ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006183
RECORD_TITLE: ETHYLENE GLYCOL MONOACETATE; CI-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$NAME: ETHYLENE GLYCOL MONOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₃
CH$EXACT_MASS: 104.04734
CH$SMILES: OCCOC(C)=O
CH$IUPAC: InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
CH$LINK: INCHIKEY HXDLWJWIAHWIKI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10862156

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4r-5900000000-2d59b991779037b7d447
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  72 1.27 13
  74 2.61 26
  85 1.59 16
  87 61.04 610
  88 2.7 27
  105 99.99 999
  106 5.93 59
//