MassBank Record: JP001709



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

ACCESSION: JP001709
RECORD_TITLE: DECANEDIOIC ACID DIMETHYL ESTER; CI-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$NAME: DECANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL SEBACATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O4 CH$EXACT_MASS: 230.15181 CH$SMILES: COC(=O)CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-000t-0970000000-4946405b0c410750f5db PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 69 0.43 4 73 0.57 6 74 0.97 10 81 0.44 4 83 0.98 10 84 0.53 5 85 0.46 5 87 0.39 4 97 0.87 9 98 0.91 9 125 0.73 7 137 0.41 4 138 0.42 4 139 0.75 8 157 0.76 8 165 2.82 28 166 0.64 6 171 2.93 29 173 0.23 2 197 2.54 25 198 0.78 8 199 99.99 999 200 11.8 118 201 1.18 12 231 72.89 729 232 10.14 101 233 1.27 13 271 0.33 3 //