ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006498
RECORD_TITLE: ISOBUTYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL BUTYRATE
CH$NAME: 2-METHYLPROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY RGFNRWTWDWVHDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047557

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$SPLASH: splash10-05fu-9000000000-caf15cc81f8fd2a7531f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.52 15
  26 1.11 11
  27 19.78 198
  28 2.73 27
  29 14.24 142
  31 1.5 15
  39 11.92 119
  40 1.61 16
  41 29.5 295
  42 8.2 82
  43 51.56 516
  44 1.69 17
  45 1.09 11
  55 3.53 35
  56 38.28 383
  57 19.67 197
  60 5.74 57
  70 1.4 14
  71 99.99 999
  72 4.9 49
  73 6.02 60
  88 2.83 28
  89 14.72 147
  101 5.8 58
  114 1.4 14
//