ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008560
RECORD_TITLE: 2-METHYLBUTYL BUTYRATE; 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$NAME: 2-METHYLBUTYL BUTYRATE
CH$NAME: BUTYRIC ACID 2-METHYLBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(=O)OCC(C)CC
CH$IUPAC: InChI=1S/C9H18O2/c1-4-6-9(10)11-7-8(3)5-2/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY MBZKQDXXFMITAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80866181
AC$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: splash10-00dl-9000000000-a1dedd594d776b76155e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 13.97 140
  29 11.85 119
  39 8.28 83
  41 20.44 204
  42 12.11 121
  43 53.68 537
  44 1.74 17
  45 1.78 18
  55 14.13 141
  56 3.17 32
  60 2.95 30
  69 1.46 15
  70 45.93 459
  71 99.99 999
  72 4.25 43
  73 1.93 19
  85 2.12 21
  87 1.73 17
  88 3.28 33
  89 6.46 65
  100 1.5 15
  101 5.47 55
//
