L-赖氨酸(56-87-1)质谱(MS)
分子式:C6H14N2O2
分子量: 146.19
InChI:InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKey: KDXKERNSBIXSRK-YFKPBYRVSA-N
Smiles:C(O)(=O)[C@H](CCCCN)N
-
Mass
MS-IW-7274
L-lysine
C6H14N2O2 (Mass of molecular ion: 146)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Direct, 75 eV
15.0 2.6
16.0 6.3
17.0 17.5
18.0 70.6
26.0 7.8
27.0 24.4
28.0 52.0
29.0 11.7
30.0 95.4
31.0 2.7
37.0 1.2
38.0 2.4
39.0 13.0
40.0 6.2
41.0 29.4
42.0 20.0
43.0 42.8
44.0 38.2
45.0 4.4
46.0 1.4
50.0 3.8
51.0 5.9
52.0 14.3
53.0 8.9
54.0 18.3
55.0 33.6
56.0 100.0
57.0 20.4
58.0 6.1
59.0 6.0
65.0 3.4
66.0 5.7
67.0 11.4
68.0 7.1
69.0 6.5
70.0 19.4
71.0 15.3
72.0 66.6
73.0 6.6
74.0 13.1
75.0 3.7
77.0 2.1
78.0 3.7
79.0 13.8
80.0 8.1
81.0 7.8
82.0 35.7
83.0 83.6
84.0 74.6
85.0 6.7
86.0 1.5
87.0 1.9
88.0 1.9
89.0 1.8
92.0 2.0
93.0 6.9
94.0 1.6
95.0 1.7
96.0 1.1
97.0 1.8
98.0 3.0
99.0 16.4
100.0 9.3
101.0 3.8
104.0 3.2
107.0 1.7
108.0 2.8
109.0 2.4
110.0 11.4
111.0 18.9
112.0 3.4
117.0 2.5
126.0 1.5
127.0 2.8
128.0 8.8
129.0 10.8
130.0 4.7
147.0 1.7
90 MHz in D2O
400 MHz in D2O
-
| 1H NMR |
89.56 MHz |
| C6 H14 N2 O2
|
0.041 g : 0.5 ml D2O
|
| L-lysine
|
 |
Assign. Shift(ppm)
B 3.756
C 3.029
D 1.95 to 1.43
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
342.94 3.830 384
337.25 3.766 907
331.19 3.698 554
279.25 3.119 559
272.56 3.044 1000
265.00 2.959 901
167.38 1.869 691
164.69 1.839 535
163.94 1.831 542
161.63 1.805 666
157.81 1.763 544
157.44 1.758 547
157.13 1.755 545
155.13 1.733 522
149.19 1.666 547
148.75 1.661 546
148.19 1.655 539
144.38 1.613 628
143.00 1.597 547
142.50 1.592 540
141.75 1.583 540
-
| 1H NMR |
399.65 MHz |
| C6 H14 N2 O2
|
0.044 g : 0.5 ml D2O
|
| L-lysine
|
|
Assign. Shift(ppm)
B 3.444
C 2.985
D 1.73
E 1.68
F 1.43
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
1382.93 3.461 355
1376.59 3.445 673
1370.48 3.430 374
1200.56 3.005 793
1196.29 2.994 229
1193.12 2.986 1000
1185.42 2.967 827
699.58 1.751 360
697.39 1.746 234
693.60 1.736 274
691.41 1.731 338
689.58 1.726 473
685.18 1.715 290
683.35 1.710 577
681.03 1.705 451
678.59 1.698 223
676.76 1.694 296
673.46 1.686 633
665.89 1.667 505
658.45 1.648 251
580.44 1.453 240
573.49 1.435 340
568.24 1.422 225
565.67 1.416 314
564.70 1.413 300
556.64 1.393 200
in D2O (PH 10.70)
in D2O (PH 1.68)
in D2O (PH 7.22)