ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007852
RECORD_TITLE: 3-ETHYL-5-METHYLPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 3-ETHYL-5-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: CCc(c1)cc(C)cn1
CH$IUPAC: InChI=1S/C8H11N/c1-3-8-4-7(2)5-9-6-8/h4-6H,3H2,1-2H3
CH$LINK: CAS 3999-78-8
CH$LINK: INCHIKEY XTLUAAHBKVFNPF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40193046

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-4900000000-0b7a0efe3772ddd99005
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  29 2.01 20
  39 29.04 290
  40 1.12 11
  41 6.82 68
  51 13.02 130
  52 2.46 25
  53 11.02 110
  63 6.82 68
  64 1.31 13
  65 9.22 92
  77 22.03 220
  78 1.83 18
  79 17.53 175
  80 1.05 11
  91 5.72 57
  92 10.52 105
  105 2.29 23
  106 99.99 999
  107 10.02 100
  120 56.06 561
  121 83.08 831
  122 7.36 74
//