MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006184
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006184
RECORD_TITLE: ETHYLENE GLYCOL DIACETATE; 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$NAME: ETHYLENE GLYCOL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O4
CH$EXACT_MASS: 146.05791
CH$SMILES: CC(=O)OCCOC(C)=O
CH$IUPAC: InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
CH$LINK: INCHIKEY
JTXMVXSTHSMVQF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026880
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$SPLASH: splash10-000i-9200000000-b86706dd907134bafd90
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
86 4.41 44
87 99.99 999
88 11.24 112
89 1.36 14
103 1.03 10
105 1.44 14
116 1.08 11
147 24.86 249
148 1.73 17
//