MassBank Record: JP001720



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

ACCESSION: JP001720
RECORD_TITLE: OCTANEDIOIC 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$NAME: OCTANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL SUBERATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O4 CH$EXACT_MASS: 202.12051 CH$SMILES: COC(=O)CCCCCCC(=O)OC CH$IUPAC: InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
AC$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$SPLASH: splash10-0fk9-1970000000-a39a7600ee5ad331942a PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 63 3.59 36 66 0.47 5 67 2.39 24 69 1.55 16 70 0.23 2 73 0.54 5 79 3.52 35 81 2.34 23 83 5.55 56 137 1.85 19 171 99.99 999 172 8.34 83 203 82.32 823 204 8.4 84 //