ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006391
RECORD_TITLE: ISOPROPYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY IJMWOMHMDSDKGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060927

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6u-9000000000-1b0dedc2fda09e192985
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 2.43 24
  26 2.99 30
  27 19.45 195
  28 4.37 44
  29 28.73 287
  31 1.39 14
  39 7.18 72
  41 17.05 171
  42 6.62 66
  43 60.85 609
  44 2.42 24
  45 3.71 37
  55 1.11 11
  56 1.11 11
  57 99.99 999
  58 3.14 31
  59 10.01 100
  74 3.76 38
  75 27.67 277
  101 9.82 98
//