ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008558
RECORD_TITLE: METHYL 3-PHENYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3-PHENYLPROPIONATE
CH$NAME: 3-PHENYLPROPIONIC ACID METHYL ESTER
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0udl-9800000000-ef5836e3dba1d1460b3b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 9.02 90
  27 7.71 77
  28 1.05 11
  29 2.93 29
  31 1.11 11
  38 1.21 12
  39 10.04 100
  41 1.27 13
  42 2.57 26
  50 5.32 53
  51 16.27 163
  52 3.21 32
  53 1.5 15
  55 1.58 16
  59 3.33 33
  62 1.24 12
  63 4.42 44
  64 1 10
  65 10.37 104
  74 1.57 16
  75 1.32 13
  76 1.64 16
  77 19.7 197
  78 14.64 146
  79 10.82 108
  89 2.2 22
  90 1.06 11
  91 64.29 643
  92 4.13 41
  102 1.7 17
  103 11.53 115
  104 99.99 999
  105 34.7 347
  106 2.09 21
  107 4.2 42
  131 1.72 17
  133 8.81 88
  164 23.92 239
  165 1.97 20
//