ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009230
RECORD_TITLE: BUTYL BUTYRYLLACTATE; 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$NAME: BUTYL BUTYRYLLACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: CCCCOC(=O)C(C)OC(=O)CCC
CH$IUPAC: InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY NORZZKKLCYMBBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3044831

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$SPLASH: splash10-00di-9000000000-2c1d76adf09dcd7c622a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 9.3 93
  29 8 80
  39 3.2 32
  41 1.43 14
  42 4.2 42
  43 33 330
  44 1.1 11
  45 0.48 5
  55 2.7 27
  56 3.5 35
  57 9 90
  70 0.18 2
  71 99.99 999
  72 5.5 55
  73 1.3 13
  115 1.23 12
  116 1.2 12
  143 2.8 28
  172 2.4 24
//