ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008509
RECORD_TITLE: METHYL 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$NAME: METHYL 4-METHOXYBENZOATE
CH$NAME: METHYL ANISATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
CH$LINK: INCHIKEY DDIZAANNODHTRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047645

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$SPLASH: splash10-000i-4900000000-d64fd9a65666e73ced8a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.2 22
  29 2.16 22
  38 2.31 23
  39 1.3 13
  50 2.92 29
  51 2.04 20
  53 1.06 11
  62 1.64 16
  63 8.21 82
  64 8.45 85
  65 1.12 11
  74 1.64 16
  75 1.53 15
  76 2.37 24
  77 16.62 166
  78 1.28 13
  79 1.11 11
  92 14.88 149
  107 8.04 80
  123 1.23 12
  135 99.99 999
  136 10.31 103
  165 1.27 13
  166 39.28 393
  167 3.56 36
//