ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007186
RECORD_TITLE: ISOBUTYL VALERATE; 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$NAME: ISOBUTYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY ADNADZOSMJDVIS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1065134

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$SPLASH: splash10-0a4r-9000000000-6390059d2cbbf6e2230e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 14.78 148
  29 28.3 283
  31 1.72 17
  39 11.28 113
  41 38.29 383
  42 5.64 56
  43 8.29 83
  53 1.07 11
  55 7.09 71
  56 54.14 541
  57 73.74 737
  58 3.13 31
  60 12.68 127
  61 1.51 15
  73 8.42 84
  85 99.99 999
  86 7.11 71
  87 1.35 14
  102 2.28 23
  103 20.97 210
  104 1.1 11
  115 3.13 31
  116 2 20
  128 1.41 14
//