MassBank Record: JP002928



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

ACCESSION: JP002928
RECORD_TITLE: DIMETHYL GLUTACONATE; 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$NAME: DIMETHYL GLUTACONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H10O4 CH$EXACT_MASS: 158.05791 CH$SMILES: COC(=O)CC=CC(=O)OC CH$IUPAC: InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+
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: splash10-0690-9200000000-476c976ceffe8650e9a5 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 14 2.12 21 15 92.9 929 26 2.65 27 27 9.67 97 28 3.24 32 29 23.05 231 31 3.66 37 37 2.72 27 38 8.81 88 39 49.74 497 40 28.25 283 41 35.55 356 42 6.81 68 43 5.05 51 45 9.68 97 53 7.32 73 54 4.9 49 55 27.72 277 56 3.19 32 59 99.99 999 60 3.07 31 67 9.68 97 68 15.79 158 69 40.64 406 70 2.5 25 71 18.51 185 72 2.6 26 77 2.03 20 82 4.8 48 83 10.07 101 95 3.81 38 98 5.59 56 99 49.59 496 100 4.42 44 101 2.39 24 113 18.07 181 126 45.58 456 127 65.27 653 128 5.81 58 130 8.23 82 143 5.64 56 158 7.66 77 //