ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005930
RECORD_TITLE: PENTYL BUTYRATE; 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$NAME: PENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY CFNJLPHOBMVMNS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041604

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-9000000000-9983d3bae455366d38f6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 4.64 46
  42 23.84 238
  43 53.64 536
  44 1.66 17
  55 19.87 199
  56 1.32 13
  57 1.32 13
  60 9.27 93
  61 2.98 30
  69 6.62 66
  70 89.41 894
  71 99.99 999
  72 4.3 43
  73 5.63 56
  85 1.99 20
  86 2.65 27
  87 1.32 13
  88 81.13 811
  89 3.97 40
  101 5.63 56
  102 0.99 10
  115 2.65 27
  131 1.99 20
//