91 107 123 135 150 206 unk 41.06 39.50 (20) (53) (12) (30) (67) (18) (100) (63) (9) 150.1044652 12.9 C10H14O y-terpinene 7 43 77 79 91 92 93 121 136 136 unk 24.21 (25) (37) (21) (53) (23) (100) (24) (34) (34) alloocimene 11 41 43 56 79 91 105 121 136 136 unk 27.90 (48) (38) (36) (39) (28) (44) (100) (46) (46) unknown 15 77 91 115 117 121 133 147 148 unk 30.76 (27) (20) (22) (31) (39) (19) (60) (100) ClOH12O 16 39 43 55 65 91 119 120 134 148 unk 31.31 (13) (12) (11) (23) (75) (100) (12) (76) (2) benzolc acid 14 50 51 77 78 105 106 122 150 122 unk 30.04 28.10 (6) (19) (44) (4) (100) (8) (27) (16) (27) a High resolution data is provided when avalable. b ND="not" detected. C Retention time was not available from one instrument due to unclear spectrum or not being detected. d Actual m/z measured since no match within ±30 ppm was found.
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