MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005036

6,6'-DIMETHYL-3,3'-TETRAMETHYLENEDIPYRIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005036
RECORD_TITLE: 6,6'-DIMETHYL-3,3'-TETRAMETHYLENEDIPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: 6,6'-DIMETHYL-3,3'-TETRAMETHYLENEDIPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀N₂
CH$EXACT_MASS: 240.16265
CH$SMILES: Cc(c1)ncc(CCCCc(c2)cnc(C)c2)c1
CH$IUPAC: InChI=1S/C16H20N2/c1-13-7-9-15(11-17-13)5-3-4-6-16-10-8-14(2)18-12-16/h7-12H,3-6H2,1-2H3
CH$LINK: INCHIKEY HFVGYRZKBWBJRR-UHFFFAOYSA-N

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AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052f-2980000000-daacc2ca7ef33cbb0679
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 4.5 45
  40 1 10
  41 2.5 25
  43 1.16 12
  51 2.5 25
  65 4.8 48
  66 1.2 12
  77 2.25 23
  78 6.4 64
  79 12.8 128
  92 1.4 14
  106 6.95 70
  107 70.5 705
  108 5.3 53
  120 23.7 237
  121 0.21 2
  134 20.1 201
  135 1.8 18
  238 6.9 69
  239 0.12 1
  240 99.99 999
  241 18.3 183
//