MassBank Record: JP003393



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

ACCESSION: JP003393
RECORD_TITLE: DIBUTOXYETHOXYETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA MUNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTOXYETHOXYETHYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O8 CH$EXACT_MASS: 434.28797 CH$SMILES: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC CH$IUPAC: InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3 CH$LINK: INCHIKEY SCABKEBYDRTODC-UHFFFAOYSA-N
AC$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-9200000000-a57be660ec537332b733 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 44 14.5 145 45 80.9 809 46 2.2 22 54 20 200 55 38.1 381 56 99.99 999 57 5.8 58 58 1.04 10 59 3.1 31 69 2 20 71 7.1 71 72 2.17 22 73 13.2 132 75 10.5 105 83 6.7 67 84 0.5 5 85 17.8 178 86 2.6 26 87 10.9 109 88 0.39 4 89 16.7 167 99 11.4 114 100 19.9 199 101 2.26 23 111 12.7 127 112 2.4 24 113 2.7 27 115 0.26 3 129 5.5 55 131 4 40 143 3.3 33 144 0.61 6 145 11.9 119 149 2.3 23 155 11.7 117 157 0.44 4 159 2 20 161 3.9 39 163 8.8 88 173 1.51 15 174 2 20 185 2 20 187 2.8 28 201 0.37 4 217 16.7 167 218 2.2 22 250 0.2 2 255 3.7 37 261 8.7 87 273 5.3 53 317 8.2 82 435 2 20 //