MassBank Record: JP001718



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

ACCESSION: JP001718
RECORD_TITLE: HEPTANEDIOIC ACID DIMETHYL ESTER; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL PIMELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O4 CH$EXACT_MASS: 188.10486 CH$SMILES: COC(=O)CCCCCC(=O)OC CH$IUPAC: InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3 CH$LINK: INCHIKEY SHWINQXIGSEZAP-UHFFFAOYSA-N
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: splash10-0a4r-1900000000-402465d842ec9b9beded PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 66 2.51 25 67 5.3 53 69 3.52 35 70 0.88 9 71 2.3 23 73 2.84 28 81 1.72 17 83 0.77 8 125 2.25 23 157 99.99 999 158 9.16 92 189 58.77 588 190 5.57 56 //