MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011299
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011299
RECORD_TITLE: ETHYL PYRUVATE; 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$NAME: ETHYL PYRUVATE
CH$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$LINK: CAS
617-35-6
CH$LINK: INCHIKEY
XXRCUYVCPSWGCC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2060674
AC$INSTRUMENT: HITACHI M-2500
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: splash10-0006-9000000000-980c9b02bf8c3edc429d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
14 2.37 24
15 8.62 86
26 3.61 36
27 14.56 146
28 2.26 23
29 18.32 183
30 1.24 12
31 4.56 46
39 2.07 21
40 1.1 11
41 1.23 12
42 6.73 67
43 99.99 999
44 3.4 34
45 3.96 40
61 4.01 40
68 2.17 22
73 1.73 17
89 2.39 24
116 1.64 16
117 1.37 14
//