ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011219
RECORD_TITLE: 2,6-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$NAME: 2,6-DIMETHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₄
CH$EXACT_MASS: 182.05791
CH$SMILES: COc(c1)c(C(O)=O)c(OC)cc1
CH$IUPAC: InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY MBIZFBDREVRUHY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4046999

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$SPLASH: splash10-05q0-4900000000-8fa93aa71c0727319dfb
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  39 9.4 94
  40 2.2 22
  41 6.6 66
  43 3.7 37
  44 3.7 37
  45 1.8 18
  50 1.7 17
  51 5.2 52
  52 6.5 65
  53 4.7 47
  55 6.1 61
  59 1.9 19
  63 1.7 17
  64 4.1 41
  65 21 210
  66 4 40
  67 2.9 29
  68 5 50
  69 4.4 44
  76 33.6 336
  77 34 340
  78 21.9 219
  79 36.6 366
  80 5.8 58
  81 5.4 54
  82 1.7 17
  90 16.1 161
  91 9.8 98
  92 15 150
  93 9.1 91
  94 21.2 212
  95 6.5 65
  96 3.3 33
  104 12.2 122
  105 57.9 579
  106 23.4 234
  107 82.4 824
  108 16.4 164
  109 7.6 76
  111 1.7 17
  118 39.9 399
  119 42.5 425
  120 5.2 52
  121 17.6 176
  122 15.8 158
  123 12.2 122
  124 1.9 19
  132 2.1 21
  133 8.7 87
  134 5.5 55
  135 84.3 843
  136 57.8 578
  137 11 110
  138 4 40
  145 2.3 23
  149 11 110
  150 19.4 194
  151 9.9 99
  163 6.3 63
  164 28.2 282
  165 4.8 48
  166 5.4 54
  182 99.99 999
  183 10.5 105
  184 1.7 17
//