ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004241
RECORD_TITLE: 2-PHENOXYPROPIONIC 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$NAME: 2-PHENOXYPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: COC(=O)C(C)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-8(10(11)12-2)13-9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: INCHIKEY KIBRBMKSBVQDMK-UHFFFAOYSA-N
AC$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: splash10-00di-8900000000-122d9e3a285a57e3de10
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38 1.4 14
  39 11.3 113
  43 2.8 28
  50 0.28 3
  51 13.2 132
  55 4.7 47
  59 6.1 61
  63 0.18 2
  65 8.9 89
  66 5.1 51
  77 38.6 386
  78 0.33 3
  91 4.2 42
  93 13.6 136
  94 30.1 301
  103 0.18 2
  121 99.99 999
  122 8 80
  180 32 320
  181 2.8 28
//
