2451-01-6

TERPIN MONOHYDRATE(2451-01-6) MS

Product NameTERPIN MONOHYDRATE

CAS 2451-01-6

Molecular FormulaC10H20O2.H2O

Molecular Weight190.28

InChIInChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2

InChIKey JGKJMBOJWVAMIJ-UHFFFAOYSA-N

SmilesC(O)(C)(C)C1CCC(O)(C)CC1.O

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TERPIN MONOHYDRATE(2451-01-6) MS
Mass

MS-NW-9138          
cis-1,8-terpin monohydrate
C10H20O2 H2O        (Mass of molecular ion:    172)

   Source Temperature: 140 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      17.0       1.8
      18.0      11.2
      27.0       1.9
      29.0       2.9
      31.0       3.2
      39.0       2.0
      41.0       6.3
      43.0      37.2
      45.0       1.5
      53.0       1.5
      54.0       7.0
      55.0      13.6
      56.0       1.7
      57.0       1.9
      58.0       7.4
      59.0      51.9
      60.0       1.7
      66.0       1.0
      67.0      11.6
      68.0      15.1
      69.0       9.6
      71.0      15.6
      72.0       1.0
      77.0      15.4
      79.0       1.8
      81.0     100.0
      82.0       7.1
      83.0       4.6
      84.0       8.7
      85.0       1.3
      93.0       5.0
      94.0       1.8
      95.0      11.6
      96.0      99.2
      97.0      10.1
     107.0       1.4
     108.0       7.3
     111.0       4.7
     121.0       3.6
     125.0       3.1
     126.0       3.8
     136.0       4.3
     137.0       4.6
     139.0      20.0
     140.0       2.0
     154.0       5.4
     155.0       1.3

in DMSO-d6