ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006969
RECORD_TITLE: ISOBUTYL ISOBUTYRATE; 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$NAME: ISOBUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CC(C)COC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY RXGUIWHIADMCFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026612
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$SPLASH: splash10-0596-9000000000-cc0e2f654a9c0d39e1ad
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 1.52 15
  26 1.35 14
  27 21.71 217
  28 3.98 40
  29 19.76 198
  31 1.57 16
  39 15.87 159
  40 2.42 24
  41 45.44 454
  42 8.92 89
  43 91.71 917
  44 3.24 32
  55 4.3 43
  56 45.68 457
  57 38.49 385
  58 1.41 14
  70 2.18 22
  71 99.99 999
  72 4.66 47
  73 4.51 45
  88 1.65 17
  89 24.48 245
  90 1.09 11
  101 6.42 64
//
