ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005924
RECORD_TITLE: BUTYL BUTYRATE; 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$NAME: BUTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY XUPYJHCZDLZNFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7041702

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$SPLASH: splash10-05g0-9000000000-909ad81987b43bcf251e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 1.06 11
  28 1.41 14
  29 6.53 65
  41 12.88 129
  42 1.41 14
  43 31.04 310
  44 1.06 11
  55 5.47 55
  56 68.96 690
  57 18.34 183
  60 10.76 108
  61 2.29 23
  70 1.06 11
  71 99.99 999
  72 4.94 49
  73 7.23 72
  88 7.76 78
  89 66.32 663
  90 3.17 32
  101 7.97 80
  115 1.06 11
  117 3 30
//