ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002958
RECORD_TITLE: BUTYL GLYOXYLATE DIBUTYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY LEQXXBBCRATLPW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50337873

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9200000000-84a451132d538ebc261f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  27 4.22 42
  29 25.08 251
  39 2.65 27
  41 24.66 247
  43 2.18 22
  55 3.71 37
  56 6.15 62
  57 99.99 999
  58 6.84 68
  103 26.28 263
  159 17.97 180
  160 2.13 21
//