ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005092
RECORD_TITLE: 4-BENZYLPYRIDINE; 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$NAME: 4-BENZYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11N
CH$EXACT_MASS: 169.08915
CH$SMILES: c(c2)ccc(c2)Cc(c1)ccnc1
CH$IUPAC: InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
CH$LINK: INCHIKEY DBOLXXRVIFGDTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5062188
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-3900000000-df2b6f04991ab1fc3880
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39 8.4 84
  51 15.1 151
  63 7.3 73
  65 1.13 11
  77 10.4 104
  78 5.6 56
  83.5 4.5 45
  89 0.58 6
  91 25.9 259
  115 13.1 131
  139 7.8 78
  140 0.49 5
  141 11.1 111
  166 5.5 55
  167 33.4 334
  168 7.5 75
  169 99.99 999
  170 13.4 134
//
