ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007862
RECORD_TITLE: PHENYL 2-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$NAME: PHENYL 2-PYRIDYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉NO
CH$EXACT_MASS: 183.06841
CH$SMILES: c(c2)ccc(c2)C(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
CH$LINK: CAS 91-02-1
CH$LINK: INCHIKEY GCSHUYKULREZSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059016

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$SPLASH: splash10-0a59-2900000000-e1e480b34f8f75a3deee
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 1.84 18
  39 2.13 21
  50 13.21 132
  51 30.51 305
  52 3.61 36
  74 4.71 47
  75 4.21 42
  76 1.03 10
  77 23.41 234
  78 17.01 170
  79 3.64 36
  104 1.82 18
  105 85 850
  106 8.01 80
  107 1.04 10
  154 28.01 280
  155 99.99 999
  156 11.68 117
  182 75.13 751
  183 79.06 791
  184 10.26 103
  185 0.76 8
//