MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007152
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007152
RECORD_TITLE: ETHYLENEGLYCOL DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYLENEGLYCOL DIACETATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-be43eea8c0d799efc407
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
15 6.28 63
28 1.46 15
29 1.77 18
42 3.27 33
43 99.99 999
44 2.97 30
73 4.47 45
74 1.04 10
86 11.21 112
103 1.79 18
116 4.34 43
//