ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001496
RECORD_TITLE: ISOPROPYL PROPIONATE; 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$NAME: ISOPROPYL PROPIONATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6u-9000000000-cd6b579eab50988149da
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 3.49 35
  26 2.18 22
  27 17.53 175
  28 4.51 45
  29 31.36 314
  30 1.05 11
  31 1.57 16
  39 4.95 50
  40 1.07 11
  41 14.61 146
  42 6.25 63
  43 57.07 571
  44 1.94 19
  45 4.01 40
  55 1.01 10
  56 1.44 14
  57 99.99 999
  58 3.72 37
  59 10.91 109
  73 1 10
  74 4.75 48
  75 29.37 294
  76 1.07 11
  101 10.39 104
  116 0.87 9
//