Tris(hydroxymethyl)nitromethane(126-11-4) MS

Product NameTris(hydroxymethyl)nitromethane

CAS 126-11-4

Molecular FormulaC4H9NO5

Molecular Weight151.12

InChIInChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2

InChIKey OLQJQHSAWMFDJE-UHFFFAOYSA-N

SmilesC(O)C(CO)([N+]([O-])=O)CO

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Mass

MS-NW-5100          
2-hydroxymethyl-2-nitro-1,3-propanediol
C4H9NO5             (Mass of molecular ion:    151)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      12.0       1.0
      13.0       1.0
      14.0       1.8
      15.0       3.1
      17.0       6.9
      18.0      31.9
      19.0      12.6
      25.0       1.4
      26.0       8.6
      27.0      33.3
      28.0      23.0
      29.0      90.4
      30.0      50.1
      31.0      71.3
      32.0       1.4
      37.0       1.3
      38.0       2.5
      39.0      14.0
      40.0       8.8
      41.0      22.3
      42.0       2.5
      43.0       8.3
      44.0       4.0
      45.0       9.8
      46.0       1.7
      47.0       4.0
      48.0       1.4
      49.0       1.3
      53.0       1.1
      54.0       1.8
      55.0      17.7
      56.0      27.7
      57.0     100.0
      58.0       5.3
      59.0       1.5
      68.0      10.8
      69.0       4.8
      73.0      13.2
      74.0      12.3
      75.0       2.0
      85.0       4.3
      86.0       6.0
      87.0       4.0
     104.0       1.9

in D2O