ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005291
RECORD_TITLE: BETA-PICOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-PICOLINE
CH$NAME: 3-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇N
CH$EXACT_MASS: 93.05785
CH$SMILES: Cc(c1)cncc1
CH$IUPAC: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
CH$LINK: INCHIKEY ITQTTZVARXURQS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021897

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-6547e160a6da43a20e11
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 2.01 20
  27 2.98 30
  28 3.53 35
  31 1.04 10
  37 3.6 36
  38 8.23 82
  39 28.3 283
  40 12.38 124
  41 2.8 28
  45.5 1.1 11
  50 3.29 33
  51 5.37 54
  52 2.68 27
  53 2.32 23
  54 2.5 25
  61 2.25 23
  62 3.54 35
  63 7.44 74
  64 3.53 35
  65 23.49 235
  66 39.28 393
  67 9.82 98
  78 3.53 35
  91 1.83 18
  92 30.01 300
  93 99.99 999
  94 7.07 71
//