ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007863
RECORD_TITLE: PHENYL 3-PYRIDYL KETONE; 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$NAME: PHENYL 3-PYRIDYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉NO
CH$EXACT_MASS: 183.06841
CH$SMILES: c(c2)ccc(c2)C(=O)c(c1)cncc1
CH$IUPAC: InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H
CH$LINK: CAS 5424-19-1
CH$LINK: INCHIKEY RYMBAPVTUHZCNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90202591

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$SPLASH: splash10-0a59-4900000000-9abd03ca48125a31e072
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 1.35 14
  39 2.36 24
  50 16.01 160
  51 47.01 470
  52 3.48 35
  65 1.08 11
  74 4.01 40
  75 4.32 43
  76 2.83 28
  77 6.71 67
  78 32.06 321
  79 1.99 20
  93 1.01 10
  95 1.21 12
  104 2.88 29
  105 99.99 999
  106 27.01 270
  107 1.43 14
  154 3.71 37
  155 3.04 30
  182 22.51 225
  183 91.51 915
  184 11.63 116
  185 0.93 9
//