ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004242
RECORD_TITLE: 3-METHYLPHENYLACETIC 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$NAME: 3-METHYLPHENYLACETIC ACID METHYL ESTER
CH$NAME: 3-TOLYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)7-10(11)12-2/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY AWTKFTNNPQGGLX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30408656
AC$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-3900000000-3c5e644eb1534d9d0c1a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 5.6 56
  50 1.8 18
  51 5.8 58
  52 0.18 2
  53 1.8 18
  59 4.2 42
  62 0.8 8
  63 0.32 3
  65 2.6 26
  77 13.9 139
  78 5.8 58
  79 1.01 10
  89 0.8 8
  91 2.1 21
  103 8.2 82
  104 0.53 5
  105 99.99 999
  106 10.4 104
  133 0.8 8
  164 3.12 31
  165 3.4 34
//
