MassBank Record: JP001756



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

ACCESSION: JP001756
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BUTYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BUTYL METHYLESTER CH$NAME: METHYLBUTYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H16O4 CH$EXACT_MASS: 236.10486 CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
AC$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$SPLASH: splash10-03dr-0940000000-f17f358811a04d0416df PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 63 0.3 3 64 0.21 2 65 0.78 8 66 0.41 4 74 0.28 3 75 0.56 6 76 1.04 10 77 0.73 7 78 0.53 5 91 1.25 13 92 4.43 44 93 2.59 26 94 0.41 4 104 1.26 13 105 4.64 46 106 0.49 5 107 0.9 9 108 6.4 64 112 15.29 153 115 0.14 1 116 0.12 1 117 0.12 1 118 0.22 2 119 0.42 4 120 0.67 7 121 0.77 8 122 0.38 4 123 0.46 5 129 0.2 2 131 0.45 5 132 0.29 3 133 2.53 25 134 0.35 4 135 2.75 28 136 0.88 9 137 0.89 9 138 0.12 1 139 0.11 1 142 0.14 1 143 0.72 7 144 0.14 1 145 1.4 14 146 2.1 21 149 52.7 527 150 6.75 68 151 0.91 9 152 0.1 1 155 0.14 1 158 1.91 19 160 1.23 12 163 99.99 999 164 34.11 341 165 6.89 69 166 0.48 5 167 0.1 1 173 0.14 1 175 0.66 7 177 5.07 51 178 0.76 8 179 0.47 5 180 0.1 1 181 8.57 86 182 0.91 9 183 0.16 2 187 0.77 8 188 0.13 1 189 4.26 43 190 0.56 6 191 0.38 4 193 0.19 2 195 0.13 1 201 0.13 1 203 0.48 5 205 39.44 394 206 10.94 109 207 1.55 16 208 0.22 2 221 0.73 7 223 0.18 2 235 1.04 10 237 66.36 664 238 24.82 248 239 3.92 39 240 0.39 4 275 0.43 4 277 0.8 8 278 0.12 1 //