ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008998
RECORD_TITLE: METHYL ORTHO-METHOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL ORTHO-METHOXYBENZOATE
CH$NAME: METHYL 2-METHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COC(=O)c(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
CH$LINK: CAS 606-45-1
CH$LINK: INCHIKEY PFYHAAAQPNMZHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047087

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-002r-8900000000-57666b6c4d6c08c15eee
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 10.01 100
  27 1.43 14
  29 5.68 57
  30 1.5 15
  31 1.36 14
  37 1.52 15
  38 7.27 73
  39 5.8 58
  45 2.29 23
  50 10.36 104
  51 14.35 144
  52 1.82 18
  53 3.3 33
  59 2.1 21
  61 1.33 13
  62 3.42 34
  63 17.33 173
  64 16.1 161
  65 2.86 29
  74 2.85 29
  75 2.25 23
  76 7.02 70
  77 57.93 579
  78 5.36 54
  79 6.45 65
  91 2.7 27
  92 27.62 276
  93 2.43 24
  95 1.27 13
  104 1.51 15
  105 17.66 177
  106 2.33 23
  107 2.66 27
  120 3.48 35
  121 2.06 21
  133 38.58 386
  134 7.5 75
  135 99.99 999
  136 9.27 93
  137 8.77 88
  151 1.69 17
  166 29.46 295
  167 2.43 24
//