ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006072
RECORD_TITLE: TRIETHYLENE GLYCOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: TRIETHYLENE GLYCOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₄
CH$EXACT_MASS: 150.08921
CH$SMILES: OCCOCCOCCO
CH$IUPAC: InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
CH$LINK: INCHIKEY ZIBGPFATKBEMQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021393

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9000000000-356b5618f2119c31fc04
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43 1.93 19
  44 7.32 73
  45 99.99 999
  46 2.08 21
  58 19.57 196
  59 6.75 68
  60 1.22 12
  61 1.04 10
  75 14.97 150
  87 6.98 70
  88 7 70
  89 29.3 293
  90 8.52 85
  101 2.57 26
  102 2.85 29
  119 4.94 49
  150 0.31 3
//