29022-11-5

Fmoc-甘氨酸(29022-11-5)質(zhì)譜(MS)

分子式:C17H15NO4

分子量: 297.31

InChI:InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)

InChIKey: NDKDFTQNXLHCGO-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

Mass

MS-IW-2646          
N-((9-fluorenyl)methoxycarbonyl)glycine
C17H15NO4           (Mass of molecular ion:    297)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      28.0       4.4
      29.0       6.2
      30.0       1.5
      44.0       1.8
      56.0       2.1
      57.0       3.1
      63.0       2.5
      69.5       1.3
      74.0       1.8
      75.0       1.6
      76.0       2.4
      81.5       1.2
      82.0       1.1
      82.5       1.9
      87.0       1.5
      88.0       2.3
      89.0       3.3
     101.0       3.9
     115.0       3.1
     126.0       1.2
     139.0       5.0
     150.0       1.1
     151.0       1.9
     152.0       2.8
     162.0       1.3
     163.0      11.0
     164.0      10.0
     165.0     100.0
     166.0      74.9
     167.0      10.4
     176.0       4.3
     177.0       3.4
     178.0      55.4
     179.0      10.4
     180.0       1.0
     196.0      30.8
     197.0       4.8
     297.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₇ H₁₅ N O₄	0.050 g : 0.5 ml DMSO-d₆
N-((9-fluorenyl)methoxycarbonyl)glycine

    Assign.     Shift(ppm)

      A             7.900
      B             7.734
      C             7.67
      D             7.429
      E             7.348
      F             4.325
      G             4.252
      J             3.704
     
     J(C,J)=6.2HZ

     Hz     ppm     Int.

   3161.13   7.910    914
   3153.69   7.892   1000
   3145.51   7.871     31
   3145.26   7.871     31
   3094.73   7.744    727
   3087.40   7.726    816
   3079.35   7.706     40
   3078.61   7.704     39
   3077.76   7.702     41
   3077.27   7.700     42
   3077.03   7.700     42
   3076.78   7.699     42
   3076.05   7.697     40
   3075.44   7.696     37
   3074.83   7.694     38
   3073.85   7.692     40
   3073.36   7.691     42
   3069.09   7.680    190
   3062.99   7.665    422
   3056.88   7.649    225
   2977.05   7.450    426
   2969.73   7.431    963
   2962.16   7.412    606
   2955.44   7.396     41
   2954.59   7.393     37
   2952.88   7.389     31
   2951.42   7.386     34
   2950.56   7.383     34
   2950.20   7.382     33
   2947.39   7.375    108
   2943.36   7.365    586
   2939.94   7.357    239
   2938.72   7.354    272
   2935.91   7.347    875
   2929.32   7.330    355
   2928.47   7.328    373
   1744.51   4.366     32
   1744.14   4.365     32
   1743.53   4.363     33
   1742.68   4.361     31
   1742.31   4.360     32
   1741.70   4.359     32
   1740.97   4.357     35
   1732.67   4.336    561
   1725.83   4.319    958
   1718.38   4.300     72
   1717.04   4.297     67
   1715.70   4.294     59
   1714.97   4.292     58
   1714.60   4.291     56
   1713.99   4.289     54
   1713.26   4.287     53
   1712.65   4.286     52
   1711.67   4.283     51
   1711.18   4.282     52
   1705.32   4.268    301
   1698.73   4.251    382
   1698.36   4.250    383
   1692.02   4.234    193
   1685.67   4.218     48
   1684.20   4.215     40
   1683.47   4.213     38
   1682.98   4.212     36
   1682.37   4.210     34
   1682.01   4.209     34
   1681.27   4.207     32
   1680.54   4.206     31
   1680.05   4.204     30
   1503.17   3.762     31
   1502.20   3.759     32
   1501.59   3.758     33
   1500.24   3.754     36
   1499.63   3.753     38
   1499.02   3.751     39
   1497.44   3.747     44
   1497.07   3.746     45
   1496.46   3.745     47
   1495.61   3.743     50
   1495.24   3.742     51
   1494.75   3.741     53
   1494.02   3.739     56
   1493.29   3.737     60
   1492.68   3.735     62
   1492.31   3.735     64
   1491.58   3.733     67
   1490.60   3.730     71
   1483.64   3.713    815
   1477.42   3.697    822
   1469.48   3.677     55
   1468.14   3.674     49
   1466.80   3.671     42
   1466.19   3.669     40
   1465.70   3.668     38
   1465.09   3.666     35
   1464.48   3.665     34
   1462.77   3.661     30

in DMSO-d6