MassBank Record: JP001703



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

ACCESSION: JP001703
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H34O4 CH$EXACT_MASS: 362.24571 CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCC CH$IUPAC: InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
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: splash10-0002-7910000000-7b6caf0156770b1288d6 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 27 3.21 32 29 7.38 74 39 1.69 17 41 12.82 128 42 4.82 48 43 25.54 255 44 0.19 2 50 0.32 3 53 0.3 3 54 0.8 8 55 8.47 85 56 5.94 59 57 10.34 103 58 0.41 4 65 1.41 14 67 0.71 7 68 0.49 5 69 3.82 38 70 2.22 22 71 5.42 54 76 2.06 21 77 0.7 7 82 0.47 5 83 1.65 17 84 2.83 28 85 2.93 29 93 1.26 13 97 0.34 3 104 2.41 24 105 1.65 17 112 0.82 8 113 0.66 7 121 1.63 16 122 1.27 13 123 1.38 14 132 0.44 4 133 0.28 3 147 0.18 2 148 0.25 3 149 99.99 999 150 13.38 134 151 1.36 14 167 2.42 24 168 0.12 1 176 0.28 3 233 2.26 23 234 0.58 6 251 6.1 61 252 0.97 10 261 1.06 11 262 0.24 2 279 3.42 34 280 0.59 6 362 0.27 3 363 0.16 2 //