MassBank Record: JP002908



 DIMETHYL-2-METHYL SUCCINATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002908
RECORD_TITLE: DIMETHYL-2-METHYL SUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL-2-METHYL SUCCINATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O4 CH$EXACT_MASS: 160.07356 CH$SMILES: COC(=O)CC(C)C(=O)OC CH$IUPAC: InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-9300000000-4c5a1299cb5676a07c76 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 15 33.51 335 27 5.23 52 29 9.54 95 31 2.17 22 39 6.62 66 40 2.34 23 41 17.93 179 42 10.54 105 43 6.07 61 45 2.42 24 55 6.55 66 56 2.07 21 58 2.15 22 59 99.99 999 60 3.44 34 69 13.64 136 74 5.63 56 87 11.05 111 100 17.08 171 101 20.41 204 128 21.31 213 129 35.46 355 130 2.68 27 //