L-色氨酸(73-22-3)Raman光譜
分子式:C11H12N2O2
分子量: 204.23
InChI:InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N
Smiles:C(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)N
-
Mass
MS2003-02093WA
L-tryptophan
C11H12N2O2 (Mass of molecular ion: 204)
Source Temperature: 250 °C
Sample Temperature: 80 °C
Direct, 70 eV
28.0 1.4
51.0 1.0
77.0 5.4
79.0 1.1
79.5 1.2
102.0 2.6
103.0 5.2
115.0 1.2
117.0 2.2
128.0 1.7
129.0 3.1
130.0 100.0
131.0 10.5
132.0 1.8
158.0 2.0
159.0 2.1
204.0 5.6
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C11 H12 N2 O2
|
0.049 g : 0.5 ml DMSO-d6
|
| L-tryptophan
|
 |
Assign. Shift(ppm)
A *1 10.96
B 7.57
C 7.36
D 7.26
E 7.01
F 6.97
G *1 6.71
J 3.55
K *2 3.28
L *2 3.06
400MHZ : HSP-42-518
|
Hz ppm Int.
981.64 10.961 356
683.00 7.627 350
682.31 7.619 328
681.97 7.615 329
680.09 7.594 294
676.59 7.555 472
674.45 7.531 447
663.94 7.414 328
663.34 7.407 340
661.55 7.387 442
657.62 7.343 428
655.57 7.320 634
654.80 7.312 686
654.11 7.304 625
650.78 7.267 864
637.79 7.122 313
632.58 7.064 665
630.79 7.044 593
629.08 7.025 703
626.17 6.992 1000
623.18 6.959 579
621.73 6.943 619
620.02 6.923 586
618.65 6.908 278
614.81 6.865 362
613.18 6.847 345
601.31 6.715 570
318.64 3.558 330
314.28 3.510 365
294.97 3.294 389
290.78 3.247 315
282.32 3.153 385
-
| 1H NMR |
399.65 MHz |
| C11 H12 N2 O2
|
saturated in DMSO-d6
|
| L-tryptophan
|
|
Assign. Shift(ppm)
A *1 11.11
B *1 8.
C 7.580
D 7.361
E 7.263
F 7.054
G 6.965
J *1 3.6
K 3.533
L *2 3.326
M *2 3.036
J(L,M)=-15.1HZ
J(M,K)=4.2HZ
J(L,K)=8.6HZ
90MHZ : HSP-05-898
|
Hz ppm Int.
4440.76 11.112 687
3033.60 7.591 735
3025.82 7.572 791
2946.17 7.372 874
2938.08 7.352 1000
2903.90 7.267 979
2901.76 7.261 967
2827.61 7.076 376
2826.69 7.073 380
2819.67 7.056 750
2812.50 7.038 498
2811.58 7.036 470
2790.53 6.983 530
2789.92 6.981 524
2782.75 6.963 803
2775.73 6.946 378
2774.96 6.944 352
1418.61 3.550 357
1414.49 3.540 423
1410.22 3.529 440
1405.79 3.518 427
1339.72 3.353 301
1335.75 3.343 303
1324.77 3.315 390
1320.50 3.305 333
1224.52 3.064 341
1215.97 3.043 344
1209.41 3.027 306
1200.87 3.005 265