MassBank Record: JP003351



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

ACCESSION: JP003351
RECORD_TITLE: DIPROPYLENE 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$NAME: DIPROPYLENE GLYCOL DIBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H22O5 CH$EXACT_MASS: 342.14672 CH$SMILES: CC(COC(=O)c(c2)cccc2)OC(C)COC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C20H22O5/c1-15(13-23-19(21)17-9-5-3-6-10-17)25-16(2)14-24-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
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$SPLASH: splash10-0bt9-2900000000-3eed2c6b9167329c7716 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 45 3.8 38 51 7.2 72 57 5.5 55 58 12.3 123 72 4.1 41 77 32.1 321 78 2.6 26 103 0.35 4 105 99.99 999 106 9.3 93 116 2.3 23 122 0.54 5 123 8.1 81 163 84.5 845 164 9.5 95 194 0.53 5 207 8.1 81 208 1.3 13 220 3.1 31 //