ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006521
RECORD_TITLE: BUTYL ISOPENTANOATE; 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$NAME: BUTYL ISOPENTANOATE
CH$NAME: BUTYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY AYWJSCLAAPJZEF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047621

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$SPLASH: splash10-0a4u-9000000000-8dd1d91769ff865eda84
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 2.25 23
  26 1.89 19
  27 31.83 318
  29 55.94 559
  30 1.25 13
  31 2.56 26
  39 24.71 247
  41 77.56 776
  42 15.09 151
  43 26.24 262
  44 1.19 12
  45 5.1 51
  53 1.6 16
  55 12.72 127
  56 91.42 914
  57 99.99 999
  58 4.32 43
  59 7.17 72
  60 30.95 310
  61 13.02 130
  69 2.39 24
  73 1.29 13
  85 92.22 922
  86 5.42 54
  87 17.71 177
  101 2.72 27
  102 2.87 29
  103 50.44 504
  104 2.29 23
  115 1.73 17
  116 3.04 30
//