ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001665
RECORD_TITLE: BUTYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O
CH$EXACT_MASS: 162.10447
CH$SMILES: CCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
CH$LINK: INCHIKEY XKGLSKVNOSHTAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061406

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-3900000000-d4ceda523827189bf3d1
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 1.54 15
  29 1.46 15
  39 1.46 15
  41 1.54 15
  50 1.9 19
  51 8.63 86
  55 1.61 16
  76 1.17 12
  77 41.4 414
  78 5.85 59
  91 1 10
  105 99.99 999
  106 7.32 73
  120 45.5 455
  121 3.8 38
  133 2.19 22
  162 2.19 22
//