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1080-44-0

N-对甲苯磺酰甘氨酸(1080-44-0)质谱(MS)

分子式:C9H11NO4S

分子量: 229.25

InChI:InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)

InChIKey: VDKFCCZUCXYILI-UHFFFAOYSA-N

Smiles:C(O)(=O)CNS(C1=CC=C(C)C=C1)(=O)=O

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    Mass

    MS-IW-6380          
    N-tosylglycine
    C9H11NO4S           (Mass of molecular ion:    229)
    

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

          18.0       5.0
          27.0       1.6
          28.0       3.2
          30.0      28.8
          36.0       1.4
          39.0       5.0
          41.0       1.7
          44.0       2.1
          45.0       1.4
          50.0       1.2
          51.0       2.3
          62.0       1.1
          63.0       3.9
          64.0       1.3
          65.0      18.4
          66.0       1.1
          77.0       2.0
          79.0       1.1
          89.0       4.8
          90.0       2.8
          91.0     100.0
          92.0      16.6
          93.0       1.1
         104.0       1.1
         107.0       1.6
         120.0       1.2
         123.0       1.4
         124.0       4.7
         139.0       1.9
         155.0      77.8
         156.0      10.9
         157.0       4.5
         184.0      41.8
         185.0       4.3
         186.0       2.3
         229.0       4.2
    

KBr disc

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nujol mull

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