MassBank Record: JP003353



 TRIETHYLENE GLYCOL DI-2-ETHYLHEXANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003353
RECORD_TITLE: TRIETHYLENE GLYCOL DI-2-ETHYLHEXANOATE; 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$NAME: TRIETHYLENE GLYCOL DI-2-ETHYLHEXANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O6 CH$EXACT_MASS: 402.29814 CH$SMILES: CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC CH$IUPAC: InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
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$SPLASH: splash10-0ab9-9600000000-d2911f191bae6105d585 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 44 5.6 56 45 18 180 54 13.5 135 56 99.99 999 57 5.4 54 58 2.1 21 69 3.7 37 70 1.13 11 71 13.3 133 72 2.6 26 73 9.9 99 83 0.28 3 86 2.4 24 87 3.7 37 88 8 80 89 0.63 6 96 2.8 28 98 8.8 88 99 27.5 275 101 0.29 3 113 8.4 84 114 12.9 129 115 4.9 49 126 0.71 7 127 33 330 128 3.7 37 141 2.6 26 142 0.56 6 143 14.7 147 145 2.4 24 158 2.1 21 169 0.2 2 170 15.2 152 171 57 570 172 6.5 65 174 0.26 3 189 1.4 14 201 1.2 12 214 1.4 14 //