ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003943
RECORD_TITLE: 2,3,5-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$NAME: 2,3,5-TRIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(C)c(C)n1
CH$IUPAC: InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
CH$LINK: COMPTOX DTXSID80219734
CH$LINK: INCHIKEY GFYHSKONPJXCDE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12759

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$SPLASH: splash10-00fr-9800000000-73d1167319b22bde651b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  26 4 40
  27 18.9 189
  28 13.3 133
  29 0.29 3
  32 2 20
  37 2.8 28
  38 6.5 65
  39 2.99 30
  40 4.7 47
  41 9 90
  42 7 70
  43 0.33 3
  50 6.5 65
  51 14.3 143
  52 10.5 105
  53 1.28 13
  54 4.3 43
  62 3.8 38
  63 5.4 54
  64 0.39 4
  65 6.5 65
  66 3.4 34
  67 2.9 29
  73 0.3 3
  74 2.5 25
  76 3.2 32
  77 17.5 175
  78 0.6 6
  79 28.8 288
  80 7.3 73
  81 3 30
  91 0.6 6
  92 2.7 27
  93 6.7 67
  94 3.9 39
  104 0.22 2
  105 3 30
  106 26.8 268
  118 3 30
  119 0.49 5
  120 46.9 469
  121 99.99 999
  122 8 80
  134 0.27 3
  135 2 20
//