ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006922
RECORD_TITLE: 1-PHENYLETHYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 1-PHENYLETHYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CCC(=O)OC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
CH$LINK: INCHIKEY WCIQNYOXLZQQMU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047091
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$SPLASH: splash10-0pdi-7900000000-4d55059169fcb8fc7c47
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  26 2.26 23
  27 21.32 213
  28 4.26 43
  29 40.09 401
  39 6.93 69
  43 13.31 133
  50 5.34 53
  51 18.28 183
  52 3.38 34
  53 1.76 18
  57 67.66 677
  58 1.7 17
  62 1 10
  63 3.11 31
  65 2.28 23
  74 1.18 12
  75 1.89 19
  76 1.84 18
  77 36.62 366
  78 18.19 182
  79 18.36 184
  89 1.39 14
  91 1.33 13
  102 1.99 20
  103 17.34 173
  104 86.04 860
  105 99.99 999
  106 7.7 77
  107 8.72 87
  121 5.89 59
  122 70.59 706
  123 5.69 57
  178 15.96 160
  179 1.4 14
//
