MassBank Record: JP001757



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

ACCESSION: JP001757
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER CH$NAME: METHYL(2-ETHYLHEXYL) PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H24O4 CH$EXACT_MASS: 292.16746 CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OC CH$IUPAC: InChI=1S/C17H24O4/c1-4-6-9-13(5-2)12-21-17(19)15-11-8-7-10-14(15)16(18)20-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
AC$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$SPLASH: splash10-03di-4900000000-6b3c26be16d0aaa7e0af PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 28 1.01 10 41 3.25 33 42 2.69 27 43 8.11 81 55 5.78 58 56 5.62 56 57 6.96 70 68 0.43 4 69 2.81 28 70 31.52 315 71 5.45 55 77 2.3 23 82 1.61 16 83 11.17 112 84 5.34 53 91 0.57 6 92 2.37 24 97 0.51 5 104 1.05 11 105 1.77 18 112 12.02 120 113 1.73 17 132 1.22 12 133 1.26 13 135 2.93 29 136 1.8 18 149 45.01 450 150 4.34 43 151 0.3 3 162 0.37 4 163 99.99 999 164 11.39 114 165 1.1 11 181 22.83 228 182 2.31 23 293 2.59 26 294 0.39 4 //