MassBank Record: JP001759



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

ACCESSION: JP001759
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER CH$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$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03dj-2900000000-4cc3259411230c257b87 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 17 0.13 1 18 5.29 53 27 0.82 8 28 4.25 43 29 0.94 9 32 0.62 6 42 3.12 31 43 9.59 96 55 4.23 42 56 9.26 93 57 0.81 8 69 3.22 32 77 3.42 34 83 0.34 3 84 2.43 24 85 0.86 9 91 1.11 11 92 2.89 29 93 0.3 3 104 1.34 13 105 2.88 29 106 0.23 2 121 0.26 3 132 0.46 5 133 1.15 12 135 3.64 36 136 1.93 19 149 80.66 807 150 7.95 80 151 0.73 7 163 99.99 999 164 11.54 115 165 1.22 12 181 18.3 183 182 1.7 17 //