551-16-6

6-Aminopenicillanic acid(551-16-6) MS

Product Name6-Aminopenicillanic acid

CAS 551-16-6

Molecular FormulaC8H12N2O3S

Molecular Weight216.26

InChIInChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

InChIKey NGHVIOIJCVXTGV-ALEPSDHESA-N

SmilesN12[C@@]([H])([C@H](N)C1=O)SC(C)(C)[C@@H]2C(O)=O

Request For Quotation

IR1

IR2

Raman

6-Aminopenicillanic acid(551-16-6) MS
Mass

MS-NW-4560          
6-aminopenicillanic acid
C8H12N2O3S          (Mass of molecular ion:    216)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      12.0       1.4
      15.0       3.2
      16.0       3.9
      17.0       4.9
      18.0      16.6
      22.0       1.1
      26.0       1.2
      27.0       8.6
      28.0      17.6
      29.0      14.0
      30.0      37.3
      32.0       4.8
      33.0       4.7
      34.0      12.2
      36.0       1.0
      38.0       1.4
      39.0      11.8
      40.0       2.8
      41.0      14.4
      42.0       9.8
      43.0       9.2
      44.0     100.0
      45.0       9.6
      46.0       2.1
      47.0       4.0
      48.0       3.1
      51.0       1.3
      52.0       1.2
      53.0       6.2
      54.0       4.0
      55.0      13.7
      56.0       4.6
      57.0       9.2
      58.0       2.8
      59.0       8.3
      60.0       2.3
      61.0       3.1
      62.0       2.4
      67.0       1.7
      68.0       3.0
      69.0      12.0
      70.0       6.7
      71.0       3.2
      72.0       1.1
      73.0       3.5
      74.0      13.4
      75.0      63.1
      76.0       3.1
      77.0       3.2
      80.0       1.2
      81.0       1.8
      82.0       5.5
      83.0       6.2
      84.0       1.5
      85.0       2.3
      86.0       1.7
      87.0       7.9
      88.0       2.4
      89.0       1.4
      94.0       1.1
      95.0       1.8
      96.0       1.7
      97.0       4.1
      98.0      16.3
      99.0       4.8
     100.0       8.9
     101.0       1.3
     109.0       1.2
     110.0       1.1
     111.0       1.0
     112.0       1.8
     114.0      27.2
     115.0       4.4
     116.0      13.1
     117.0       1.0
     123.0       1.3
     126.0       1.1
     127.0       5.1
     128.0       1.0
     138.0       1.3
     139.0       1.1
     142.0       2.5
     160.0      56.7
     161.0       4.9
     162.0       3.0
     172.0       2.6
     183.0       3.3
     216.0       6.0

KBr disc