MassBank Record: JP001755



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

ACCESSION: JP001755
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BUTYL METHYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BUTYL METHYLESTER CH$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$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03dj-1900000000-9e11d3e82f5d12221cf1 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 28 0.38 4 29 2.27 23 41 4.36 44 42 0.34 3 43 1.19 12 55 0.64 6 56 7.38 74 57 2.37 24 65 0.65 7 76 0.55 6 77 6.81 68 78 0.47 5 79 0.83 8 91 2.95 30 92 7.24 72 93 1.5 15 104 3.22 32 105 8.08 81 106 0.96 10 112 0.86 9 118 0.57 6 119 0.16 2 120 1.04 10 121 1.67 17 122 0.58 6 123 0.69 7 132 0.83 8 133 3.29 33 134 0.43 4 135 8.8 88 136 3.44 34 137 0.31 3 147 0.82 8 148 0.14 1 149 74.03 740 150 8.58 86 151 0.97 10 160 0.73 7 161 0.23 2 163 99.99 999 164 18.67 187 165 2.14 21 166 0.1 1 181 19.39 194 182 1.88 19 183 0.21 2 191 0.12 1 205 3.2 32 206 0.41 4 207 0.18 2 225 0.1 1 236 1.98 20 237 7.49 75 238 1.02 10 239 0.11 1 //