ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001823
RECORD_TITLE: LACTIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: LACTIC ACID BUTYL ESTER
CH$NAME: BUTYL 2-HYDROXYPROPANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₃
CH$EXACT_MASS: 146.09429
CH$SMILES: CCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
CH$LINK: INCHIKEY MRABAEUHTLLEML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7042196

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0002-9000000000-e4eacc0f272d55fc90b8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1 10
  19 1.64 16
  26 1.37 14
  27 11.03 110
  28 7.02 70
  29 20.51 205
  31 5.93 59
  39 3.65 37
  41 24.07 241
  42 3.46 35
  43 13.22 132
  44 2.73 27
  45 99.99 999
  46 2.01 20
  55 3.28 33
  56 12.94 129
  57 13.04 130
  74 4.83 48
  75 2.64 26
  85 1.82 18
  89 3.37 34
//