MassBank Record: JP003317



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

ACCESSION: JP003317
RECORD_TITLE: DICYCLOHEXYL PHTHALATE; 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$NAME: DICYCLOHEXYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H26O4 CH$EXACT_MASS: 330.18311 CH$SMILES: C(C3)CCC(C3)OC(=O)c(c2)c(ccc2)C(=O)OC(C1)CCCC1 CH$IUPAC: InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
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$SPLASH: splash10-0002-3910000000-b8156f54b2afd210375a PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 50 1 10 53 1.2 12 54 19.7 197 55 1.5 15 56 1.8 18 65 2.2 22 67 6.2 62 76 0.2 2 77 1.3 13 79 1 10 81 2.5 25 82 0.51 5 83 11.1 111 84 0.8 8 93 1.8 18 99 0.24 2 105 1.6 16 121 1.8 18 122 2.3 23 123 0.08 1 149 99.99 999 150 18.9 189 151 1.8 18 167 5.89 59 168 5.1 51 169 0.8 8 225 1 10 231 0.18 2 232 1.2 12 249 13.9 139 250 2.3 23 331 0.7 7 //