ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007905
RECORD_TITLE: 4,6-DICHLORO-5-HEPTYL-2-METHYLPYRIMIDINE; 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$NAME: 4,6-DICHLORO-5-HEPTYL-2-METHYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18Cl2N2
CH$EXACT_MASS: 260.08470
CH$SMILES: CCCCCCCc(c(Cl)1)c(Cl)nc(C)n1
CH$IUPAC: InChI=1S/C12H18Cl2N2/c1-3-4-5-6-7-8-10-11(13)15-9(2)16-12(10)14/h3-8H2,1-2H3
CH$LINK: INCHIKEY ZUEZUFNWYSUGEG-UHFFFAOYSA-N
AC$INSTRUMENT: MS-902
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: splash10-004l-9440000000-d6b0e549b99e94525613
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  41 19.9 199
  42 5.3 53
  43 99.99 999
  44 0.29 3
  45 1 10
  49 2 20
  52 1.1 11
  53 0.13 1
  54 1 10
  55 5.2 52
  56 5.3 53
  57 1.71 17
  61 1 10
  64 2.7 27
  65 1.3 13
  66 0.1 1
  67 1.1 11
  68 1.1 11
  69 2.6 26
  70 0.29 3
  71 1.1 11
  73 2.7 27
  75 1 10
  76 0.15 2
  78 2.5 25
  79 1 10
  82 1 10
  83 0.1 1
  85 10.8 108
  90 1.7 17
  112 1.1 11
  114 0.11 1
  115 1.5 15
  134 2.7 27
  136 1.5 15
  139 0.19 2
  140 1.5 15
  141 2.3 23
  143 1 10
  149 0.15 2
  163 2.5 25
  165 2.4 24
  167 1 10
  175 1.19 12
  176 32 320
  177 8.8 88
  178 20.2 202
  179 0.26 3
  180 2.1 21
  183 1.5 15
  197 1.1 11
  205 0.1 1
  225 52.5 525
  226 7.1 71
  227 18 180
  228 1.7 17
//
