MassBank Record: JP003383



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

ACCESSION: JP003383
RECORD_TITLE: DIMETHYL ADIPATE; 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$NAME: DIMETHYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H14O4 CH$EXACT_MASS: 174.08921 CH$SMILES: COC(=O)CCCCC(=O)OC CH$IUPAC: InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0kfx-8900000000-55876dab8f079343657f PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 46 8.5 85 53 6.7 67 54 62.1 621 55 8.5 85 56 3.8 38 57 2.7 27 58 77.7 777 59 0.25 3 68 3.8 38 69 8.3 83 71 6.7 67 72 0.83 8 73 33.3 333 74 45.7 457 75 2 20 81 0.24 2 82 11.5 115 83 33.6 336 84 3.3 33 87 1.21 12 88 3.6 36 97 9.2 92 99 2.4 24 100 0.39 4 101 53.8 538 102 3.8 38 110 3.2 32 111 5.53 55 112 4.1 41 113 4.1 41 114 71.2 712 115 2.52 25 129 2 20 142 43.4 434 143 99.99 999 144 0.94 9 175 69.6 696 176 5.5 55 //