ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005299
RECORD_TITLE: ETHYL ISOVALERATE; 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$NAME: ETHYL ISOVALERATE
CH$NAME: 3-METHYLBUTANOIC ACID ETHYL ESTER
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: INCHIKEY PPXUHEORWJQRHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047057

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002r-9000000000-2e5a458a237911c47c6a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 4.17 42
  26 2.14 21
  27 24.77 248
  28 4.69 47
  29 67.12 671
  30 1.39 14
  31 1.85 19
  38 1.1 11
  39 14.68 147
  40 2.55 26
  41 37.12 371
  42 8.58 86
  43 22.96 230
  44 1.33 13
  45 18.45 185
  53 1.27 13
  55 5.56 56
  56 7.19 72
  57 62.3 623
  58 2.9 29
  59 13.57 136
  60 43.45 435
  61 24.31 243
  69 3.54 35
  70 15.72 157
  71 1.22 12
  73 6.26 63
  85 68.08 681
  86 4 40
  87 12.29 123
  88 99.99 999
  89 4.87 49
  101 1.39 14
  103 4.23 42
  115 10.32 103
  130 4.93 49
//