59-30-3

叶酸(59-30-3)质谱(MS)

产品名称:叶酸

分子式:C19H19N7O6

分子量: 441.4

InChI:InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N

Smiles:C(O)(=O)[C@H](CCC(O)=O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)NC(N)=N3)C=C1

Mass

MS-NW-0304          
folic acid
C19H19N7O6          (Mass of molecular ion:    441)

   Source Temperature: 220 °C
   Sample Temperature: 300 °C
   Direct, 75 eV

      12.0       1.3
      14.0       1.3
      15.0       3.0
      16.0       5.4
      17.0      11.1
      18.0      46.3
      20.0       8.6
      26.0       9.5
      27.0      23.4
      28.0      54.6
      29.0      11.8
      30.0       3.8
      31.0       9.4
      32.0       6.2
      33.0       1.4
      34.0       2.9
      35.0       2.1
      36.0      18.3
      37.0       4.5
      38.0       7.9
      39.0      26.9
      40.0       9.9
      41.0      47.1
      42.0      18.9
      43.0      27.0
      44.0     100.0
      44.5       1.1
      45.0       5.7
      45.5       1.7
      46.0       2.1
      46.5       3.2
      47.0       1.4
      49.0       1.2
      50.0       5.5
      51.0       9.0
      52.0       9.6
      53.0      10.7
      54.0      15.7
      55.0      25.5
      56.0      18.1
      57.0      19.9
      58.0       1.9
      59.0       2.7
      60.0       8.3
      61.0       4.8
      62.0       5.3
      63.0      10.5
      64.0       8.4
      65.0      26.4
      66.0      26.6
      67.0      11.9
      68.0       7.6
      69.0      13.6
      70.0       9.5
      71.0      10.6
      72.0       2.8
      73.0       7.4
      74.0       3.7
      75.0       3.0
      76.0       4.4
      77.0       8.0
      78.0       6.0
      79.0       6.4
      80.0       8.7
      81.0       8.9
      82.0       8.0
      83.0      14.3
      83.5       1.0
      84.0      99.5
      85.0       8.1
      86.0       2.4
      87.0       2.5
      88.0       2.9
      89.0       3.2
      90.0       4.9
      91.0      15.7
      92.0      25.5
      93.0      68.5
      94.0       8.4
      95.0       8.5
      96.0       5.3
      97.0       8.3
      98.0       9.1
      99.0       3.4
     100.0       3.3
     101.0       3.6
     102.0       2.5
     103.0       3.7
     104.0       3.1
     105.0       6.2
     106.0       6.4
     107.0      12.1
     108.0       7.0
     109.0       6.4
     110.0       3.8
     111.0       4.9
     112.0       3.5
     113.0       2.9
     114.0       2.6
     115.0       3.6
     116.0       2.5
     117.0       4.4
     118.0      12.5
     119.0      12.4
     120.0      37.6
     121.0       6.6
     122.0       5.9
     123.0       3.9
     124.0       2.5
     125.0       3.1
     126.0       3.8
     127.0      12.6
     128.0      26.0
     129.0       5.7
     130.0       3.5
     131.0       3.3
     132.0       2.9
     133.0       4.2
     134.0       5.3
     135.0       5.1
     136.0       7.5
     137.0      30.6
     138.0       3.8
     139.0       3.1
     140.0       1.7
     141.0       2.9
     142.0       1.9
     143.0       2.3
     144.0       2.7
     145.0       2.7
     146.0       3.0
     147.0       2.8
     148.0       2.1
     149.0       3.7
     150.0       8.7
     151.0       3.9
     152.0       3.1
     153.0       2.0
     154.0       2.0
     155.0       1.4
     156.0       1.3
     157.0       1.8
     158.0       2.8
     159.0       3.8
     160.0       1.8
     161.0       2.6
     162.0       2.4
     163.0       3.5
     164.0       1.9
     165.0       2.8
     166.0       2.3
     167.0       5.0
     168.0       4.3
     169.0       5.7
     170.0       1.7
     171.0       1.8
     172.0       1.6
     173.0       1.3
     174.0       1.7
     175.0       2.7
     176.0       3.4
     177.0      44.4
     178.0      12.3
     179.0       3.7
     180.0       2.9
     181.0       1.9
     182.0       2.3
     183.0       1.7
     184.0       2.4
     185.0       2.1
     186.0       2.9
     187.0       1.7
     188.0       1.4
     189.0       2.2
     190.0       2.3
     191.0       2.4
     192.0       2.6
     193.0       2.1
     194.0       3.6
     195.0       2.5
     196.0       1.9
     197.0       1.7
     198.0       1.7
     199.0       1.5
     200.0       2.6
     201.0       2.2
     202.0       8.1
     203.0       5.0
     204.0       3.8
     205.0       2.3
     206.0       2.9
     207.0       3.0
     208.0       2.2
     209.0       1.7
     210.0       1.8
     211.0       3.0
     212.0       2.0
     213.0       1.8
     214.0       1.2
     215.0       1.8
     216.0       1.8
     217.0       2.1
     218.0       2.1
     219.0       1.8
     220.0       1.8
     221.0       2.1
     222.0       1.6
     223.0       1.5
     224.0       1.5
     225.0       1.4
     226.0       1.1
     228.0       1.7
     229.0       1.4
     230.0       1.1
     231.0       1.4
     232.0       1.1
     233.0       1.0
     234.0       1.4
     235.0       1.1
     236.0       1.7
     237.0       1.0
     238.0       1.4
     239.0       1.1
     240.0       1.1
     241.0       1.3
     242.0       1.2
     243.0       1.3
     245.0       6.6
     246.0       1.7
     247.0       1.1
     248.0       1.3
     250.0       1.1
     251.0       1.0
     252.0       1.0
     253.0       1.3
     256.0       1.5
     262.0       1.4
     263.0       9.7
     264.0       1.4
     266.0       1.1
     267.0       1.0
     278.0       1.7
     279.0       1.1
     281.0       1.1
     294.0       1.0
     295.0       1.2
     354.0       1.2
     355.0       1.1
     364.0       1.5
     368.0       1.0
     389.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₁₉ N₇ O₆	0.039 g : 0.5 ml DMSO-d₆
folic acid

    Assign.     Shift(ppm)

      A             8.675
      B             8.17
      C             7.678
      D             6.98
      E             6.668
      F             4.514
      G             4.359
      J             2.344
      K     *1      2.077
      L     *1      1.939

     Hz     ppm     Int.

   3467.02   8.676   1000
   3271.50   8.186    313
   3263.81   8.167    315
   3073.20   7.690    717
   3064.44   7.668    761
   2787.51   6.975    333
   2669.56   6.680    726
   2660.79   6.658    722
   1806.91   4.522    519
   1801.36   4.508    514
   1749.00   4.377    138
   1746.01   4.369    164
   1744.52   4.366    184
   1741.53   4.358    174
   1739.82   4.354    168
   1739.39   4.353    168
   1736.82   4.346    147
    944.91   2.365    301
    937.65   2.347    655
    930.17   2.328    374
    832.73   2.084    139
    825.03   2.065    165
    773.96   1.937    143

in DMSO-d6