ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005874
RECORD_TITLE: PROPYLENE GLYCOL DIACETATE; 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$NAME: PROPYLENE GLYCOL DIACETATE
CH$NAME: 1,2-DIACETHOXYPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₄
CH$EXACT_MASS: 160.07356
CH$SMILES: CC(=O)OCC(C)OC(C)=O
CH$IUPAC: InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
CH$LINK: INCHIKEY MLHOXUWWKVQEJB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9044827

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-9c9bfe824be08f2b0b28
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 5.39 54
  27 1.25 13
  28 2.67 27
  29 1.15 12
  31 1.06 11
  39 1.15 12
  41 1.35 14
  42 1.92 19
  43 99.99 999
  44 2.5 25
  45 2.31 23
  58 3.27 33
  73 2.31 23
  74 1.54 15
  86 3.75 38
  87 10.49 105
  100 5.1 51
  103 1.15 12
  116 5 50
  117 2.02 20
//