ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007858
RECORD_TITLE: 5-METHYL-3-PROPYLPYRIDINE; 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$NAME: 5-METHYL-3-PROPYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃N
CH$EXACT_MASS: 135.10480
CH$SMILES: CCCc(c1)cc(C)cn1
CH$IUPAC: InChI=1S/C9H13N/c1-3-4-9-5-8(2)6-10-7-9/h5-7H,3-4H2,1-2H3
CH$LINK: INCHIKEY HVSAUQKNIJRYSR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10968763

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$SPLASH: splash10-0a4i-5900000000-def82a89e83f52d2b850
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 1.46 15
  29 1.31 13
  39 3.72 37
  40 1.06 11
  41 7.02 70
  50 4.12 41
  51 12.02 120
  52 2.01 20
  53 9.02 90
  63 6.02 60
  64 1.56 16
  65 7.02 70
  66 1.63 16
  77 22.03 220
  78 4.38 44
  79 18.03 180
  80 2.1 21
  91 4.01 40
  92 1.91 19
  93 4.01 40
  105 3.81 38
  106 99.99 999
  107 15.02 150
  119 2.64 26
  120 8.02 80
  121 2.01 20
  134 3.89 39
  135 36.04 360
  136 4.88 49
//