ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007843
RECORD_TITLE: 2,3,6-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$NAME: 2,3,6-TRIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)nc(C)c(C)c1
CH$IUPAC: InChI=1S/C8H11N/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3
CH$LINK: CAS 1462-84-6
CH$LINK: INCHIKEY UTBIMNXEDGNJFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5051731

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$SPLASH: splash10-00di-7900000000-8c231dcbaf783de9a5c0
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  26 4.41 44
  27 18.63 186
  39 21.53 215
  40 1.12 11
  41 6.34 63
  42 12.92 129
  51 17.23 172
  52 2.31 23
  53 12.72 127
  63 4.71 47
  65 4.31 43
  77 18.63 186
  78 4.02 40
  79 33.94 339
  80 1.31 13
  91 2.32 23
  93 0.51 5
  104 1.51 15
  105 3.86 39
  106 16.42 164
  120 59.46 595
  121 99.99 999
  122 9.18 92
//