ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011080
RECORD_TITLE: METHYL 3,4-DIMETHOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,4-DIMETHOXYBENZOATE
CH$NAME: METHYL VERTRATE
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: CAS 2150-38-1
CH$LINK: INCHIKEY BIGQPYZPEWAPBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1062207

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00kb-2900000000-de6ba98d0e6b9f366bb2
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 6 60
  18 1.71 17
  29 1.47 15
  31 1.03 10
  39 1.53 15
  50 3.24 32
  51 8.02 80
  52 1.59 16
  53 2.2 22
  59 5.91 59
  62 1.83 18
  63 3.62 36
  64 1.34 13
  65 2.43 24
  66 2.1 21
  75 1.09 11
  76 2.73 27
  77 7.81 78
  78 1.42 14
  79 13.29 133
  80 1.72 17
  91 2.41 24
  93 3.63 36
  94 5.65 57
  95 2.65 27
  104 1.25 13
  105 1.15 12
  107 5.18 52
  108 1.04 10
  109 1.63 16
  110 1.41 14
  119 4.03 40
  120 2.38 24
  121 6.53 65
  122 6.09 61
  123 2.79 28
  125 9.22 92
  135 2.07 21
  136 2.45 25
  137 5.73 57
  138 1.63 16
  149 3.14 31
  151 2.7 27
  153 3.77 38
  165 76.81 768
  166 7.86 79
  181 8.86 89
  182 1.03 10
  196 99.99 999
  197 11.25 113
  198 1.35 14
//