ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008510
RECORD_TITLE: ETHYL 4-METHOXYBENZOATE; 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$NAME: ETHYL 4-METHOXYBENZOATE
CH$NAME: ETHYL ANISATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CCOC(=O)c(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY FHUODBDRWMIBQP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059099

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$SPLASH: splash10-000i-3900000000-83ce4033728cb10b804b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 3.06 31
  29 2.61 26
  38 1.58 16
  39 1.17 12
  50 2.38 24
  51 1.73 17
  53 1.01 10
  62 1.14 11
  63 6.57 66
  64 8.17 82
  65 1.77 18
  74 1.12 11
  75 1.21 12
  76 2 20
  77 14.45 145
  78 1.25 13
  92 13.15 132
  107 6.72 67
  108 1.21 12
  135 99.99 999
  136 12.08 121
  152 16.63 166
  153 1.39 14
  165 1.61 16
  180 26.81 268
  181 2.7 27
//