MassBank Record: JP003320



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

ACCESSION: JP003320
RECORD_TITLE: DIBUTOXYETHYL 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$NAME: DIBUTOXYETHYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H30O6 CH$EXACT_MASS: 366.20424 CH$SMILES: CCCCOCCOC(=O)c(c1)c(ccc1)C(=O)OCCOCCCC CH$IUPAC: InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
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$SPLASH: splash10-0a4j-9500000000-ed7c5aef16b4502c6d22 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 44 8.1 81 45 82 820 50 2.9 29 54 10.5 105 55 88.7 887 56 99.99 999 57 4 40 58 0.32 3 62 4.7 47 65 3.5 35 66 3.5 35 71 0.26 3 72 3 30 73 2.9 29 76 7.6 76 77 0.29 3 83 3.2 32 85 42.9 429 86 2.6 26 88 0.27 3 93 2.6 26 100 29.6 296 101 48.3 483 102 0.37 4 104 11.8 118 105 5.8 58 117 8.3 83 119 0.35 4 121 2.6 26 132 8.7 87 133 11 110 148 0.48 5 149 57.9 579 150 6 60 163 2.6 26 176 1.92 19 177 4.5 45 193 27.3 273 194 4.8 48 249 1.23 12 250 4.8 48 293 2.6 26 294 10 100 295 0.19 2 367 1.4 14 //