ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008485
RECORD_TITLE: 1-METHYLETHYL BENZOATE; 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$NAME: 1-METHYLETHYL BENZOATE
CH$NAME: ISOPROPYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(C)OC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
CH$LINK: INCHIKEY FEXQDZTYJVXMOS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9044746

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$SPLASH: splash10-0a4i-7900000000-6d9cfab68ff440cc7b25
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.23 12
  27 7.73 77
  32 1.22 12
  39 6.49 65
  41 9.68 97
  42 2.42 24
  43 15.86 159
  50 6.77 68
  51 20.96 210
  52 1.43 14
  59 19.61 196
  74 1.75 18
  75 1.45 15
  76 2.78 28
  77 41.66 417
  78 4.44 44
  79 2.9 29
  105 99.99 999
  106 11.32 113
  122 18.46 185
  123 27.76 278
  124 2.01 20
  146 1.02 10
  149 1.76 18
  164 11.89 119
  165 1.22 12
//