ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007844
RECORD_TITLE: 2,4,6-TRIMETHYLPYRIDINE; 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$NAME: 2,4,6-TRIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(C)nc(C)1
CH$IUPAC: InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
CH$LINK: CAS 108-75-8
CH$LINK: COMPTOX DTXSID1051561
CH$LINK: INCHIKEY BWZVCCNYKMEVEX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7953

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$SPLASH: splash10-00di-8900000000-43f56e5c02683337a215
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 15.62 156
  28 6.82 68
  39 26.83 268
  40 2.31 23
  41 6.64 66
  42 11.12 111
  51 11.22 112
  52 1.12 11
  53 9.22 92
  63 4.61 46
  65 4.51 45
  77 13.22 132
  78 3.2 32
  79 25.73 257
  91 1.08 11
  93 4.81 48
  94 2.31 23
  105 3.31 33
  106 16.93 169
  107 3.62 36
  120 23.83 238
  121 99.99 999
  122 8.69 87
//