MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001797
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001797
RECORD_TITLE: ACETIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID ETHYL ESTER
CH$NAME: ETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O2
CH$EXACT_MASS: 88.05243
CH$SMILES: CCOC(C)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
CH$LINK: INCHIKEY
XEKOWRVHYACXOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022001
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0006-9000000000-4fbfd506d2d6d053e57f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
15 5.72 57
27 6.9 69
29 15.78 158
42 5.13 51
43 99.99 999
44 3.45 35
45 14.5 145
61 13.81 138
70 8.78 88
73 4.24 42
88 3.25 33
//