ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003938
RECORD_TITLE: 3,5-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$NAME: 3,5-DIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)cc(C)cn1
CH$IUPAC: InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
CH$LINK: COMPTOX DTXSID5052254
CH$LINK: INCHIKEY HWWYDZCSSYKIAD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11565

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$SPLASH: splash10-0a4i-9500000000-61b1c8e6f7f613264785
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  26 3.3 33
  27 16 160
  28 7.8 78
  29 0.32 3
  37 4.9 49
  38 11.2 112
  39 37.3 373
  40 0.67 7
  41 6.2 62
  42 2.8 28
  49 2 20
  50 0.71 7
  51 15.6 156
  52 9.2 92
  53 10.3 103
  54 0.41 4
  61 2.8 28
  62 3 30
  63 5.6 56
  64 0.32 3
  65 7.8 78
  66 7.9 79
  67 4.2 42
  68 0.28 3
  74 2.5 25
  75 2.3 23
  76 2 20
  77 1.55 16
  78 8.4 84
  79 35.3 353
  80 8.8 88
  81 0.35 4
  91 2.9 29
  92 20.9 209
  93 2 20
  104 0.27 3
  105 5.8 58
  106 49.1 491
  107 99.99 999
  108 7.9 79
//