ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003933
RECORD_TITLE: 3,4-DIMETHYLPYRIDINE; 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$NAME: 3,4-DIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)c(C)cnc1
CH$IUPAC: InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
CH$LINK: INCHIKEY NURQLCJSMXZBPC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1052244

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$SPLASH: splash10-0a4i-9400000000-2f7f4c305a707cb83f1c
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  26 5.8 58
  27 18.8 188
  28 9.7 97
  29 0.26 3
  37 4 40
  38 9.2 92
  39 33.8 338
  40 0.58 6
  41 6.5 65
  42 2.9 29
  49 3 30
  50 1.07 11
  51 17.9 179
  52 12.6 126
  53 11 110
  54 0.46 5
  61 2.7 27
  62 2.8 28
  63 7 70
  64 0.31 3
  65 11.5 115
  66 6 60
  67 3.8 38
  68 0.21 2
  75 2 20
  77 13.5 135
  78 7 70
  79 3.84 38
  80 8.8 88
  81 2.1 21
  91 3.2 32
  92 2.3 23
  93 4.9 49
  104 3.3 33
  105 6.1 61
  106 4.73 47
  107 99.99 999
  108 7 70
//