MassBank Record: JP001761



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

ACCESSION: JP001761
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER CH$NAME: METHYLOCTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H24O4 CH$EXACT_MASS: 292.16746 CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C17H24O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h8-9,11-12H,3-7,10,13H2,1-2H3
AC$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$SPLASH: splash10-03dj-3900000000-9785fcc4035668f03959 PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 4 2.88 29 29 2.97 30 39 0.36 4 41 5.02 50 42 2.4 24 43 5.97 60 44 0.4 4 54 1.17 12 55 11.72 117 56 12.23 122 57 8.59 86 58 0.22 2 65 0.54 5 67 0.79 8 68 1.7 17 69 8.43 84 70 10.96 110 71 4.61 46 72 0.19 2 76 1.05 11 77 9.31 93 78 0.81 8 79 1.13 11 81 0.29 3 82 1.25 13 83 6.2 62 84 5.29 53 85 0.46 5 91 4.15 42 92 10.13 101 93 1.71 17 97 0.67 7 104 4.55 46 105 9.24 92 106 1.04 10 107 0.18 2 108 0.18 2 109 0.49 5 110 0.13 1 111 0.44 4 112 3.76 38 113 0.65 7 118 0.72 7 119 0.24 2 120 1.32 13 121 1.65 17 122 1.14 11 123 2.61 26 132 1.41 14 133 3.48 35 134 0.65 7 135 10.37 104 136 5.66 57 137 0.59 6 147 2.87 29 149 91.57 916 150 16.6 166 151 1.96 20 152 0.12 1 163 99.99 999 164 30.2 302 165 3.58 36 166 0.22 2 176 0.77 8 177 0.11 1 179 0.17 2 181 41.24 412 182 4.68 47 183 0.65 7 207 0.21 2 208 0.89 9 221 0.13 1 233 0.38 4 249 0.31 3 261 1.74 17 262 0.26 3 293 8.73 87 295 1.2 12 296 0.16 2 //