ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007150
RECORD_TITLE: PENTYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL PHENYL KETONE
CH$NAME: HEXANOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O
CH$EXACT_MASS: 176.12012
CH$SMILES: CCCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
CH$LINK: CAS 942-92-7
CH$LINK: INCHIKEY MAHPVQDVMLWUAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061335

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0adi-5900000000-3544c4df248702359c39
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 7.56 76
  29 5.34 53
  39 3.92 39
  41 4.13 41
  42 1.08 11
  43 3.01 30
  50 3.07 31
  51 14.55 146
  52 1.12 11
  55 2.93 29
  76 1.84 18
  77 50.49 505
  78 7.53 75
  91 1.75 18
  105 99.99 999
  106 7.69 77
  120 54.17 542
  121 4.09 41
  133 4.01 40
  176 5.18 52
//