ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003944
RECORD_TITLE: 2,3,6-TRIMETHYLPYRIDINE; 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$NAME: 2,3,6-TRIMETHYLPYRIDINE
CH$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$LINK: INCHIKEY UTBIMNXEDGNJFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5051731

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-8900000000-32e47f86dc7d73169823
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  26 4.2 42
  27 19.6 196
  28 5 50
  29 0.34 3
  37 3 30
  38 4.3 43
  39 22.5 225
  40 0.39 4
  41 6 60
  42 7.3 73
  50 8.9 89
  51 1.69 17
  52 9.5 95
  53 12.8 128
  54 3.1 31
  62 0.29 3
  63 4.3 43
  64 4 40
  65 4.2 42
  66 0.35 4
  74 3.7 37
  75 2.9 29
  76 3.6 36
  77 2.07 21
  78 8.8 88
  79 33.5 335
  80 8.9 89
  81 0.3 3
  91 3.6 36
  92 2 20
  93 3.9 39
  94 0.35 4
  104 2 20
  106 17.1 171
  107 3.2 32
  118 0.36 4
  119 5.9 59
  120 60.1 601
  121 99.99 999
  122 9.4 94
//