(+)-檸檬烯(5989-27-5)質(zhì)譜(MS)
InChI:InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKey: XMGQYMWWDOXHJM-JTQLQIEISA-N
Smiles:C1(C)CC[C@@H](C(C)=C)CC=1
-
Mass
MS-NW-1514
(+)-limonene
C10H16 (Mass of molecular ion: 136)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
27.0 9.3
28.0 1.0
29.0 5.6
39.0 15.6
40.0 5.8
41.0 19.3
42.0 2.9
43.0 3.5
50.0 1.3
51.0 4.6
52.0 2.4
53.0 17.1
54.0 1.6
55.0 7.1
63.0 1.6
65.0 4.9
66.0 2.9
67.0 44.7
68.0 100.0
69.0 9.1
77.0 11.7
78.0 3.0
79.0 22.8
80.0 11.1
81.0 10.9
82.0 2.4
91.0 12.7
92.0 18.8
93.0 59.1
94.0 22.6
95.0 7.6
105.0 4.4
106.0 1.4
107.0 17.1
108.0 4.9
119.0 1.4
121.0 19.5
122.0 1.9
136.0 22.6
137.0 2.7
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C10 H16
|
0.05 ml : 0.5 ml CDCl3
|
| (+)-limonene
|
 |
Assign. Shift(ppm)
A 5.397
B 4.702
C 2.08
D *1 2.05
E 1.97
F *1 1.89
G 1.789
J 1.727
K 1.648
L 1.472
ASSIGNED BY C-H COSY
|
Hz ppm Int.
2159.18 5.403 120
2157.84 5.400 128
2156.62 5.397 125
2154.30 5.391 119
1879.88 4.704 534
1878.91 4.702 614
850.95 2.130 36
848.27 2.123 36
839.11 2.100 132
832.28 2.083 106
829.47 2.076 97
827.03 2.070 69
824.46 2.063 98
822.27 2.058 83
820.19 2.053 118
819.09 2.050 122
817.63 2.046 108
816.16 2.043 97
814.45 2.038 89
811.04 2.030 57
809.94 2.027 55
808.96 2.025 53
805.30 2.016 50
804.32 2.013 51
803.22 2.010 49
802.25 2.008 45
801.51 2.006 44
800.54 2.004 42
799.68 2.001 39
798.71 1.999 33
789.06 1.975 81
786.99 1.970 83
784.42 1.963 81
782.96 1.960 82
778.69 1.949 32
774.29 1.938 64
772.46 1.933 85
771.00 1.930 79
768.68 1.924 68
766.24 1.918 73
764.16 1.913 68
763.06 1.910 61
760.74 1.904 63
758.42 1.898 70
756.10 1.892 57
753.91 1.887 37
752.20 1.883 37
728.39 1.823 32
726.07 1.817 64
723.63 1.811 67
720.58 1.804 67
718.38 1.798 64
715.82 1.792 64
713.38 1.786 83
711.43 1.781 78
710.57 1.778 76
708.13 1.772 82
705.69 1.766 71
703.25 1.760 35
691.41 1.731 779
690.31 1.728 1000
689.09 1.725 737
658.45 1.648 600
608.03 1.522 50
602.42 1.508 47
596.80 1.494 82
595.34 1.490 67
590.70 1.479 77
589.72 1.476 64
585.08 1.464 61
584.11 1.462 74
579.35 1.450 62
578.25 1.447 69
572.39 1.433 32
566.65 1.418 37
-
| 1H NMR |
89.56 MHz |
| C10 H16
|
0.04 ml : 0.5 ml CDCl3
|
| (+)-limonene
|
|
Assign. Shift(ppm)
A 5.40
B 4.70
C 2.37 to 1.19
D 1.729
E 1.65
|
Hz ppm Int.
483.44 5.398 72
422.94 4.723 100
421.94 4.712 338
421.38 4.706 329
420.81 4.699 394
420.19 4.692 388
419.13 4.680 153
179.25 2.002 219
161.13 1.800 63
160.13 1.788 32
158.50 1.770 86
155.94 1.742 538
154.94 1.731 1000
153.88 1.719 595
151.88 1.696 125
148.69 1.661 410