ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011772
RECORD_TITLE: TETRAPROPOXYMETHANE; 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$NAME: TETRAPROPOXYMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₄
CH$EXACT_MASS: 248.19876
CH$SMILES: CCCOC(OCCC)(OCCC)OCCC
CH$IUPAC: InChI=1S/C13H28O4/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4/h5-12H2,1-4H3
CH$LINK: INCHIKEY LFMXSZSVDQJYDU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30338328

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-06rf-9700000000-03c15dc78feeee303cac
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 18.13 181
  29 8.86 89
  30 1.44 14
  31 8.25 83
  39 4.95 50
  40 1.17 12
  41 25.11 251
  42 8.41 84
  43 86.48 865
  44 3.07 31
  59 7.63 76
  61 1.23 12
  63 88.93 889
  64 1.18 12
  76 2.68 27
  104 1.27 13
  105 67.03 670
  106 3.08 31
  147 24.47 245
  148 1.93 19
  189 99.99 999
  190 11.61 116
  191 1.42 14
//