MassBank Record: JP001717



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

ACCESSION: JP001717
RECORD_TITLE: HEPTANEDIOIC ACID DIMETHYL ESTER; 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$NAME: HEPTANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL PIMELATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16O4 CH$EXACT_MASS: 188.10486 CH$SMILES: COC(=O)CCCCCC(=O)OC CH$IUPAC: InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
AC$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$SPLASH: splash10-06di-9700000000-a6b5b085961abdca19ca PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 28 9.37 94 44 0.77 8 55 35.06 351 59 26.8 268 68 18.72 187 69 37.09 371 71 0.43 4 73 34.58 346 74 66.82 668 83 47.67 477 87 18.81 188 96 5.59 56 97 25.9 259 100 8.74 87 105 1.55 16 111 14.1 141 114 6.04 60 115 99.99 999 116 3.6 36 124 23.48 235 125 28.49 285 128 33.28 333 129 3.69 37 141 1.45 15 149 2.8 28 156 7.91 79 157 35.85 359 //