ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006968
RECORD_TITLE: BUTYL 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$NAME: BUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY JSLCOZYBKYHZNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9073888

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$SPLASH: splash10-052f-9000000000-ddfd71ef6bb2b00f9175
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.76 18
  26 2.26 23
  27 32.21 322
  28 10.85 109
  29 35.4 354
  31 2.06 21
  38 1.01 10
  39 16.74 167
  40 2.59 26
  41 58.02 580
  42 9.07 91
  43 99.99 999
  44 3.07 31
  45 1.34 13
  55 8.62 86
  56 43.65 437
  57 41.56 416
  58 1.72 17
  70 1.04 10
  71 77.96 780
  72 3.27 33
  73 5.55 56
  88 2.57 26
  89 60.04 600
  90 2.21 22
  101 3.91 39
//