ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002046
RECORD_TITLE: 5-CHLORO-2-DIMETHYLAMINOPYRIMIDINE; 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$NAME: 5-CHLORO-2-DIMETHYLAMINOPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈ClN₃
CH$EXACT_MASS: 157.04067
CH$SMILES: CN(C)c(n1)ncc(Cl)c1
CH$IUPAC: InChI=1S/C6H8ClN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
CH$LINK: INCHIKEY NAMGQSSLAIYNCN-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$SPLASH: splash10-0a6u-3900000000-141560089c5c9c461abc
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  36 3.7 37
  38 1.2 12
  39 1.8 18
  40 0.26 3
  41 3.6 36
  42 26.3 263
  43 7.4 74
  44 8.25 83
  45 2 20
  51 3.8 38
  52 7 70
  53 0.65 7
  54 2.7 27
  55 2.9 29
  58 1.8 18
  59 0.26 3
  60 2.6 26
  61 1.6 16
  66 1.1 11
  67 0.16 2
  69 11.8 118
  70 6 60
  73 1 10
  74 0.22 2
  77 1.8 18
  78.5 3.2 32
  79 4.9 49
  80 0.24 2
  82 1.6 16
  83 3.2 32
  86 3.5 35
  87 0.7 7
  88 3.2 32
  89 2.6 26
  90 1 10
  95 0.11 1
  100 1.4 14
  101 2 20
  102 1.6 16
  103 0.15 2
  107 4.4 44
  108 1 10
  113 5.6 56
  114 1.81 18
  115 15.2 152
  116 6.5 65
  117 4.3 43
  121 0.15 2
  127 1.2 12
  128 74 740
  129 10.3 103
  130 2.45 25
  131 3.3 33
  137 1 10
  142 54.8 548
  143 0.34 3
  144 15.9 159
  145 1.2 12
  154 1 10
  156 2.66 27
  157 99.99 999
  158 14 140
  159 29.1 291
  160 2.3 23
//