ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006252
RECORD_TITLE: ACETONE DIMETHYL ACETAL; 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$NAME: ACETONE DIMETHYL ACETAL
CH$NAME: 2,2-DIMETHOXYPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₂
CH$EXACT_MASS: 104.08373
CH$SMILES: COC(C)(C)OC
CH$IUPAC: InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
CH$LINK: CAS 77-76-9
CH$LINK: INCHIKEY HEWZVZIVELJPQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026441

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-002f-9000000000-ecbb65eb87d35715a7f9
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  12 1.69 17
  13 4.86 49
  14 17.64 176
  15 65 650
  16 1.3 13
  17 1.81 18
  18 3.13 31
  19 1.75 18
  25 2.51 25
  26 15.75 158
  27 64.25 643
  28 13.43 134
  29 69.24 692
  30 7.49 75
  31 64.25 643
  32 21.44 214
  33 5.11 51
  36 0.83 8
  37 7.06 71
  38 12.73 127
  39 53.61 536
  40 16.7 167
  41 64.22 642
  42 99.99 999
  43 29.76 298
  44 1.23 12
  45 8.03 80
  46 2.59 26
  47 0.79 8
  53 0.84 8
  54 0.22 2
  55 1.56 16
  56 0.64 6
  57 5.32 53
  58 0.63 6
  72 36.53 365
  73 9.63 96
  74 0.49 5
  89 1.55 16
//