ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001793
RECORD_TITLE: ISOBUTYL 3-METHOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL 3-METHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: COc(c1)cc(cc1)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-5-4-6-11(7-10)14-3/h4-7,9H,8H2,1-3H3
CH$LINK: INCHIKEY YMOAQFMEIBYZJW-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0f79-4900000000-e30125d95f5f68b2c043
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 5.67 57
  29 10.68 107
  38 2.54 25
  39 6.01 60
  41 10.81 108
  43 3 30
  50 3.27 33
  51 2.2 22
  53 1.74 17
  55 1.4 14
  56 4.34 43
  57 3.6 36
  62 1.4 14
  63 7.21 72
  64 9.68 97
  65 2.6 26
  75 1.34 13
  76 3.67 37
  77 19.36 194
  78 2.67 27
  92 16.15 162
  93 1.34 13
  105 1.47 15
  107 20.63 206
  108 3.4 34
  109 1.87 19
  135 99.99 999
  136 10.08 101
  137 1.2 12
  152 73.77 738
  153 8.01 80
  154 1 10
  165 1.27 13
  208 16.29 163
  209 2.14 21
//