8000-34-8

丁香油(8000-34-8)质谱(MS)

产品名称:丁香油

CAS:8000-34-8

分子式:C7H12ClN3O2

分子量: 205.64208

InChI:InChI=1/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H/t6-;/s3

InChIKey: VEEIFXWJNCAVEQ-UZHXKHNSNA-N

Smiles:C(OC)(=O)[C@H](N)CC1NC=NC=1.[H]Cl |&1:4,r|

IR1

Mass

                    

                    (Mass of molecular ion:      0)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.4
      26.0       1.4
      27.0       9.1
      28.0       2.4
      29.0       2.2
      38.0       2.9
      39.0      18.9
      40.0       3.8
      41.0      14.3
      43.0       4.2
      50.0       5.6
      51.0      15.1
      52.0       6.3
      53.0       7.5
      55.0      22.0
      56.0       1.0
      62.0       2.6
      63.0       6.7
      64.0       2.3
      65.0      13.0
      66.0       5.9
      67.0       4.3
      68.0       1.2
      69.0       5.4
      74.0       1.5
      75.0       1.9
      76.0       1.4
      77.0      34.3
      78.0      10.3
      79.0      12.5
      80.0       2.8
      81.0       4.8
      82.0       1.0
      89.0       2.4
      90.0       1.0
      91.0      28.6
      92.0       4.9
      93.0      15.9
      94.0       9.1
      95.0       2.6
     102.0       2.3
     103.0      29.0
     104.0      19.4
     105.0      12.5
     106.0       3.1
     107.0       6.1
     108.0       1.3
     109.0       1.7
     115.0       2.9
     117.0       1.5
     118.0       1.0
     119.0       4.5
     120.0       3.5
     121.0      23.2
     122.0       8.0
     123.0       1.3
     131.0      22.8
     132.0       9.7
     133.0      21.7
     134.0       3.3
     135.0       2.3
     136.0       1.1
     137.0      18.6
     138.0       1.7
     147.0       6.6
     148.0       2.1
     149.0      35.4
     150.0       3.7
     161.0       3.0
     162.0       1.0
     163.0       3.9
     164.0     100.0
     165.0      11.0
     166.0       1.2
     189.0       1.2
     204.0       1.1

liquid film