ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007861
RECORD_TITLE: ETHYL 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$NAME: ETHYL 3-PYRIDYL KETONE
CH$NAME: 1-(3-PYRIDYL)-1-PROPANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO
CH$EXACT_MASS: 135.06841
CH$SMILES: CCC(=O)c(c1)cncc1
CH$IUPAC: InChI=1S/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
CH$LINK: CAS 1570-48-5
CH$LINK: INCHIKEY VDNKJMUNLKAGAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90166184

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$SPLASH: splash10-0pdi-9600000000-6ba0665d857e33d5187e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 1.06 11
  29 14.82 148
  31 4.81 48
  39 6.32 63
  40 1.01 10
  41 2.31 23
  42 1.34 13
  43 5.11 51
  50 15.92 159
  51 39.95 400
  52 1.24 12
  53 2.18 22
  63 1.91 19
  64 1.03 10
  65 1.41 14
  77 1.63 16
  78 70.57 706
  79 6.92 69
  93 1.81 18
  105 3.86 39
  106 99.99 999
  107 7.22 72
  135 19.23 192
  136 1.71 17
//