MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001519
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001519
RECORD_TITLE: ETHYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-f48a6e770df57144ce33
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
14 0.33 3
15 1.41 14
26 0.27 3
27 1.07 11
28 0.28 3
29 1.74 17
31 0.13 1
42 0.59 6
43 99.99 999
44 0.27 3
45 1.42 14
61 1.09 11
70 0.98 10
73 0.38 4
88 0.51 5
//