MassBank Record: JP001760



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

ACCESSION: JP001760
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER; CI-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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER CH$NAME: METHYLHEXYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H20O4 CH$EXACT_MASS: 264.13616 CH$SMILES: CCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C15H20O4/c1-3-4-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-2/h6-7,9-10H,3-5,8,11H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-03xr-0940000000-89750ab41b1bd5725599 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 61 0.27 3 63 0.3 3 66 0.22 2 68 0.21 2 71 1.05 11 79 0.75 8 81 0.23 2 83 1.75 18 84 1.82 18 85 5.66 57 86 0.53 5 91 0.29 3 92 0.6 6 95 0.19 2 97 0.2 2 99 0.4 4 100 0.21 2 101 0.47 5 105 0.98 10 109 0.1 1 121 0.22 2 123 0.57 6 133 1.28 13 135 1.11 11 136 0.42 4 137 1.17 12 147 0.46 5 149 40.92 409 150 3.8 38 151 0.74 7 163 99.99 999 164 10.57 106 165 3.44 34 166 0.15 2 175 0.19 2 177 0.33 3 181 4.55 46 182 0.32 3 189 1.15 12 195 0.16 2 205 0.41 4 207 0.21 2 221 0.42 4 233 13.35 134 234 2.05 21 235 0.43 4 264 0.12 1 265 52.55 526 266 12.04 120 267 1.2 12 279 0.19 2 //