ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002212
RECORD_TITLE: 3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0udl-5900000000-bf39f462c471652299ef
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  50 4.4 44
  51 9.7 97
  52 3.2 32
  53 0.17 2
  55 0.8 8
  62 1.1 11
  63 3.5 35
  64 0.11 1
  65 8.8 88
  66 0.8 8
  75 1.4 14
  76 0.17 2
  77 14.7 147
  78 10.6 106
  79 10.6 106
  87 0.08 1
  89 2.3 23
  90 0.8 8
  91 59.2 592
  92 0.53 5
  93 0.8 8
  102 1.7 17
  103 10.9 109
  104 99.99 999
  105 33.3 333
  106 2.9 29
  107 4.7 47
  121 0.14 1
  131 2.9 29
  132 2 20
  133 10.9 109
  134 0.11 1
  136 1.1 11
  164 33.3 333
  165 3.8 38
//