ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006971
RECORD_TITLE: ISOPENTYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CC(C)CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY VFTGLSWXJMRZNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0062131

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$SPLASH: splash10-006x-9000000000-f52f38a23e150d10c7c8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.15 12
  27 18.62 186
  28 4.66 47
  29 8.46 85
  39 10.33 103
  40 1.64 16
  41 28.79 288
  42 13.03 130
  43 99.99 999
  44 3.11 31
  45 1.51 15
  53 1.34 13
  55 24.3 243
  56 1.64 16
  57 1.74 17
  69 3.63 36
  70 66.38 664
  71 56.51 565
  72 2.06 21
  73 1.25 13
  85 1.13 11
  88 1.08 11
  89 11.5 115
  101 1.51 15
  115 2.66 27
//