ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002048
RECORD_TITLE: 2-DIMETHYLAMINO-5-NITROPYRIMIDINE; 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$NAME: 2-DIMETHYLAMINO-5-NITROPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N4O2
CH$EXACT_MASS: 168.06473
CH$SMILES: CN(C)c(n1)ncc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H8N4O2/c1-9(2)6-7-3-5(4-8-6)10(11)12/h3-4H,1-2H3
CH$LINK: INCHIKEY IFFZVNFNYKKNFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60344538
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$SPLASH: splash10-00kf-6900000000-0cdab6a073c667cd1d89
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  38 1.1 11
  39 1.5 15
  40 4.3 43
  41 0.48 5
  42 30.3 303
  43 24.8 248
  44 65 650
  45 0.15 2
  50 2.4 24
  52 9 90
  53 8.3 83
  54 0.28 3
  55 4.3 43
  68 2 20
  69 13.5 135
  70 10 100
  71 0.15 2
  72 3.9 39
  77 1.8 18
  79 24 240
  80 1.58 16
  81 2.9 29
  93 8.5 85
  94 2.5 25
  95 0.98 10
  106 1.2 12
  107 45 450
  108 4 40
  109 0.16 2
  110 1.3 13
  121 28.8 288
  122 5.5 55
  123 0.12 1
  125 4.3 43
  135 4.3 43
  139 55 550
  140 0.43 4
  152 1.3 13
  153 37.1 371
  154 2.5 25
  167 1.53 15
  168 99.99 999
  169 9.5 95
//
