ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009771
RECORD_TITLE: METHYL 3-PHENYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3-PHENYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY RPUSRLKKXPQSGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059271

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0udl-5900000000-73becd76a83f69a5aad9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 2.5 25
  27 11 110
  31 2.7 27
  39 0.36 4
  50 2.4 24
  51 8.4 84
  52 2 20
  55 0.12 1
  59 1.8 18
  63 2.4 24
  65 6.4 64
  77 1.14 11
  78 9.1 91
  79 7.3 73
  91 63.7 637
  92 0.58 6
  102 1.4 14
  103 8.4 84
  104 99.99 999
  105 3.75 38
  106 3 30
  107 4.3 43
  131 3 30
  132 0.16 2
  133 13.6 136
  134 1.4 14
  164 46.7 467
  165 5.4 54
//