MassBank Record: JP001764



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

ACCESSION: JP001764
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DECYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DECYL METHYLESTER CH$NAME: METHYLDECYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H28O4 CH$EXACT_MASS: 320.19876 CH$SMILES: CCCCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C19H28O4/c1-3-4-5-6-7-8-9-12-15-23-19(21)17-14-11-10-13-16(17)18(20)22-2/h10-11,13-14H,3-9,12,15H2,1-2H3
AC$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$SPLASH: splash10-03ka-1903000000-1729095167ab4ec92339 PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 61 0.1 1 63 0.2 2 65 0.29 3 66 0.3 3 67 0.87 9 68 0.42 4 69 2.34 23 70 1.02 10 71 4.53 45 72 0.23 2 77 0.11 1 78 0.38 4 79 0.77 8 81 0.11 1 82 1.2 12 83 5.2 52 84 0.67 7 85 4.38 44 86 0.45 5 91 0.33 3 92 0.72 7 97 1.74 17 98 0.38 4 99 1.48 15 104 0.3 3 105 1.4 14 107 0.31 3 109 0.2 2 111 0.6 6 112 0.25 3 113 0.46 5 121 0.44 4 123 1.15 12 127 0.16 2 133 1.9 19 135 1.87 19 136 0.51 5 137 1.68 17 139 0.62 6 140 1.21 12 141 3.18 32 142 0.33 3 145 0.18 2 147 0.78 8 149 58.5 585 150 5.24 52 151 1.1 11 157 0.46 5 161 0.29 3 163 99.99 999 164 11.89 119 165 4.1 41 166 0.29 3 175 0.31 3 177 0.49 5 179 0.11 1 181 7.11 71 182 0.63 6 189 1.11 11 191 0.22 2 195 0.28 3 205 0.13 1 221 0.59 6 223 0.16 2 261 0.36 4 263 0.31 3 289 6.24 62 290 1.16 12 291 0.5 5 293 0.78 8 319 0.56 6 321 65.55 656 322 13.59 136 323 1.93 19 324 0.16 2 361 0.24 2 //