ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001521
RECORD_TITLE: ISOPROPYL ACETATE; 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$NAME: ISOPROPYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-cd0710af23181a83e352
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  14 1.21 12
  15 7.68 77
  27 6.83 68
  29 1.58 16
  31 1.9 19
  39 4.52 45
  40 1.21 12
  41 11.51 115
  42 6.71 67
  43 99.99 999
  44 2.59 26
  45 3.72 37
  59 10.06 101
  61 25.13 251
  87 13.74 137
  102 0.89 9
//