ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006539
RECORD_TITLE: 1-PHENYLETHYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-PHENYLETHYL HEXANOATE
CH$NAME: METHYLPHENYLCARBINYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCCCC(=O)OC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-3-4-6-11-14(15)16-12(2)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3
CH$LINK: INCHIKEY XDNXTDFSRYCZFT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50956104
AC$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: splash10-0pk9-5900000000-0872a292f4dfc6dad86d
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 12.3 123
  29 9.47 95
  39 6.09 61
  41 10.58 106
  42 3.64 36
  43 26.18 262
  50 2.41 24
  51 7.04 70
  52 1.98 20
  53 1.49 15
  55 3.59 36
  63 1.66 17
  65 1.21 12
  69 1.3 13
  71 10.33 103
  77 22.26 223
  78 13.76 138
  79 12.74 127
  91 1.31 13
  99 16.41 164
  100 1.02 10
  102 1.52 15
  103 13.17 132
  104 70.17 702
  105 99.99 999
  106 7.44 74
  107 3.58 36
  115 1.92 19
  121 4.26 43
  122 75.06 751
  123 5 50
  220 3.43 34
//
