MassBank Record: JP003350



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

ACCESSION: JP003350
RECORD_TITLE: DIETHYLENE GLYCOL DIBENZOATE; 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$NAME: DIETHYLENE GLYCOL DIBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18O5 CH$EXACT_MASS: 314.11542 CH$SMILES: O(CCOC(=O)c(c2)cccc2)CCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
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$SPLASH: splash10-0a6s-7900000000-1966e58505abff004ce3 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 45 23 230 50 5.3 53 51 15.8 158 56 3 30 57 8.2 82 70 2.2 22 73 4.7 47 74 0.2 2 75 2.1 21 76 3.3 33 77 65.5 655 78 0.53 5 88 15.6 156 91 2.5 25 105 99.99 999 106 1.16 12 122 17.1 171 123 11.9 119 149 29.9 299 150 0.51 5 180 9.6 96 181 1.2 12 185 1.6 16 192 0.12 1 194 1.1 11 //