MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002346
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002346
RECORD_TITLE: ETHYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9000000000-4950ee9233400dc5bfe6
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
42 5.15 52
43 99.99 999
44 1.36 14
45 15.2 152
60 1.04 10
61 15.29 153
70 10.09 101
73 4.47 45
88 5.39 54
//