ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001300
RECORD_TITLE: ACETIC ACID ISOPROPYL ESTER; 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$NAME: ACETIC ACID ISOPROPYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-87cf6b7c267ef6f5a0e6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  15 4.69 47
  27 5.42 54
  28 1.3 13
  29 1.13 11
  31 1.19 12
  39 3.73 37
  40 1.13 11
  41 11.58 116
  42 7.23 72
  43 99.99 999
  44 2.37 24
  45 3.05 31
  59 9.2 92
  61 20.44 204
  87 10.78 108
//