ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000306
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-7900000000-0e09d5ec067423297708
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  27 7.9 79
  28 3.9 39
  38 0.2 2
  39 5.7 57
  41 9.8 98
  42 2.7 27
  43 1.78 18
  50 6.8 68
  51 20.9 209
  52 1.6 16
  59 2.51 25
  60 1 10
  74 1.6 16
  75 1.4 14
  76 0.3 3
  77 41.8 418
  78 5.2 52
  79 4.3 43
  115 99.99 999
  116 11.3 113
  117 2.2 22
  146 2 20
  149 0.23 2
  164 16.7 167
  165 21 210
//