MassBank Record: JP002623



 3,3-DIMETHYLGLUTARIC ACID DIMETHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002623
RECORD_TITLE: 3,3-DIMETHYLGLUTARIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 3,3-DIMETHYLGLUTARIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O4 CH$EXACT_MASS: 188.10486 CH$SMILES: COC(=O)CC(C)(C)CC(=O)OC CH$IUPAC: InChI=1S/C9H16O4/c1-9(2,5-7(10)12-3)6-8(11)13-4/h5-6H2,1-4H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-060r-9400000000-96c136a2cf1c2810d74f PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 41 3.1 31 42 11.6 116 44 3.2 32 53 0.56 6 55 43.4 434 56 10.6 106 59 29.8 298 68 0.32 3 69 14.5 145 71 3.4 34 73 99.99 999 74 2.79 28 81 5.8 58 82 5.8 58 83 60 600 87 0.65 7 96 6.7 67 97 9.1 91 109 9.4 94 113 1.33 13 114 7.7 77 115 68.6 686 116 4.4 44 128 4.08 41 129 12.9 129 141 21.3 213 156 15.8 158 157 4.63 46 158 3.2 32 //