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MassBank Record: JP003931

2,5-DIMETHYLPYRIDINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003931
RECORD_TITLE: 2,5-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$NAME: 2,5-DIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.07350
CH$SMILES: Cc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
CH$LINK: INCHIKEY XWKFPIODWVPXLX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060436

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$SPLASH: splash10-0a4i-9700000000-5c03b21b0a307e18b2cb
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 7.2 72
  27 16.9 169
  28 13.3 133
  37 0.35 4
  38 7.1 71
  39 31.2 312
  40 6.2 62
  41 0.6 6
  42 4.9 49
  49 2.9 29
  50 11.1 111
  51 1.6 16
  52 12.1 121
  53 7.6 76
  54 2.3 23
  61 0.29 3
  62 2.6 26
  63 6 60
  64 2.5 25
  65 1.05 11
  66 11.4 114
  67 2.4 24
  74 2.7 27
  75 0.22 2
  76 2 20
  77 13.1 131
  78 5 50
  79 2.78 28
  80 7.2 72
  91 2.2 22
  92 13 130
  93 0.31 3
  104 3 30
  105 5.6 56
  106 62 620
  107 99.99 999
  108 6.8 68
//

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