MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005870
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005870
RECORD_TITLE: PYRUVIC ACID ETHYL ESTER; 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$NAME: PYRUVIC ACID ETHYL ESTER
CH$NAME: 2-OXOPROPANOIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O3
CH$EXACT_MASS: 116.04734
CH$SMILES: CCOC(=O)C(C)=O
CH$IUPAC: InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
CH$LINK: INCHIKEY
XXRCUYVCPSWGCC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2060674
AC$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: splash10-0006-9000000000-6b9687c0790faebef406
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
14 2.08 21
15 10.19 102
26 1.32 13
27 9.06 91
28 2.83 28
29 21.7 217
31 1.13 11
42 3.96 40
43 99.99 999
44 2.64 26
45 4.15 42
57 1.13 11
61 1.51 15
73 1.32 13
116 3.02 30
//
system version 2.2.6-SNAPSHOT