ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011215
RECORD_TITLE: 3,5-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$NAME: 3,5-DIMETHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₄
CH$EXACT_MASS: 182.05791
CH$SMILES: COc(c1)cc(C(O)=O)cc(OC)1
CH$IUPAC: InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY IWPZKOJSYQZABD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061550

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$SPLASH: splash10-001i-2900000000-e526a9cd037dd49841c8
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39 2.4 24
  41 3.3 33
  43 2 20
  52 1.5 15
  53 2.6 26
  55 3.1 31
  59 1.3 13
  65 5.5 55
  66 2.1 21
  67 1.3 13
  68 2.5 25
  69 4.1 41
  77 8.4 84
  78 3.3 33
  79 6.9 69
  80 1.4 14
  81 3.9 39
  92 1.9 19
  93 1.7 17
  94 7.2 72
  95 4.2 42
  96 3.5 35
  105 7.9 79
  106 2.1 21
  107 11 110
  108 2.6 26
  109 20.5 205
  110 1.5 15
  111 8.9 89
  122 9 90
  123 1.8 18
  135 21.9 219
  136 2.5 25
  137 6.1 61
  139 3.9 39
  151 5.3 53
  152 8.6 86
  153 1.7 17
  165 5.2 52
  181 2.4 24
  182 99.99 999
  183 10.1 101
  184 1.3 13
//