ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006970
RECORD_TITLE: PENTYL 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$NAME: PENTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY UYGGIIOLYXRSQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5074341

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$SPLASH: splash10-006x-9000000000-0a88a24520975daafc0c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  18 1.99 20
  26 1 10
  27 18.55 186
  28 3.35 34
  29 12.89 129
  31 1.03 10
  39 9.56 96
  40 1.86 19
  41 27.61 276
  42 17.67 177
  43 99.99 999
  44 3.04 30
  45 1.18 12
  55 13.17 132
  56 1.6 16
  57 1.52 15
  69 3.85 39
  70 34.03 340
  71 50.64 506
  72 2.02 20
  73 1.98 20
  85 1.15 12
  88 1.54 15
  89 45.34 453
  90 2.08 21
  101 1.97 20
  115 1.15 12
//