ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006974
RECORD_TITLE: 1,3-DIMETHYLBUTYL 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$NAME: 1,3-DIMETHYLBUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CC(C)CC(C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-7(2)6-9(5)12-10(11)8(3)4/h7-9H,6H2,1-5H3
CH$LINK: INCHIKEY KOTIQBSLRXNDQH-UHFFFAOYSA-N
AC$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: splash10-006x-9000000000-d52f9874f8640dde8883
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 13.41 134
  29 5.37 54
  39 8.78 88
  40 1.23 12
  41 27.11 271
  42 8.74 87
  43 99.99 999
  44 3.48 35
  45 7.29 73
  55 5.41 54
  56 2.49 25
  57 9 90
  69 21.77 218
  70 1.54 15
  71 74.2 742
  72 2.61 26
  83 1.05 11
  84 25.24 252
  85 35.47 355
  86 1.98 20
  89 5.64 56
  115 11.01 110
//
