ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002270
RECORD_TITLE: 1-PHENYL-3-OCTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1-PHENYL-3-OCTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O
CH$EXACT_MASS: 204.15142
CH$SMILES: CCCCCC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
CH$LINK: INCHIKEY PMMNDSRSUDQZCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50465069

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9400000000-1878c561a8c244284d9d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 23.22 232
  42 5.27 53
  43 99.99 999
  44 5.12 51
  51 11.61 116
  55 16.28 163
  65 12.51 125
  71 47.2 472
  77 21.26 213
  78 9.8 98
  79 10.4 104
  80 16.13 161
  81 18.7 187
  82 5.58 56
  91 98.34 983
  92 10.55 106
  99 40.42 404
  103 16.13 161
  104 32.12 321
  105 78.12 781
  106 8.59 86
  130 26.24 262
  131 19.6 196
  133 30.92 309
  146 7.54 75
  148 21.11 211
  204 11.01 110
//