ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008280
RECORD_TITLE: BUTYL GLYOXYLATE DIBUTYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL GLYOXYLATE DIBUTYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₄
CH$EXACT_MASS: 260.19876
CH$SMILES: CCCCOC(=O)C(OCCCC)OCCCC
CH$IUPAC: InChI=1S/C14H28O4/c1-4-7-10-16-13(15)14(17-11-8-5-2)18-12-9-6-3/h14H,4-12H2,1-3H3
CH$LINK: COMPTOX DTXSID50337873
CH$LINK: INCHIKEY LEQXXBBCRATLPW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:545227

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0a4i-9200000000-7e6a2ab44fe95091f1f0
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 4.22 42
  28 1.79 18
  29 25.08 251
  31 1.64 16
  39 2.65 27
  41 24.66 247
  42 1.6 16
  43 2.18 22
  47 1.78 18
  55 3.71 37
  56 6.15 62
  57 99.99 999
  58 6.84 68
  103 26.28 263
  104 1.55 16
  131 1.79 18
  159 17.97 180
  160 2.13 21
  187 0.59 6
  188 0.14 1
//