MassBank Record: JP001706



 1,2-BENZENEDICARBOXYLIC ACID DECYL OCTYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001706
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DECYL OCTYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DECYL OCTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H42O4 CH$EXACT_MASS: 418.30831 CH$SMILES: c(c1C(=O)OCCCCCCCCCC)(cccc1)C(=O)OCCCCCCCC CH$IUPAC: InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
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: splash10-0002-9800000000-cb4fac9141a0a8f4efd2 PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 27 2.8 28 29 8.39 84 39 1.63 16 40 0.3 3 41 15.73 157 42 4.96 50 43 25.23 252 50 0.39 4 53 0.51 5 54 1.33 13 55 13.4 134 56 6.83 68 57 20.97 210 58 0.89 9 65 1.16 12 66 0.15 2 67 1.2 12 68 1.38 14 69 7.05 71 70 4.56 46 71 10.52 105 72 0.65 7 76 1.72 17 77 0.81 8 79 0.15 2 81 0.56 6 82 1.07 11 83 3.93 39 84 2.61 26 85 4.08 41 86 0.17 2 93 1.04 10 95 0.13 1 97 1.58 16 98 0.63 6 99 0.61 6 104 2.44 24 105 1.66 17 111 0.69 7 112 1.93 19 113 1 10 121 1.46 15 122 1.18 12 123 1.6 16 132 0.46 5 133 0.43 4 135 0.1 1 140 0.88 9 141 0.94 9 147 0.14 1 149 99.99 999 150 16.03 160 151 1.85 19 167 3.4 34 168 0.27 3 176 0.32 3 261 1.71 17 262 0.62 6 279 6 60 280 1.05 11 281 0.11 1 289 0.89 9 290 0.3 3 307 4.77 48 308 0.99 10 417 0.27 3 418 0.32 3 //