2584-71-6

順式-4-羥基-D-脯氨酸(2584-71-6)質(zhì)譜(MS)

產(chǎn)品名稱:順式-4-羥基-D-脯氨酸

CAS:2584-71-6

分子式:C5H9NO3

分子量: 131.13

InChI:InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1

InChIKey: PMMYEEVYMWASQN-QWWZWVQMSA-N

Smiles:C(O)(=O)[C@H]1C[C@@H](O)CN1

Mass

MS-NW-6907          
cis-4-hydroxy-D-proline
C5H9NO3             (Mass of molecular ion:    131)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       3.2
      17.0       1.0
      18.0       3.8
      26.0       2.0
      27.0       7.6
      28.0      18.4
      29.0       6.3
      30.0      21.7
      31.0       4.1
      38.0       1.7
      39.0       6.4
      40.0       3.4
      41.0      44.4
      42.0      13.0
      43.0      16.4
      44.0       3.0
      45.0       4.5
      54.0       1.7
      55.0       5.8
      56.0      11.3
      57.0       5.0
      58.0      11.0
      59.0       2.0
      66.0       1.0
      67.0       4.1
      68.0      40.4
      69.0      26.3
      70.0       2.2
      73.0       3.6
      84.0       2.2
      86.0     100.0
      87.0      17.7
      88.0       1.2
     131.0       1.0

400 MHz in D2O

¹H NMR	399.65 MHz
C₅ H₉ N O₃	0.038 g : 0.5 ml D₂O
cis-4-hydroxy-D-proline

    Assign.     Shift(ppm)

      A             4.590
      B             4.225
      C             3.468
      D             3.383
      E             2.510
      F             2.265
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1840.82   4.607    234
   1838.87   4.602    390
   1836.91   4.597    536
   1834.72   4.591    683
   1832.40   4.586    556
   1830.44   4.581    417
   1828.49   4.576    254
   1695.80   4.244    672
   1691.89   4.234    716
   1685.42   4.218    718
   1681.64   4.208    707
   1397.09   3.496    264
   1396.61   3.495    278
   1395.14   3.491    495
   1393.55   3.487    304
   1384.16   3.464    527
   1382.69   3.460    927
   1380.98   3.456    569
   1358.52   3.400   1000
   1354.49   3.390    990
   1346.07   3.369    538
   1342.16   3.359    537
   1018.80   2.550    323
   1014.28   2.538    329
   1008.18   2.523    320
   1004.27   2.513    540
   1000.00   2.503    436
    994.14   2.488    418
    989.62   2.477    412
    915.41   2.291    289
    913.45   2.286    528
    911.62   2.282    533
    909.67   2.277    533
    907.71   2.272    299
    901.25   2.256    229
    899.29   2.251    407
    897.34   2.246    410
    895.51   2.241    414
    893.55   2.236    227

KBr disc