ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002637
RECORD_TITLE: 3,4-DIMETHOXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 3,4-DIMETHOXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O4
CH$EXACT_MASS: 196.07356
CH$SMILES: COC(=O)c(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3
CH$LINK: INCHIKEY BIGQPYZPEWAPBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1062207
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-1090-9600000000-51f92cb03d3c8d95f148
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  50 40.7 407
  51 96.9 969
  52 18 180
  53 3.03 30
  59 85.8 858
  62 19.6 196
  63 38.6 386
  64 1.75 18
  65 27.5 275
  66 20.3 203
  69 16.4 164
  75 1.82 18
  76 28.9 289
  77 31 310
  78 16.6 166
  79 99.99 999
  80 15.9 159
  81 18.9 189
  91 32.4 324
  92 4 40
  93 37.9 379
  94 64.5 645
  95 23.3 233
  107 4.81 48
  109 24.3 243
  110 14.3 143
  119 42.1 421
  120 2.08 21
  121 68.9 689
  122 65.7 657
  123 24.3 243
  125 6.8 68
  135 23.1 231
  136 23.8 238
  137 24.7 247
  138 1.99 20
  149 40.2 402
  151 15 150
  153 29.3 293
  165 4.09 41
  166 75.9 759
  181 19.9 199
  196 42.8 428
  197 17.1 171
//
