MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009077
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009077
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL PYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O3
CH$EXACT_MASS: 130.06299
CH$SMILES: CC(C)OC(=O)C(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-4(2)9-6(8)5(3)7/h4H,1-3H3
CH$LINK: INCHIKEY
WUBJISGMPZWFKY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20433351
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$SPLASH: splash10-0006-9000000000-a24ff788bb55ab4f0cc4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
14 1.23 12
15 6.62 66
27 12.03 120
29 2.29 23
39 5.72 57
41 21.17 212
42 4.45 45
43 99.99 999
44 3.26 33
45 1.57 16
59 1.27 13
71 1.64 16
87 2.09 21
//