ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006075
RECORD_TITLE: TRIETHYLENE GLYCOL MONOETHYL ETHER; 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$NAME: TRIETHYLENE GLYCOL MONOETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₄
CH$EXACT_MASS: 178.12051
CH$SMILES: CCOCCOCCOCCO
CH$IUPAC: InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY WFSMVVDJSNMRAR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024368

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$SPLASH: splash10-00ds-9100000000-6aac59cbc8247695b5fb
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  29 1.02 10
  43 3.11 31
  44 8.22 82
  45 99.99 999
  58 5.95 60
  59 43.18 432
  60 2.7 27
  72 70.61 706
  73 53.08 531
  74 2.2 22
  75 7.51 75
  76 3.26 33
  87 10.5 105
  88 17.1 171
  89 52.3 523
  90 2.6 26
  101 5.88 59
  102 2.81 28
  103 21.29 213
  104 1.55 16
  116 7.54 75
  117 5.2 52
  119 7.32 73
  178 0.86 9
//