ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004943
RECORD_TITLE: ETHYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: CAS 108-64-5
CH$LINK: INCHIKEY PPXUHEORWJQRHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047057

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-000i-9000000000-131dee797c5fc67efffb
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  40 22.87 229
  42 11.53 115
  43 29.99 300
  44 1.6 16
  45 19.2 192
  53 1.05 11
  55 5.59 56
  56 8.71 87
  57 66.79 668
  58 2.84 28
  59 13.69 137
  60 47.89 479
  61 26.98 270
  69 4.35 44
  70 20.3 203
  71 1.59 16
  73 9.07 91
  83 1.2 12
  84 1.04 10
  85 78.31 783
  86 4.6 46
  87 14.12 141
  88 99.99 999
  89 5.14 51
  101 1.39 14
  103 4.69 47
  115 10.33 103
  130 1.65 17
//