1,3-Benzenedimethanol(626-18-6) MS

Product Name1,3-Benzenedimethanol

CAS 626-18-6

Molecular FormulaC8H10O2

Molecular Weight138.16

InChIInChI=1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2

InChIKey YWMLORGQOFONNT-UHFFFAOYSA-N

SmilesC1(CO)=CC=CC(CO)=C1

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Mass

MS-NW-7416          
m-xylene-alpha,alpha'-diol
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.5
      28.0       2.0
      29.0       5.5
      31.0      12.7
      37.0       1.0
      38.0       2.4
      39.0      11.7
      40.0       1.5
      41.0       3.7
      43.0       1.5
      47.0       1.7
      50.0       7.0
      51.0      15.8
      52.0       4.8
      53.0       6.2
      55.0       2.3
      60.0       2.3
      61.0       1.2
      62.0       3.2
      63.0       8.2
      64.0       1.8
      65.0      11.0
      66.0       1.8
      67.0       1.1
      68.0       2.4
      74.0       2.8
      75.0       2.2
      76.0       2.1
      77.0      50.7
      78.0       9.3
      79.0     100.0
      80.0       7.0
      81.0       1.9
      89.0      12.8
      90.0       4.5
      91.0      73.3
      92.0      51.1
      93.0       4.5
     103.0       1.9
     105.0       3.4
     107.0      76.4
     108.0       7.6
     109.0       1.1
     119.0      12.5
     120.0      20.8
     121.0       8.4
     135.0       2.4
     136.0       1.6
     137.0       8.0
     138.0      63.8
     139.0       5.7

in CDCl3