MassBank Record: JP002909



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

ACCESSION: JP002909
RECORD_TITLE: DIMETHYL GLUTARATE; 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$NAME: DIMETHYL GLUTARATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O4 CH$EXACT_MASS: 160.07356 CH$SMILES: COC(=O)CCCC(=O)OC CH$IUPAC: InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
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: splash10-0pdi-9400000000-d39ac7b9772bf85371e4 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 15 51.48 515 18 3.87 39 27 9.28 93 29 12.14 121 31 4.24 42 39 9.62 96 40 2.27 23 41 21.6 216 42 28.02 280 43 17.53 175 45 4.43 44 55 46.09 461 56 3.9 39 58 8.71 87 59 99.99 999 60 3.47 35 68 2.44 24 69 4.36 44 70 2.34 23 72 5.45 55 74 9.61 96 85 3.35 34 87 15.91 159 97 8.56 86 100 58.46 585 101 43.53 435 102 2.31 23 128 32.75 328 129 54.84 548 130 4.56 46 //