ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004487
RECORD_TITLE: 2-(4-METHOXYPHENYL)-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$NAME: 2-(4-METHOXYPHENYL)-5-NITROPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9N3O3
CH$EXACT_MASS: 231.06439
CH$SMILES: COc(c2)ccc(c2)c(n1)ncc([N+1]([O-1])=O)c1
CH$IUPAC: InChI=1S/C11H9N3O3/c1-17-10-4-2-8(3-5-10)11-12-6-9(7-13-11)14(15)16/h2-7H,1H3
CH$LINK: INCHIKEY JLTGSEDKVYQMJR-UHFFFAOYSA-N
AC$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: splash10-001i-5980000000-e85f879e42dd3f225680
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  38 1.4 14
  39 3.2 32
  40 1.1 11
  41 0.38 4
  42 3 30
  43 2.4 24
  44 2.7 27
  45 0.1 1
  50 2.1 21
  51 1.8 18
  52 1.8 18
  53 0.1 1
  54 1.1 11
  55 2.3 23
  56 1.3 13
  57 0.38 4
  59 0.3 3
  60 1.5 15
  61 0.4 4
  62 0.12 1
  63 3.5 35
  64 3.8 38
  65 2.7 27
  66 0.03 0
  67 0.7 7
  68 0.4 4
  69 1.7 17
  70 0.54 5
  71 3.6 36
  72 1.6 16
  73 1.5 15
  74 0.09 1
  75 1.4 14
  76 2.7 27
  77 7.3 73
  78 0.17 2
  79 1.5 15
  80 0.9 9
  81 0.9 9
  82 0.06 1
  83 0.9 9
  84 0.4 4
  85 1 10
  87 0.04 0
  88 0.5 5
  89 0.6 6
  90 3 30
  91 0.35 4
  92 3.2 32
  93 0.6 6
  94 0.4 4
  95 0.06 1
  96 0.3 3
  97 1 10
  102 1.6 16
  103 0.38 4
  104 1.1 11
  105 0.8 8
  106 0.4 4
  107 0.43 4
  108 1.1 11
  111 0.6 6
  113 0.3 3
  114 0.05 1
  115 1.8 18
  116 0.5 5
  117 1 10
  118 0.11 1
  119 5.4 54
  133 11.4 114
  134 32.4 324
  135 0.22 2
  142 1.9 19
  143 0.6 6
  146 1.8 18
  149 0.76 8
  150 23.8 238
  151 2.7 27
  158 14.5 145
  159 0.12 1
  170 3.2 32
  171 1 10
  172 0.4 4
  173 0.2 2
  174 0.9 9
  179 0.9 9
  185 15.2 152
  187 0.1 1
  201 2.7 27
  231 99.99 999
  232 10.8 108
//
