ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001290
RECORD_TITLE: 1,4,7-TRIMETHYL-3,6-DIOXAOCTANE-1,8-DIOL; 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$NAME: 1,4,7-TRIMETHYL-3,6-DIOXAOCTANE-1,8-DIOL
CH$NAME: TRIPROPYLENE GLYCOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H20O4
CH$EXACT_MASS: 192.13616
CH$SMILES: OCC(C)OCC(C)OCC(C)O
CH$IUPAC: InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3
CH$LINK: INCHIKEY LCZVSXRMYJUNFX-UHFFFAOYSA-N
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$SPLASH: splash10-0a4i-9000000000-79aca2cf931627b945ac
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 1.14 11
  27 1.99 20
  28 1.34 13
  29 2.85 29
  31 15.03 150
  39 1.64 16
  41 11.61 116
  42 5.84 58
  43 5.7 57
  45 15.38 154
  57 5.2 52
  58 4.34 43
  59 99.99 999
  60 3.21 32
  72 1 10
  73 1.14 11
  103 9.47 95
  104 1.07 11
  117 4.63 46
//
