ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006074
RECORD_TITLE: TRIETHYLENE GLYCOL MONOMETHYL 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$NAME: TRIETHYLENE GLYCOL MONOMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O₄
CH$EXACT_MASS: 164.10486
CH$SMILES: COCCOCCOCCO
CH$IUPAC: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY JLGLQAWTXXGVEM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026912

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$SPLASH: splash10-0a4s-9000000000-4dd56e60ba4fd46d4c26
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 3.43 34
  31 4.51 45
  43 2.33 23
  44 9.03 90
  45 88.18 882
  58 51.91 519
  59 99.99 999
  60 4.37 44
  72 1.04 10
  73 1.45 15
  75 5.86 59
  76 1.18 12
  87 11.14 111
  88 12.14 121
  89 58.5 585
  90 3.74 37
  101 3.57 36
  102 8.75 88
  103 9.44 94
  119 7.62 76
  133 3.22 32
//