ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008051
RECORD_TITLE: BUTYRIC ACID ISOBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BUTYRIC ACID ISOBUTYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-9000000000-89a8fa52be9941be8e10
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 1.03 10
  29 3.67 37
  41 7.6 76
  42 1.49 15
  43 29.82 298
  44 1.26 13
  55 1.61 16
  56 49.54 495
  57 20.76 208
  58 1.15 12
  60 5.73 57
  70 1.72 17
  71 99.99 999
  72 4.7 47
  73 3.67 37
  88 4.24 42
  89 17.89 179
  90 1.03 10
  101 7.11 71
  114 2.29 23
  116 1.72 17
//