ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010918
RECORD_TITLE: METHYL 2,2-DIMETHOXYPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,2-DIMETHOXYPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₄
CH$EXACT_MASS: 148.07356
CH$SMILES: COC(=O)C(C)(OC)OC
CH$IUPAC: InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3
CH$LINK: INCHIKEY KHQQDBIXHUJARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60143503

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000l-9100000000-bc1e1cfadd1d90a5554f
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 1.1 11
  28 1.4 14
  29 2.4 24
  31 1.4 14
  42 1.7 17
  43 73.2 732
  44 1.6 16
  45 0.4 4
  47 11.7 117
  55 0.4 4
  57 18.9 189
  58 2.3 23
  59 3.6 36
  75 10.6 106
  85 15.5 155
  86 0.5 5
  87 2.4 24
  89 99.99 999
  90 4.9 49
  91 0.3 3
  117 44.6 446
  118 2.5 25
  133 2.8 28
//