ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002211
RECORD_TITLE: ALPHA-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$NAME: ALPHA-PHENYLPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: INCHIKEY DZIQUZJSNSZOCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50953496

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$SPLASH: splash10-0a4i-2900000000-65a5be1d1341a3fe58be
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  50 2.2 22
  51 4.5 45
  52 1.4 14
  63 0.17 2
  70 8.7 87
  77 10.8 108
  78 3.1 31
  79 1.17 12
  103 7.5 75
  104 4.3 43
  105 99.99 999
  106 0.92 9
  164 19.6 196
  165 2.4 24
//