MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009020
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009020
RECORD_TITLE: ETHYL PYRUVATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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-80B
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-ceddbed69eabcd4ec028
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
15 7.6 76
26 1.92 19
27 10.77 108
29 17.16 172
42 5.28 53
43 99.99 999
44 3.08 31
45 2.12 21
61 1.23 12
116 1.36 14
//