Reserpine(50-55-5) MS

Molecular FormulaC33H40N2O9

Molecular Weight608.69

InChIInChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/s3

InChIKey QEVHRUUCFGRFIF-SYDNJRQYNA-N

SmilesC([C@@H]1[C@H]([C@H](OC(C2C=C(OC)C(OC)=C(OC)C=2)=O)C[C@]2([H])CN3CCC4C5C=CC(OC)=CC=5NC=4[C@@]3([H])C[C@]12[H])OC)(=O)OC |&1:1,2,3,20,37,40,r|

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Mass

MS-NW-9072          
reserpine
C33H40N2O9          (Mass of molecular ion:    608)

   Source Temperature: 250 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      77.0       1.4
      81.0       1.3
      93.0       1.5
      97.0       1.0
     109.0       1.2
     111.0       1.1
     137.0       1.8
     139.0       1.2
     141.0       1.8
     143.0       1.0
     151.0       1.2
     152.0       2.3
     154.0       1.7
     160.0       1.9
     161.0       1.1
     167.0       1.5
     168.0       1.9
     169.0       2.4
     170.0       1.1
     172.0       1.3
     173.0       2.5
     174.0       3.3
     181.0       1.3
     182.0       1.3
     183.0       1.0
     184.0       1.6
     185.0       1.2
     186.0       5.4
     187.0       2.4
     195.0      19.9
     196.0       2.8
     197.0       9.3
     198.0       3.1
     199.0       6.2
     200.0       8.4
     201.0       1.9
     211.0       1.1
     212.0      20.2
     213.0       4.5
     214.0      10.7
     215.0       2.1
     224.0       1.9
     225.0       1.9
     226.0       1.8
     227.0       2.8
     228.0       1.6
     236.0       2.1
     237.0       1.4
     238.0       2.5
     239.0       3.0
     240.0       1.4
     241.0       1.6
     249.0       1.4
     250.0       1.4
     251.0       9.1
     252.0       3.9
     253.0       4.0
     254.0       6.0
     255.0       1.8
     263.0       1.0
     265.0       3.4
     266.0       1.1
     267.0       3.4
     268.0       1.0
     277.0       1.0
     279.0       1.9
     287.0       1.2
     289.0       1.0
     297.0       2.1
     298.0       1.2
     299.0       2.6
     300.0       3.0
     301.0       2.0
     302.0       1.9
     303.0       2.0
     304.0       1.7
     305.0       1.8
     306.0       1.1
     307.0       1.0
     313.0       1.1
     314.0       1.3
     321.0       1.9
     323.0       2.2
     328.0       1.9
     329.0       1.2
     330.0       1.1
     335.0       1.1
     337.0       3.4
     341.0       1.0
     345.0       1.0
     347.0       1.5
     349.0       1.4
     357.0       1.2
     358.0       3.0
     359.0       3.4
     360.0       4.1
     361.0       2.4
     362.0       2.6
     363.0       4.7
     364.0       3.1
     365.0      12.1
     366.0       4.5
     367.0       1.9
     369.0       1.9
     377.0       1.3
     379.0       8.2
     380.0       2.8
     381.0      25.7
     382.0       6.8
     383.0       1.3
     392.0       1.1
     393.0       1.8
     394.0       7.5
     395.0      29.1
     396.0      29.1
     397.0      28.5
     398.0       7.1
     399.0       1.2
     413.0       3.0
     448.0       2.8
     450.0       1.2
     463.0       1.3
     577.0       5.5
     578.0       2.9
     579.0       1.3
     593.0      10.6
     594.0       4.9
     607.0      44.8
     608.0     100.0
     609.0      35.1