ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011211
RECORD_TITLE: 3,4-DIMETHOXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3,4-DIMETHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₄
CH$EXACT_MASS: 182.05791
CH$SMILES: COc(c1)c(OC)cc(c1)C(O)=O
CH$IUPAC: InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY DAUAQNGYDSHRET-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059077

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-4900000000-cb469c325f86dcaebb63
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  39 1.8 18
  41 3.5 35
  43 1.9 19
  45 1.4 14
  53 2 20
  55 4.7 47
  59 1.4 14
  65 7.9 79
  67 3.7 37
  68 3.5 35
  69 2 20
  77 18.6 186
  78 1.7 17
  79 5.8 58
  81 3.6 36
  92 1.5 15
  93 7.3 73
  94 1.9 19
  95 11.1 111
  96 5 50
  107 3.4 34
  109 1.9 19
  111 16.9 169
  119 1.6 16
  121 13.4 134
  122 2.2 22
  125 1.6 16
  137 1.7 17
  139 5.9 59
  149 3.1 31
  165 5.7 57
  166 1.7 17
  167 22.9 229
  168 2.4 24
  182 99.99 999
  183 9.5 95
  184 1.4 14
//