MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005639

3-CYANOPYRIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005639
RECORD_TITLE: 3-CYANOPYRIDINE; 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

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CH$NAME: 3-CYANOPYRIDINE
CH$NAME: NICOTINONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄N₂
CH$EXACT_MASS: 104.03745
CH$SMILES: N#Cc(c1)cncc1
CH$IUPAC: InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
CH$LINK: INCHIKEY GZPHSAQLYPIAIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026665

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-9700000000-177c1535f4599f897151
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 6.48 65
  37 1.02 10
  38 1.06 11
  39 1.42 14
  49 3.72 37
  50 26.48 265
  51 14.33 143
  52 4.38 44
  53 2.41 24
  64 1.13 11
  75 8.83 88
  76 14.72 147
  77 43.25 433
  78 1.8 18
  103 2.18 22
  104 99.99 999
  105 6.49 65
//