ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005905
RECORD_TITLE: ISOPROPYL BENZOATE; 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$NAME: ISOPROPYL BENZOATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ab9-3900000000-f971f61e9c220deededf
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 1.05 11
  41 2.63 26
  42 2.11 21
  43 12.89 129
  45 1.32 13
  59 35.79 358
  60 1.32 13
  77 15.53 155
  78 3.16 32
  79 3.16 32
  105 99.99 999
  106 12.89 129
  107 1.32 13
  119 1.05 11
  122 28.95 290
  123 46.05 461
  124 3.95 40
  146 1.84 18
  149 3.42 34
  164 26.32 263
  165 3.42 34
//