ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010381
RECORD_TITLE: (3,4-DIMETHOXYPHENYL)ACETIC 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$NAME: (3,4-DIMETHOXYPHENYL)ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.07356
CH$SMILES: COc(c1)c(OC)cc(CC(O)=O)c1
CH$IUPAC: InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
CH$LINK: INCHIKEY WUAXWQRULBZETB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059086

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0zmm-8900000000-293e74b0bdba71f58686
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  41 16.4 164
  42 10.1 101
  43 50.9 509
  44 0.95 10
  45 10.1 101
  46 1.8 18
  53 1.2 12
  54 0.24 2
  55 21.7 217
  56 20.8 208
  57 24.7 247
  58 2.38 24
  59 6.6 66
  60 18.8 188
  61 1.2 12
  65 0.2 2
  66 1 10
  67 4.5 45
  68 3.6 36
  69 1.49 15
  70 13.9 139
  71 17.9 179
  72 4.8 48
  73 0.8 8
  74 3 30
  77 5.4 54
  78 2.5 25
  79 0.39 4
  80 1 10
  81 7.4 74
  82 7.4 74
  83 0.95 10
  84 8.9 89
  85 12.2 122
  86 2.7 27
  87 0.24 2
  90 1.3 13
  91 34.2 342
  92 3.6 36
  93 0.15 2
  94 2.1 21
  95 5.7 57
  96 4.5 45
  97 0.57 6
  98 5.1 51
  99 6.5 65
  100 2.1 21
  101 0.13 1
  103 1.4 14
  104 1.3 13
  105 3.9 39
  106 0.42 4
  107 8.9 89
  108 3.6 36
  109 4.8 48
  110 0.33 3
  111 5.4 54
  112 2.4 24
  113 2.1 21
  114 0.12 1
  115 1 10
  118 2.6 26
  119 3.9 39
  120 0.21 2
  121 74.4 744
  122 6.8 68
  123 1.8 18
  124 0.17 2
  125 1.7 17
  126 1.3 13
  127 1.6 16
  134 0.1 1
  135 5.4 54
  136 1.8 18
  137 2.4 24
  138 0.1 1
  139 1.8 18
  140 1 10
  141 2.4 24
  148 0.14 1
  149 6.5 65
  150 1.2 12
  151 99.99 999
  152 1.04 10
  153 1.6 16
  164 12.2 122
  165 2.7 27
  166 2.68 27
  167 3.9 39
  168 1.8 18
  169 1 10
  188 0.24 2
  189 1.8 18
  190 1.5 15
  191 9.2 92
  192 0.11 1
  196 67 670
  197 7 70
  198 1.2 12
//