ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001196
RECORD_TITLE: ISOPROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CC(C)OC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
CH$LINK: INCHIKEY JMMWKPVZQRWMSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025478

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0006-9000000000-a998f74f45633babc275
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  14 1 10
  15 7 70
  16 1 10
  17 0.7 7
  26 1 10
  27 8 80
  28 15 150
  29 2 20
  31 0.6 6
  32 1 10
  39 5.5 55
  40 1 10
  41 1.25 13
  42 8 80
  43 99.99 999
  44 8 80
  45 0.4 4
  59 12 120
  60 1 10
  61 22 220
  71 0.1 1
  74 1 10
  87 12 120
//