54-62-6

Aminopterin(54-62-6) IR1

Molecular FormulaC19H20N8O5

Molecular Weight440.41

InChIInChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1

InChIKey TVZGACDUOSZQKY-LBPRGKRZSA-N

SmilesC(O)(=O)[C@H](CCC(O)=O)NC(=O)C1=CC=C(NCC2C=NC3C(N=2)=C(N)N=C(N)N=3)C=C1

Request For Quotation

¹HNMR

IR1

IR2

Aminopterin(54-62-6) IR1
Mass

MS2003-01554WA      
N-(4-((2,4-diamino-6-pteridinylmethyl)amino)benzoyl)-L-glutamic acid
C19H20N8O5 2H2O     (Mass of molecular ion:    440)

   Source Temperature: 250 °C
   Sample Temperature: 305 °C
   Direct, 70 eV

      17.0       2.5
      18.0       8.1
      26.0       1.7
      27.0       3.9
      28.0      17.1
      29.0       1.6
      30.0       1.4
      38.0       1.8
      39.0       6.1
      40.0       1.5
      41.0      17.7
      42.0       2.2
      43.0       3.5
      44.0      15.0
      45.0       3.5
      51.0       1.1
      52.0       2.4
      53.0       1.5
      54.0       3.1
      54.5       1.1
      55.0       2.6
      56.0      11.6
      62.0       1.1
      63.0       2.5
      64.0       1.7
      65.0       9.3
      66.0       5.0
      67.0       1.0
      68.0       1.6
      73.0       1.4
      80.0       1.2
      84.0     100.0
      85.0       5.1
      91.0       1.4
      92.0      11.4
      93.0       8.4
     106.0       1.1
     107.0       1.3
     108.0       1.8
     120.0      33.8
     121.0       3.5
     129.0       3.2
     133.0       1.2
     134.0       3.4
     135.0       3.0
     136.0       1.2
     137.0      29.7
     138.0       2.6
     148.0       1.6
     149.0       1.3
     175.0       5.7
     176.0      21.9
     177.0       2.8