MassBank Record: JP001749



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

ACCESSION: JP001749
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID (BUTOXYCARBONYLMETHYL) BUTYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID (BUTOXYCARBONYLMETHYL) BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H24O6 CH$EXACT_MASS: 336.15729 CH$SMILES: CCCCOC(=O)COC(=O)c(c1)c(ccc1)C(=O)OCCCC CH$IUPAC: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
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: splash10-052b-7930000000-ffddf01f8e2f4d2f306d PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 4 18.27 183 29 9.37 94 41 12.32 123 42 1.93 19 43 1.92 19 44 0.34 3 49 1.45 15 55 2.5 25 56 18.67 187 57 34.9 349 58 1.27 13 60 2.14 21 61 1.31 13 65 0.27 3 73 0.52 5 76 0.63 6 77 35.1 351 78 0.71 7 87 0.34 3 93 0.8 8 101 0.3 3 104 6.42 64 105 5.97 60 106 0.53 5 114 0.13 1 121 1.56 16 122 1.34 13 123 0.43 4 132 6.75 68 133 24.9 249 134 1.72 17 135 0.56 6 147 0.1 1 148 0.14 1 149 99.99 999 150 11.43 114 151 1.31 13 157 0.24 2 160 2.42 24 161 0.32 3 162 1.01 10 163 0.7 7 203 0.23 2 204 0.29 3 205 4.61 46 206 0.73 7 207 9.23 92 208 1.12 11 209 0.11 1 263 40.02 400 264 5.76 58 265 0.81 8 281 0.89 9 282 0.11 1 336 0.22 2 //