ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002271
RECORD_TITLE: 3-BENZYL-2-HEPTANONE; 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$NAME: 3-BENZYL-2-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O
CH$EXACT_MASS: 204.15142
CH$SMILES: CCCCC(C(C)=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O/c1-3-4-10-14(12(2)15)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
CH$LINK: INCHIKEY DQQOAEDWHZWPBO-UHFFFAOYSA-N
AC$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: splash10-0005-7900000000-2fabac8b7786a1c2d99e
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  41 6.66 67
  43 34.67 347
  51 1.85 19
  55 3.69 37
  57 1.62 16
  65 7.19 72
  71 2.28 23
  77 3.24 32
  78 2.63 26
  79 1.59 16
  85 2.28 23
  91 96.12 961
  92 9.55 96
  103 2.03 20
  104 5.13 51
  105 13.08 131
  115 3.38 34
  117 6.75 68
  119 2.82 28
  129 6.74 67
  133 3.54 35
  143 1.55 16
  147 99.99 999
  148 43.76 438
  149 4.74 47
  161 4.13 41
  189 2.24 22
  204 6.63 66
//
