MassBank Record: JP003352



 TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003352
RECORD_TITLE: TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE; 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$NAME: TRIETHYLENE GLYCOL DI-3-ETHYLBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H34O6 CH$EXACT_MASS: 346.23554 CH$SMILES: CCC(C)CC(=O)OCCOCCOCCOC(=O)CC(C)CC CH$IUPAC: InChI=1S/C18H34O6/c1-5-15(3)13-17(19)23-11-9-21-7-8-22-10-12-24-18(20)14-16(4)6-2/h15-16H,5-14H2,1-4H3
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$SPLASH: splash10-0006-9300000000-e0e85d2cea0dd8e4e7b9 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 43 95.3 953 44 6.3 63 45 23.5 235 53 0.28 3 54 17 170 56 3.7 37 57 3.7 37 69 0.53 5 70 9.5 95 71 99.99 999 72 5.3 53 73 0.91 9 86 4.8 48 87 2 20 88 3.6 36 89 0.3 3 98 7.8 78 99 53.3 533 100 3.8 38 101 0.2 2 113 8.8 88 114 3.5 35 115 3 30 127 0.62 6 142 19.8 198 143 96.6 966 144 9 90 173 0.17 2 186 1.6 16 //