5-羥基-L-色氨酸(4350-09-8)紅外圖譜(IR2)

產(chǎn)品名稱:5-羥基-L-色氨酸

CAS:4350-09-8

分子式:C11H12N2O3

分子量: 220.22

InChI:InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1

InChIKey: LDCYZAJDBXYCGN-VIFPVBQESA-N

Smiles:C(O)(=O)[C@H](CC1C2=C(C=CC(O)=C2)NC=1)N

Mass

MS-NW-2497          
5-hydroxy-L-tryptophan
C11H12N2O3          (Mass of molecular ion:    220)

   Source Temperature: 220 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.9
      27.0       1.9
      28.0       4.9
      39.0       1.4
      44.0       3.4
      51.0       1.2
      63.0       1.4
      65.0       2.4
      77.0       1.0
      89.0       1.9
      90.0       1.6
      91.0       4.3
     117.0       4.3
     118.0       2.7
     128.0       1.1
     130.0       1.2
     133.0       2.0
     145.0       5.1
     146.0     100.0
     147.0      11.5
     148.0       1.6
     159.0       1.0
     172.0       1.6
     173.0       1.3
     174.0       4.1
     175.0       2.3
     220.0       3.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₂ N₂ O₃	0.040 g : 0.5 ml DMSO-d₆
5-hydroxy-L-tryptophan

    Assign.     Shift(ppm)

      A     *1     10.72
      B     *1      9.
      C             7.153
      D             7.14
      E             6.981
      F             6.614
      G             3.541
      J             3.265
      K             2.948

     Hz     ppm     Int.

   4284.26  10.721    359
   4282.61  10.716    371
   2859.05   7.154   1000
   2850.62   7.133    629
   2799.15   7.005     31
   2791.09   6.984    507
   2789.08   6.979    531
   2648.59   6.628    341
   2646.39   6.622    331
   2640.16   6.607    314
   2637.78   6.601    330
   1421.74   3.558    196
   1417.71   3.548    213
   1412.95   3.536    219
   1408.92   3.526    212
   1314.59   3.290    141
   1311.29   3.282    157
   1299.57   3.252    184
   1297.00   3.246    156
   1296.64   3.245    156
   1189.85   2.978    138
   1180.87   2.955    150
   1177.58   2.947     93
   1174.65   2.940    140
   1165.85   2.918    111

KBr disc