ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005655
RECORD_TITLE: PHENYL-N-PROPYL 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$NAME: PHENYL-N-PROPYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O
CH$EXACT_MASS: 148.08882
CH$SMILES: CCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: INCHIKEY FFSAXUULYPJSKH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047059

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$SPLASH: splash10-0a4i-4900000000-e14a1e958d58462d47ab
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.92 19
  39 1.09 11
  41 1.03 10
  43 1.01 10
  50 1 10
  51 12.3 123
  52 1.01 10
  76 1.04 10
  77 40.98 410
  78 3.88 39
  91 1 10
  105 99.99 999
  106 9.26 93
  120 9.67 97
  133 1.7 17
  147 1.14 11
  148 21.04 210
  149 2.46 25
//