ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006255
RECORD_TITLE: 4-(4-NITROBENZYL)PYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-(4-NITROBENZYL)PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10N2O2
CH$EXACT_MASS: 214.07423
CH$SMILES: [O-1][N+1](=O)c(c2)ccc(c2)Cc(c1)ccnc1
CH$IUPAC: InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
CH$LINK: CAS 1083-48-3
CH$LINK: INCHIKEY MNHKUCBXXMFQDM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061482
AC$INSTRUMENT: HITACHI M-80
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: splash10-02t9-3940000000-5f69fdcb9427ffac5e02
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  30 6.99 70
  32 1.55 16
  38 1.39 14
  39 9.8 98
  40 0.85 9
  41 1.06 11
  50 5.87 59
  51 11.34 113
  52 2.93 29
  53 0.66 7
  54 1.71 17
  55 0.54 5
  57 1.19 12
  61 0.53 5
  62 3.19 32
  63 10.35 104
  64 3.08 31
  65 6.99 70
  66 0.67 7
  74 1.85 19
  75 2.34 23
  76 2.2 22
  77 5.83 58
  78 5.95 60
  79 1.02 10
  84 3.03 30
  86 1.02 10
  87 1.82 18
  88 1.37 14
  91 1.88 19
  92 2.63 26
  93 0.5 5
  101 0.8 8
  102 2.27 23
  103 1.13 11
  106 1.49 15
  107 3.55 36
  113 1.99 20
  114 2.3 23
  115 15.71 157
  116 3.07 31
  117 1.81 18
  126 1.1 11
  127 2.64 26
  128 4.57 46
  129 2.23 22
  130 1.09 11
  138 0.84 8
  139 16.11 161
  140 9.03 90
  141 8.64 86
  142 1.65 17
  153 0.96 10
  154 3.52 35
  155 1.85 19
  156 10.45 105
  157 1.46 15
  164 0.54 5
  165 1.08 11
  166 13.26 133
  167 75.31 753
  168 47.74 477
  169 6.23 62
  183 1.28 13
  184 7.72 77
  185 1.06 11
  197 4.28 43
  198 1.44 14
  213 2.34 23
  214 99.99 999
  215 14.16 142
  216 1.41 14
//
