MassBank Record: JP001741



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

ACCESSION: JP001741
RECORD_TITLE: OCTANEDIOIC ACID DIHEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: OCTANEDIOIC ACID DIHEXYL ESTER CH$NAME: DIHEXYL SUBERATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H38O4 CH$EXACT_MASS: 342.27701 CH$SMILES: CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C20H38O4/c1-3-5-7-13-17-23-19(21)15-11-9-10-12-16-20(22)24-18-14-8-6-4-2/h3-18H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-5940000000-73bbd707f7d1c555c7b8 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 42 7.59 76 43 33.65 337 56 19.37 194 57 7.4 74 69 13.11 131 70 2.64 26 71 1.39 14 73 4.19 42 82 3.72 37 83 10.78 108 84 21.4 214 85 11.37 114 87 4.24 42 97 15.81 158 98 2.04 20 101 1.88 19 110 3.53 35 111 15.06 151 112 3.32 33 115 44.85 449 116 1.57 16 128 2.31 23 129 17.98 180 130 4.58 46 138 24.95 250 139 15.35 154 140 1.71 17 141 0.26 3 156 2.49 25 157 78.01 780 158 7.29 73 199 17.88 179 200 1.84 18 213 3.49 35 214 3.71 37 240 1.92 19 241 99.99 999 242 15.6 156 259 2.52 25 //