ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003855
RECORD_TITLE: DESIPRAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DESIPRAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂N₂
CH$EXACT_MASS: 266.17830
CH$SMILES: CNCCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022896

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0544-7980000000-e155fe1ae5cd0aa22da3
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  40 2.4 24
  41 7.9 79
  42 14.4 144
  43 0.59 6
  44 50.9 509
  45 2.9 29
  55 4.9 49
  56 0.64 6
  57 6.9 69
  58 36.9 369
  59 1.9 19
  65 0.49 5
  67 2.9 29
  68 2.9 29
  69 2.1 21
  70 1.39 14
  71 41.9 419
  72 9.9 99
  73 1.9 19
  77 0.89 9
  78 3.9 39
  79 1.9 19
  82 7.9 79
  83 1.09 11
  84 56.9 569
  85 4.9 49
  86 1.4 14
  89 0.79 8
  90 4.4 44
  91 13.9 139
  92 1.9 19
  96 0.59 6
  97 5.9 59
  98 6.9 69
  99 15.9 159
  100 0.44 4
  104 3.9 39
  105 3.4 34
  106 7.4 74
  107 0.49 5
  114 6.4 64
  115 5.9 59
  116 3.9 39
  117 0.79 8
  118 6.9 69
  124 6.9 69
  125 2.9 29
  126 0.09 1
  127 2.4 24
  128 4.4 44
  129 5.4 54
  130 2.09 21
  131 4.9 49
  132 1.9 19
  133 5.4 54
  139 0.39 4
  140 9.9 99
  141 3.4 34
  142 1.9 19
  143 0.29 3
  144 2.9 29
  150 0.4 4
  151 3.4 34
  152 0.79 8
  153 3.4 34
  154 2.9 29
  163 2.9 29
  164 0.24 2
  165 16.4 164
  166 7.9 79
  167 17.4 174
  168 0.49 5
  176 2.9 29
  177 3.9 39
  178 9.4 94
  179 1.24 12
  180 15.9 159
  181 3.9 39
  182 0.9 9
  183 0.09 1
  190 3.4 34
  191 7.9 79
  192 17.9 179
  193 6.99 70
  194 58.4 584
  195 99.99 999
  196 18.4 184
  197 0.27 3
  198 3.4 34
  199 2.9 29
  200 2.4 24
  201 0.34 3
  202 1.9 19
  203 2.4 24
  204 8.4 84
  205 0.54 5
  206 17.4 174
  207 7.9 79
  208 69.9 699
  217 0.29 3
  218 6.9 69
  219 3.9 39
  220 21.4 214
  221 0.89 9
  222 12.9 129
  223 3.9 39
  232 0.4 4
  233 0.49 5
  234 77.9 779
  235 94 940
  236 17.9 179
  237 0.24 2
  256 3.9 39
  264 1.4 14
  265 1.9 19
  266 6.39 64
  267 11.9 119
  268 1.9 19
//